Daily Papers

Invasive species in water bodies pose a major threat to the environment and biodiversity globally. Due to increased transportation and trade, non-native species have been introduced to new environments, causing damage to ecosystems and leading to economic losses in agriculture, forestry, and fisheries. Therefore, there is a pressing need for risk assessment and management techniques to mitigate the impact of these invasions. This study aims to develop a new physics-inspired model to forecast maritime shipping traffic and thus inform risk assessment of invasive species spread through global transportation networks. Inspired by the gravity model for international trades, our model considers various factors that influence the likelihood and impact of vessel activities, such as shipping flux density, distance between ports, trade flow, and centrality measures of transportation hubs. Additionally, by analyzing the risk network of invasive species, we provide a comprehensive framework for assessing the invasion threat level given a pair of origin and destination. Accordingly, this paper introduces transformers to gravity models to rebuild the short- and long-term dependencies that make the risk analysis feasible. Thus, we introduce a physics-inspired framework that achieves an 89% segmentation accuracy for existing and non-existing trajectories and an 84.8% accuracy for the number of vessels flowing between key port areas, representing more than 10% improvement over the traditional deep-gravity model. Along these lines, this research contributes to a better understanding of invasive species risk assessment. It allows policymakers, conservationists, and stakeholders to prioritize management actions by identifying high-risk invasion pathways. Besides, our model is versatile and can include new data sources, making it suitable for assessing species invasion risks in a changing global landscape.

We introduce a fully 3D, deep learning-based approach for the joint inversion of time-lapse surface gravity and seismic data for reconstructing subsurface density and velocity models. The target application of this proposed inversion approach is the prediction of subsurface CO2 plumes as a complementary tool for monitoring CO2 sequestration deployments. Our joint inversion technique outperforms deep learning-based gravity-only and seismic-only inversion models, achieving improved density and velocity reconstruction, accurate segmentation, and higher R-squared coefficients. These results indicate that deep learning-based joint inversion is an effective tool for CO_2 storage monitoring. Future work will focus on validating our approach with larger datasets, simulations with other geological storage sites, and ultimately field data.

We introduce Gravity, another algorithm for gradient-based optimization. In this paper, we explain how our novel idea change parameters to reduce the deep learning model's loss. It has three intuitive hyper-parameters that the best values for them are proposed. Also, we propose an alternative to moving average. To compare the performance of the Gravity optimizer with two common optimizers, Adam and RMSProp, five standard datasets were trained on two VGGNet models with a batch size of 128 for 100 epochs. Gravity hyper-parameters did not need to be tuned for different models. As will be explained more in the paper, to investigate the direct impact of the optimizer itself on loss reduction no overfitting prevention technique was used. The obtained results show that the Gravity optimizer has more stable performance than Adam and RMSProp and gives greater values of validation accuracy for datasets with more output classes like CIFAR-100 (Fine).

Scientific machine learning and the advent of the Physics-Informed Neural Network (PINN) show considerable potential in their capacity to identify solutions to complex differential equations. Over the past two years, much work has gone into the development of PINNs capable of solving the gravity field modeling problem -- i.e.\ learning a differentiable form of the gravitational potential from position and acceleration estimates. While the past PINN gravity models (PINN-GMs) have demonstrated advantages in model compactness, robustness to noise, and sample efficiency; there remain key modeling challenges which this paper aims to address. Specifically, this paper introduces the third generation of the Physics-Informed Neural Network Gravity Model (PINN-GM-III) which solves the problems of extrapolation error, bias towards low-altitude samples, numerical instability at high-altitudes, and compliant boundary conditions through numerous modifications to the model's design. The PINN-GM-III is tested by modeling a known heterogeneous density asteroid, and its performance is evaluated using seven core metrics which showcases its strengths against its predecessors and other analytic and numerical gravity models.

Foundation models are premised on the idea that sequence prediction can uncover deeper domain understanding, much like how Kepler's predictions of planetary motion later led to the discovery of Newtonian mechanics. However, evaluating whether these models truly capture deeper structure remains a challenge. We develop a technique for evaluating foundation models that examines how they adapt to synthetic datasets generated from some postulated world model. Our technique measures whether the foundation model's inductive bias aligns with the world model, and so we refer to it as an inductive bias probe. Across multiple domains, we find that foundation models can excel at their training tasks yet fail to develop inductive biases towards the underlying world model when adapted to new tasks. We particularly find that foundation models trained on orbital trajectories consistently fail to apply Newtonian mechanics when adapted to new physics tasks. Further analysis reveals that these models behave as if they develop task-specific heuristics that fail to generalize.

Deep learning has been actively applied to time series forecasting, leading to a deluge of new methods, belonging to the class of historical-value models. Yet, despite the attractive properties of time-index models, such as being able to model the continuous nature of underlying time series dynamics, little attention has been given to them. Indeed, while naive deep time-index models are far more expressive than the manually predefined function representations of classical time-index models, they are inadequate for forecasting, being unable to generalize to unseen time steps due to the lack of inductive bias. In this paper, we propose DeepTime, a meta-optimization framework to learn deep time-index models which overcome these limitations, yielding an efficient and accurate forecasting model. Extensive experiments on real world datasets in the long sequence time-series forecasting setting demonstrate that our approach achieves competitive results with state-of-the-art methods, and is highly efficient. Code is available at https://github.com/salesforce/DeepTime.

Initial value problems -- a system of ordinary differential equations and corresponding initial conditions -- can be used to describe many physical phenomena including those arise in classical mechanics. We have developed a novel approach to solve physics-based initial value problems using unsupervised machine learning. We propose a deep learning framework that models the dynamics of a variety of mechanical systems through neural networks. Our framework is flexible, allowing us to solve non-linear, coupled, and chaotic dynamical systems. We demonstrate the effectiveness of our approach on systems including a free particle, a particle in a gravitational field, a classical pendulum, and the H\'enon--Heiles system (a pair of coupled harmonic oscillators with a non-linear perturbation, used in celestial mechanics). Our results show that deep neural networks can successfully approximate solutions to these problems, producing trajectories which conserve physical properties such as energy and those with stationary action. We note that probabilistic activation functions, as defined in this paper, are required to learn any solutions of initial value problems in their strictest sense, and we introduce coupled neural networks to learn solutions of coupled systems.

Real-world time series are often governed by complex nonlinear dynamics. Understanding these underlying dynamics is crucial for precise future prediction. While deep learning has achieved major success in time series forecasting, many existing approaches do not explicitly model the dynamics. To bridge this gap, we introduce DeepEDM, a framework that integrates nonlinear dynamical systems modeling with deep neural networks. Inspired by empirical dynamic modeling (EDM) and rooted in Takens' theorem, DeepEDM presents a novel deep model that learns a latent space from time-delayed embeddings, and employs kernel regression to approximate the underlying dynamics, while leveraging efficient implementation of softmax attention and allowing for accurate prediction of future time steps. To evaluate our method, we conduct comprehensive experiments on synthetic data of nonlinear dynamical systems as well as real-world time series across domains. Our results show that DeepEDM is robust to input noise, and outperforms state-of-the-art methods in forecasting accuracy. Our code is available at: https://abrarmajeedi.github.io/deep_edm.

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

Physics-based numerical models have been the bedrock of atmospheric sciences for decades, offering robust solutions but often at the cost of significant computational resources. Deep learning (DL) models have emerged as powerful tools in meteorology, capable of analyzing complex weather and climate data by learning intricate dependencies and providing rapid predictions once trained. While these models demonstrate promising performance in weather prediction, often surpassing traditional physics-based methods, they still face critical challenges. This paper presents a comprehensive survey of recent deep learning and foundation models for weather prediction. We propose a taxonomy to classify existing models based on their training paradigms: deterministic predictive learning, probabilistic generative learning, and pre-training and fine-tuning. For each paradigm, we delve into the underlying model architectures, address major challenges, offer key insights, and propose targeted directions for future research. Furthermore, we explore real-world applications of these methods and provide a curated summary of open-source code repositories and widely used datasets, aiming to bridge research advancements with practical implementations while fostering open and trustworthy scientific practices in adopting cutting-edge artificial intelligence for weather prediction. The related sources are available at https://github.com/JimengShi/ DL-Foundation-Models-Weather.

The James Webb Space Telescope's (JWST) discovery of an unexpectedly high abundance of UV-bright galaxies at redshifts z > 10 poses a significant challenge to the standard LambdaCDM cosmology. This work tests whether this tension can be resolved solely by modifying the cosmological background, without invoking significant evolution in the astrophysical properties of early galaxies. We investigate an alternative framework featuring the presence of an anti-de Sitter vacuum in the dark energy sector, a model that naturally arises in quantum gravity models like string theory and can enhance early structure formation. Using a self-consistent semi-analytical model that couples galaxy evolution with reionization, we confront this scenario with a wide range of observations. We first show that while a model tailored to fit the high-z UV luminosity functions (UVLFs) shows promise, it is in strong tension with well-established cosmological constraints from the CMB and other low-redshift probes. Conversely, models within this framework that are consistent with these constraints provide only a modest boost to structure formation and fail to reproduce the observed JWST galaxy abundances at z > 10. While these models remain consistent with the cosmic reionization history, our primary result is that this class of cosmological modifications is insufficient on its own to explain the galaxy excess. Our study underscores the critical importance of holistic testing for any beyond-LambdaCDM proposal; apparent success in one observational regime does not guarantee overall viability. By demonstrating the limitations of a purely cosmological solution, our results strengthen the case that evolving astrophysical properties are a necessary ingredient for solving the challenge of early galaxy formation.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Deep models have achieved impressive progress in solving partial differential equations (PDEs). A burgeoning paradigm is learning neural operators to approximate the input-output mappings of PDEs. While previous deep models have explored the multiscale architectures and various operator designs, they are limited to learning the operators as a whole in the coordinate space. In real physical science problems, PDEs are complex coupled equations with numerical solvers relying on discretization into high-dimensional coordinate space, which cannot be precisely approximated by a single operator nor efficiently learned due to the curse of dimensionality. We present Latent Spectral Models (LSM) toward an efficient and precise solver for high-dimensional PDEs. Going beyond the coordinate space, LSM enables an attention-based hierarchical projection network to reduce the high-dimensional data into a compact latent space in linear time. Inspired by classical spectral methods in numerical analysis, we design a neural spectral block to solve PDEs in the latent space that approximates complex input-output mappings via learning multiple basis operators, enjoying nice theoretical guarantees for convergence and approximation. Experimentally, LSM achieves consistent state-of-the-art and yields a relative gain of 11.5% averaged on seven benchmarks covering both solid and fluid physics. Code is available at https://github.com/thuml/Latent-Spectral-Models.

Singular regular points often arise in differential equations describing physical phenomena such as fluid dynamics, electromagnetism, and gravitation. Traditional numerical techniques often fail or become unstable near these points, requiring the use of semi-analytical tools, such as series expansions and perturbative methods, in combination with numerical algorithms; or to invoke more sophisticated methods. In this work, we take an alternative route and leverage the power of machine learning to exploit Physics Informed Neural Networks (PINNs) as a modern approach to solving ordinary differential equations with singular points. PINNs utilize deep learning architectures to approximate solutions by embedding the differential equations into the loss function of the neural network. We discuss the advantages of PINNs in handling singularities, particularly their ability to bypass traditional grid-based methods and provide smooth approximations across irregular regions. Techniques for enhancing the accuracy of PINNs near singular points, such as adaptive loss weighting, are used in order to achieve high efficiency in the training of the network. We exemplify our results by studying four differential equations of interest in mathematics and gravitation -- the Legendre equation, the hypergeometric equation, the solution for black hole space-times in theories of Lorentz violating gravity, and the spherical accretion of a perfect fluid in a Schwarzschild geometry.

Time series modeling is a well-established problem, which often requires that methods (1) expressively represent complicated dependencies, (2) forecast long horizons, and (3) efficiently train over long sequences. State-space models (SSMs) are classical models for time series, and prior works combine SSMs with deep learning layers for efficient sequence modeling. However, we find fundamental limitations with these prior approaches, proving their SSM representations cannot express autoregressive time series processes. We thus introduce SpaceTime, a new state-space time series architecture that improves all three criteria. For expressivity, we propose a new SSM parameterization based on the companion matrix -- a canonical representation for discrete-time processes -- which enables SpaceTime's SSM layers to learn desirable autoregressive processes. For long horizon forecasting, we introduce a "closed-loop" variation of the companion SSM, which enables SpaceTime to predict many future time-steps by generating its own layer-wise inputs. For efficient training and inference, we introduce an algorithm that reduces the memory and compute of a forward pass with the companion matrix. With sequence length ell and state-space size d, we go from O(d ell) na\"ively to O(d + ell). In experiments, our contributions lead to state-of-the-art results on extensive and diverse benchmarks, with best or second-best AUROC on 6 / 7 ECG and speech time series classification, and best MSE on 14 / 16 Informer forecasting tasks. Furthermore, we find SpaceTime (1) fits AR(p) processes that prior deep SSMs fail on, (2) forecasts notably more accurately on longer horizons than prior state-of-the-art, and (3) speeds up training on real-world ETTh1 data by 73% and 80% relative wall-clock time over Transformers and LSTMs.

Recent advances in deep learning for physics have focused on discovering shared representations of target systems by incorporating physics priors or inductive biases into neural networks. While effective, these methods are limited to the system domain, where the type of system remains consistent and thus cannot ensure the adaptation to new, or unseen physical systems governed by different laws. For instance, a neural network trained on a mass-spring system cannot guarantee accurate predictions for the behavior of a two-body system or any other system with different physical laws. In this work, we take a significant leap forward by targeting cross domain generalization within the field of Hamiltonian dynamics. We model our system with a graph neural network and employ a meta learning algorithm to enable the model to gain experience over a distribution of tasks and make it adapt to new physics. Our approach aims to learn a unified Hamiltonian representation that is generalizable across multiple system domains, thereby overcoming the limitations of system-specific models. Our results demonstrate that the meta-trained model not only adapts effectively to new systems but also captures a generalized Hamiltonian representation that is consistent across different physical domains. Overall, through the use of meta learning, we offer a framework that achieves cross domain generalization, providing a step towards a unified model for understanding a wide array of dynamical systems via deep learning.

We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent representations when we train a GNN in a supervised setting, then we apply symbolic regression to components of the learned model to extract explicit physical relations. We find the correct known equations, including force laws and Hamiltonians, can be extracted from the neural network. We then apply our method to a non-trivial cosmology example-a detailed dark matter simulation-and discover a new analytic formula which can predict the concentration of dark matter from the mass distribution of nearby cosmic structures. The symbolic expressions extracted from the GNN using our technique also generalized to out-of-distribution data better than the GNN itself. Our approach offers alternative directions for interpreting neural networks and discovering novel physical principles from the representations they learn.

During a geosteering operation the well path is intentionally adjusted in response to the new data acquired while drilling. To achieve consistent high-quality decisions, especially when drilling in complex environments, decision support systems can help cope with high volumes of data and interpretation complexities. They can assimilate the real-time measurements into a probabilistic earth model and use the updated model for decision recommendations. Recently, machine learning (ML) techniques have enabled a wide range of methods that redistribute computational cost from on-line to off-line calculations. In this paper, we introduce two ML techniques into the geosteering decision support framework. Firstly, a complex earth model representation is generated using a Generative Adversarial Network (GAN). Secondly, a commercial extra-deep electromagnetic simulator is represented using a Forward Deep Neural Network (FDNN). The numerical experiments demonstrate that the combination of the GAN and the FDNN in an ensemble randomized maximum likelihood data assimilation scheme provides real-time estimates of complex geological uncertainty. This yields reduction of geological uncertainty ahead of the drill-bit from the measurements gathered behind and around the well bore.

Modern science emerged from reasoning over repeatedly-observed planetary motions. We present Gravity-Bench-v1, an environment-based benchmark that challenges AI agents on tasks that parallel this historical development. Gravity-Bench-v1 evaluates agents on the discovery of physics concealed within a dynamic environment, using rigorous gravitational dynamics simulations. Gravity-Bench includes out-of-distribution cases, i.e. with physics that deviates from the real world, to evaluate true scientific generalization capabilities. Agents must plan to collect data within an experimental budget and must perform a dynamic form of data analysis and reasoning to solve tasks efficiently. Our benchmark admits an open-ended space of solutions. PhD-level solutions for each task are provided, to calibrate AI performance against human expertise. Technically at an upper-undergraduate level, our benchmark proves challenging to baseline AI agents. Gravity-Bench-v1 and planned extensions should help map out AI progress towards scientific discovery capabilities.

Current deep learning models for dynamics forecasting struggle with generalization. They can only forecast in a specific domain and fail when applied to systems with different parameters, external forces, or boundary conditions. We propose a model-based meta-learning method called DyAd which can generalize across heterogeneous domains by partitioning them into different tasks. DyAd has two parts: an encoder which infers the time-invariant hidden features of the task with weak supervision, and a forecaster which learns the shared dynamics of the entire domain. The encoder adapts and controls the forecaster during inference using adaptive instance normalization and adaptive padding. Theoretically, we prove that the generalization error of such procedure is related to the task relatedness in the source domain, as well as the domain differences between source and target. Experimentally, we demonstrate that our model outperforms state-of-the-art approaches on both turbulent flow and real-world ocean data forecasting tasks.

We propose a general correspondence between gravity and spin models, inspired by the well-known IR equivalence between lattice gauge theories and the spin models. This suggests a connection between continuous type Hawking-phase transitions in gravity and the continuous order-disorder transitions in ferromagnets. The black-hole phase corresponds to the ordered and the graviton gas corresponds to the disordered phases respectively. A simple set-up based on Einstein-dilaton gravity indicates that the vicinity of the phase transition is governed by a linear-dilaton CFT. Employing this CFT we calculate scaling of observables near T_c, and obtain mean-field scaling in a semi-classical approximation. In case of the XY model the Goldstone mode is identified with the zero mode of the NS-NS two-form. We show that the second speed of sound vanishes at the transition also with the mean field exponent.

General-purpose large language models, despite their broad capabilities, often struggle with specialized domain knowledge, a limitation particularly pronounced in more accessible, lower-parameter versions. This gap hinders their deployment as effective agents in demanding fields such as astronomy. Building on our prior work with AstroSage-8B, this study introduces AstroSage-70B, a significantly larger and more advanced domain-specialized natural-language AI assistant. It is designed for research and education across astronomy, astrophysics, space science, astroparticle physics, cosmology, and astronomical instrumentation. Developed from the Llama-3.1-70B foundation, AstroSage-70B underwent extensive continued pre-training on a vast corpus of astronomical literature, followed by supervised fine-tuning and model merging. Beyond its 70-billion parameter scale, this model incorporates refined datasets, judiciously chosen learning hyperparameters, and improved training procedures, achieving state-of-the-art performance on complex astronomical tasks. Notably, we integrated reasoning chains into the SFT dataset, enabling AstroSage-70B to either answer the user query immediately, or first emit a human-readable thought process. Evaluated on the AstroMLab-1 benchmark -- comprising 4,425 questions from literature withheld during training -- AstroSage-70B achieves state-of-the-art performance. It surpasses all other tested open-weight and proprietary models, including leading systems like o3, Gemini-2.5-Pro, Claude-3.7-Sonnet, Deepseek-R1, and Qwen-3-235B, even those with API costs two orders of magnitude higher. This work demonstrates that domain specialization, when applied to large-scale models, can enable them to outperform generalist counterparts in specialized knowledge areas like astronomy, thereby advancing the frontier of AI capabilities in the field.

When solving inverse problems, it is increasingly popular to use pre-trained diffusion models as plug-and-play priors. This framework can accommodate different forward models without re-training while preserving the generative capability of diffusion models. Despite their success in many imaging inverse problems, most existing methods rely on privileged information such as derivative, pseudo-inverse, or full knowledge about the forward model. This reliance poses a substantial limitation that restricts their use in a wide range of problems where such information is unavailable, such as in many scientific applications. To address this issue, we propose Ensemble Kalman Diffusion Guidance (EnKG) for diffusion models, a derivative-free approach that can solve inverse problems by only accessing forward model evaluations and a pre-trained diffusion model prior. We study the empirical effectiveness of our method across various inverse problems, including scientific settings such as inferring fluid flows and astronomical objects, which are highly non-linear inverse problems that often only permit black-box access to the forward model.

Deep learning models are increasingly employed for perception, prediction, and control in complex systems. Embedding physical knowledge into these models is crucial for achieving realistic and consistent outputs, a challenge often addressed by physics-informed machine learning. However, integrating physical knowledge with representation learning becomes difficult when dealing with high-dimensional observation data, such as images, particularly under conditions of incomplete or imprecise state information. To address this, we propose Physically Interpretable World Models, a novel architecture that aligns learned latent representations with real-world physical quantities. Our method combines a variational autoencoder with a dynamical model that incorporates unknown system parameters, enabling the discovery of physically meaningful representations. By employing weak supervision with interval-based constraints, our approach eliminates the reliance on ground-truth physical annotations. Experimental results demonstrate that our method improves the quality of learned representations while achieving accurate predictions of future states, advancing the field of representation learning in dynamic systems.

Recent advancements in deep learning models for time series forecasting have been significant. These models often leverage fundamental time series properties such as seasonality and non-stationarity, which may suggest an intrinsic link between model performance and data properties. However, existing benchmark datasets fail to offer diverse and well-defined temporal patterns, restricting the systematic evaluation of such connections. Additionally, there is no effective model recommendation approach, leading to high time and cost expenditures when testing different architectures across different downstream applications. For those reasons, we propose ARIES, a framework for assessing relation between time series properties and modeling strategies, and for recommending deep forcasting models for realistic time series. First, we construct a synthetic dataset with multiple distinct patterns, and design a comprehensive system to compute the properties of time series. Next, we conduct an extensive benchmarking of over 50 forecasting models, and establish the relationship between time series properties and modeling strategies. Our experimental results reveal a clear correlation. Based on these findings, we propose the first deep forecasting model recommender, capable of providing interpretable suggestions for real-world time series. In summary, ARIES is the first study to establish the relations between the properties of time series data and modeling strategies, while also implementing a model recommendation system. The code is available at: https://github.com/blisky-li/ARIES.

We introduce Einstein Fields, a neural representation that is designed to compress computationally intensive four-dimensional numerical relativity simulations into compact implicit neural network weights. By modeling the metric, which is the core tensor field of general relativity, Einstein Fields enable the derivation of physical quantities via automatic differentiation. However, unlike conventional neural fields (e.g., signed distance, occupancy, or radiance fields), Einstein Fields are Neural Tensor Fields with the key difference that when encoding the spacetime geometry of general relativity into neural field representations, dynamics emerge naturally as a byproduct. Einstein Fields show remarkable potential, including continuum modeling of 4D spacetime, mesh-agnosticity, storage efficiency, derivative accuracy, and ease of use. We address these challenges across several canonical test beds of general relativity and release an open source JAX-based library, paving the way for more scalable and expressive approaches to numerical relativity. Code is made available at https://github.com/AndreiB137/EinFields

Deep neural networks (DNN) have shown great capacity of modeling a dynamical system; nevertheless, they usually do not obey physics constraints such as conservation laws. This paper proposes a new learning framework named ConCerNet to improve the trustworthiness of the DNN based dynamics modeling to endow the invariant properties. ConCerNet consists of two steps: (i) a contrastive learning method to automatically capture the system invariants (i.e. conservation properties) along the trajectory observations; (ii) a neural projection layer to guarantee that the learned dynamics models preserve the learned invariants. We theoretically prove the functional relationship between the learned latent representation and the unknown system invariant function. Experiments show that our method consistently outperforms the baseline neural networks in both coordinate error and conservation metrics by a large margin. With neural network based parameterization and no dependence on prior knowledge, our method can be extended to complex and large-scale dynamics by leveraging an autoencoder.

Implicit layer deep learning techniques, like Neural Differential Equations, have become an important modeling framework due to their ability to adapt to new problems automatically. Training a neural differential equation is effectively a search over a space of plausible dynamical systems. However, controlling the computational cost for these models is difficult since it relies on the number of steps the adaptive solver takes. Most prior works have used higher-order methods to reduce prediction timings while greatly increasing training time or reducing both training and prediction timings by relying on specific training algorithms, which are harder to use as a drop-in replacement due to strict requirements on automatic differentiation. In this manuscript, we use internal cost heuristics of adaptive differential equation solvers at stochastic time points to guide the training toward learning a dynamical system that is easier to integrate. We "close the black-box" and allow the use of our method with any adjoint technique for gradient calculations of the differential equation solution. We perform experimental studies to compare our method to global regularization to show that we attain similar performance numbers without compromising the flexibility of implementation on ordinary differential equations (ODEs) and stochastic differential equations (SDEs). We develop two sampling strategies to trade off between performance and training time. Our method reduces the number of function evaluations to 0.556-0.733x and accelerates predictions by 1.3-2x.

In this paper, we present a novel approach to accelerate the Bayesian inference process, focusing specifically on the nested sampling algorithms. Bayesian inference plays a crucial role in cosmological parameter estimation, providing a robust framework for extracting theoretical insights from observational data. However, its computational demands can be substantial, primarily due to the need for numerous likelihood function evaluations. Our proposed method utilizes the power of deep learning, employing feedforward neural networks to approximate the likelihood function dynamically during the Bayesian inference process. Unlike traditional approaches, our method trains neural networks on-the-fly using the current set of live points as training data, without the need for pre-training. This flexibility enables adaptation to various theoretical models and datasets. We perform simple hyperparameter optimization using genetic algorithms to suggest initial neural network architectures for learning each likelihood function. Once sufficient accuracy is achieved, the neural network replaces the original likelihood function. The implementation integrates with nested sampling algorithms and has been thoroughly evaluated using both simple cosmological dark energy models and diverse observational datasets. Additionally, we explore the potential of genetic algorithms for generating initial live points within nested sampling inference, opening up new avenues for enhancing the efficiency and effectiveness of Bayesian inference methods.

The measurements of the temperature and polarisation anisotropies of the Cosmic Microwave Background (CMB) by the ESA Planck mission have strongly supported the current concordance model of cosmology. However, the latest cosmological data release from ESA Planck mission still has a powerful potential to test new data science algorithms and inference techniques. In this paper, we use advanced Machine Learning (ML) algorithms, such as Neural Networks (NNs), to discern among different underlying cosmological models at the angular power spectra level, using both temperature and polarisation Planck 18 data. We test two different models beyond LambdaCDM: a modified gravity model: the Hu-Sawicki model, and an alternative inflationary model: a feature-template in the primordial power spectrum. Furthermore, we also implemented an interpretability method based on SHAP values to evaluate the learning process and identify the most relevant elements that drive our architecture to certain outcomes. We find that our NN is able to distinguish between different angular power spectra successfully for both alternative models and LambdaCDM. We conclude by explaining how archival scientific data has still a strong potential to test novel data science algorithms that are interesting for the next generation of cosmological experiments.

We present a new method for measuring the E_G statistic that combines two CMB secondaries -- the kinematic Sunyaev-Zeldovich (kSZ) effect and CMB lensing -- for the first time to probe gravity on linear scales. The E_G statistic is a discriminating tool for modified gravity theories, which leave imprints in lensing observables and peculiar velocities. Existing E_G measurements rely on redshift space distortions (RSD) to infer the velocity field. Here, we employ kSZ velocity-reconstruction instead of RSD, a complementary technique that constrains the largest-scale modes better than the galaxy survey it uses. We construct a novel V_G estimator that involves a ratio between cross-correlations of a galaxy sample with a CMB convergence map and that with a 3D kSZ-reconstructed velocity field. We forecast for current and upcoming CMB maps from the Atacama Cosmology Telescope (ACT) and the Simons Observatory (SO), respectively, in combination with three spectroscopic galaxy samples from the Dark Energy Spectroscopic Instrument (DESI). We find cumulative detection significances in the range S/N sim 20-55, which can robustly test the scale-independent E_G prediction under general relativity (GR) at different effective redshifts of the galaxy samples (zapprox 0.73, 1.33, 1.84). In particular, the SOtimesDESI LRG measurement would be able to distinguish between GR and certain modified gravity models, including Hu-Sawicki f(R) and Chameleon theories, with high confidence. The proposed V_G estimator opens up a new avenue for stress-testing gravity and the LambdaCDM+GR model at the largest observable scales.

The rapid progress of Transformers in artificial intelligence has come at the cost of increased resource consumption and greenhouse gas emissions due to growing model sizes. Prior work suggests using pretrained small models to improve training efficiency, but this approach may not be suitable for new model structures. On the other hand, training from scratch can be slow, and progressively stacking layers often fails to achieve significant acceleration. To address these challenges, we propose a novel method called Apollo, which prepares lessons for expanding operations by learning high-layer functionality during training of low layers. Our approach involves low-value-prioritized sampling (LVPS) to train different depths and weight sharing to facilitate efficient expansion. We also introduce an interpolation method for stable model depth extension. Experiments demonstrate that Apollo achieves state-of-the-art acceleration ratios, even rivaling methods using pretrained models, making it a universal and efficient solution for training deep models while reducing time, financial, and environmental costs.

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum mathcal L_2 relative error observed was approximately 6.5%. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the (mu + 2sigma) boundary was found to be 12%. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

There has been much interest in accurate cryptocurrency price forecast models by investors and researchers. Deep Learning models are prominent machine learning techniques that have transformed various fields and have shown potential for finance and economics. Although various deep learning models have been explored for cryptocurrency price forecasting, it is not clear which models are suitable due to high market volatility. In this study, we review the literature about deep learning for cryptocurrency price forecasting and evaluate novel deep learning models for cryptocurrency stock price prediction. Our deep learning models include variants of long short-term memory (LSTM) recurrent neural networks, variants of convolutional neural networks (CNNs), and the Transformer model. We evaluate univariate and multivariate approaches for multi-step ahead predicting of cryptocurrencies close-price. We also carry out volatility analysis on the four cryptocurrencies which reveals significant fluctuations in their prices throughout the COVID-19 pandemic. Additionally, we investigate the prediction accuracy of two scenarios identified by different training sets for the models. First, we use the pre-COVID-19 datasets to model cryptocurrency close-price forecasting during the early period of COVID-19. Secondly, we utilise data from the COVID-19 period to predict prices for 2023 to 2024. Our results show that the convolutional LSTM with a multivariate approach provides the best prediction accuracy in two major experimental settings. Our results also indicate that the multivariate deep learning models exhibit better performance in forecasting four different cryptocurrencies when compared to the univariate models.

We introduce Diffusion World Model (DWM), a conditional diffusion model capable of predicting multistep future states and rewards concurrently. As opposed to traditional one-step dynamics models, DWM offers long-horizon predictions in a single forward pass, eliminating the need for recursive quires. We integrate DWM into model-based value estimation, where the short-term return is simulated by future trajectories sampled from DWM. In the context of offline reinforcement learning, DWM can be viewed as a conservative value regularization through generative modeling. Alternatively, it can be seen as a data source that enables offline Q-learning with synthetic data. Our experiments on the D4RL dataset confirm the robustness of DWM to long-horizon simulation. In terms of absolute performance, DWM significantly surpasses one-step dynamics models with a 44% performance gain, and achieves state-of-the-art performance.

The dynamical realisation of the equation of state p +rho =0 is studied. A non-pathological dynamics for the perturbations of such a system mimicking a dynamical cosmological constant (DCC) requires to go beyond the perfect fluid paradigm. It is shown that an anisotropic stress must be always present. The Hamiltonian of the system in isolation resembles the one of a Pais-Uhlenbeck oscillator and linear stability requires that it cannot be positive definite. The dynamics of linear cosmological perturbations in a DCC dominated Universe is studied in detail showing that when DCC is minimally coupled to gravity no dramatic instability is present. In contrast to what happens in a cosmological constant dominated Universe, the non-relativistic matter contrast is no longer constant and exhibits an oscillator behaviour at small scales while it grows weakly at large scales. In the gravitational waves sector, at small scales, the amplitude is still suppressed as the inverse power of the scale factor while it grows logarithmically at large scales. Also the vector modes propagate, though no growing mode is found.

The work focuses on gathering high-fidelity and low-fidelity numerical simulations data using Nektar++ (Solver based on Applied Mathematics) and XFOIL respectively. The utilization of the higher polynomial distribution in calculating the Coefficient of lift and drag has demonstrated superior accuracy and precision. Further, Co-kriging Data fusion and Adaptive sampling technique has been used to obtain the precise data predictions for the lift and drag within the confined domain without conducting the costly simulations on HPC clusters. This creates a methodology to quantifying uncertainty in computational fluid dynamics by minimizing the required number of samples. To minimize the reliability on high-fidelity numerical simulations in Uncertainty Quantification, a multi-fidelity strategy has been adopted. The effectiveness of the multi-fidelity deep neural network model has been validated through the approximation of benchmark functions across 1-, 32-, and 100-dimensional, encompassing both linear and nonlinear correlations. The surrogate modelling results showed that multi-fidelity deep neural network model has shown excellent approximation capabilities for the test functions and multi-fidelity deep neural network method has outperformed Co-kriging in effectiveness. In addition to that, multi-fidelity deep neural network model is utilized for the simulation of aleatory uncertainty propagation in 1-, 32-, and 100 dimensional function test, considering both uniform and Gaussian distributions for input uncertainties. The results have shown that multi-fidelity deep neural network model has efficiently predicted the probability density distributions of quantities of interest as well as the statistical moments with precision and accuracy. The Co-Kriging model has exhibited limitations when addressing 32-Dimension problems due to the limitation of memory capacity for storage and manipulation.

Methane (CH_4) is the second most powerful greenhouse gas after carbon dioxide and plays a crucial role in climate change due to its high global warming potential. Accurately modeling CH_4 fluxes across the globe and at fine temporal scales is essential for understanding its spatial and temporal variability and developing effective mitigation strategies. In this work, we introduce the first-of-its-kind cross-scale global wetland methane benchmark dataset (X-MethaneWet), which synthesizes physics-based model simulation data from TEM-MDM and the real-world observation data from FLUXNET-CH_4. This dataset can offer opportunities for improving global wetland CH_4 modeling and science discovery with new AI algorithms. To set up AI model baselines for methane flux prediction, we evaluate the performance of various sequential deep learning models on X-MethaneWet. Furthermore, we explore four different transfer learning techniques to leverage simulated data from TEM-MDM to improve the generalization of deep learning models on real-world FLUXNET-CH_4 observations. Our extensive experiments demonstrate the effectiveness of these approaches, highlighting their potential for advancing methane emission modeling and contributing to the development of more accurate and scalable AI-driven climate models.

The accessibility of spatially distributed data, enabled by affordable sensors, field, and numerical experiments, has facilitated the development of data-driven solutions for scientific problems, including climate change, weather prediction, and urban planning. Neural Partial Differential Equations (Neural PDEs), which combine deep learning (DL) techniques with domain expertise (e.g., governing equations) for parameterization, have proven to be effective in capturing valuable correlations within spatiotemporal datasets. However, sparse and noisy measurements coupled with modeling approximation introduce aleatoric and epistemic uncertainties. Therefore, quantifying uncertainties propagated from model inputs to outputs remains a challenge and an essential goal for establishing the trustworthiness of Neural PDEs. This work evaluates various Uncertainty Quantification (UQ) approaches for both Forward and Inverse Problems in scientific applications. Specifically, we investigate the effectiveness of Bayesian methods, such as Hamiltonian Monte Carlo (HMC) and Monte-Carlo Dropout (MCD), and a more conventional approach, Deep Ensembles (DE). To illustrate their performance, we take two canonical PDEs: Burger's equation and the Navier-Stokes equation. Our results indicate that Neural PDEs can effectively reconstruct flow systems and predict the associated unknown parameters. However, it is noteworthy that the results derived from Bayesian methods, based on our observations, tend to display a higher degree of certainty in their predictions as compared to those obtained using the DE. This elevated certainty in predictions suggests that Bayesian techniques might underestimate the true underlying uncertainty, thereby appearing more confident in their predictions than the DE approach.

We study the inflationary phenomenology of a rescaled Einstein-Gauss-Bonnet gravity. In this framework, the gravitational constant of the Einstein-Hilbert term is rescaled due to effective terms active in the high curvature era. Basically, the total theory is an F(R,G,phi) theory with the Gauss-Bonnet part contributing only a non-minimal coupling to the scalar field, so it is a theory with string theory origins and with a non-trivial F(R) gravity part. The F(R) gravity part in the high curvature regime contributes only a rescaled Einstein-Hilbert term and thus the resulting theory is effectively a rescaled version of a standard Einstein-Gauss-Bonnet theory. We develop the formalism of rescaled Einstein-Gauss-Bonnet gravity, taking in account the GW170817 constraints on the gravitational wave speed. We show explicitly how the rescaled theory affects directly the primordial scalar and tensor perturbations, and how the slow-roll and observational indices of inflation are affected by the rescaling of the theory. We perform a thorough phenomenological analysis of several models of interest and we show that is it possible to obtain viable inflationary theories compatible with the latest Planck data. Also among the studied models there are cases that yield a relatively large blue tilted tensor spectral index and we demonstrate that these models can lead to detectable primordial gravitational waves in the future gravitational wave experiments. Some of the scenarios examined, for specific values of the reheating temperature may be detectable by SKA, LISA, BBO, DECIGO and the Einstein Telescope.

Data assimilation (DA), as an indispensable component within contemporary Numerical Weather Prediction (NWP) systems, plays a crucial role in generating the analysis that significantly impacts forecast performance. Nevertheless, the development of an efficient DA system poses significant challenges, particularly in establishing intricate relationships between the background data and the vast amount of multi-source observation data within limited time windows in operational settings. To address these challenges, researchers design complex pre-processing methods for each observation type, leveraging approximate modeling and the power of super-computing clusters to expedite solutions. The emergence of deep learning (DL) models has been a game-changer, offering unified multi-modal modeling, enhanced nonlinear representation capabilities, and superior parallelization. These advantages have spurred efforts to integrate DL models into various domains of weather modeling. Remarkably, DL models have shown promise in matching, even surpassing, the forecast accuracy of leading operational NWP models worldwide. This success motivates the exploration of DL-based DA frameworks tailored for weather forecasting models. In this study, we introduces FuxiDA, a generalized DL-based DA framework for assimilating satellite observations. By assimilating data from Advanced Geosynchronous Radiation Imager (AGRI) aboard Fengyun-4B, FuXi-DA consistently mitigates analysis errors and significantly improves forecast performance. Furthermore, through a series of single-observation experiments, Fuxi-DA has been validated against established atmospheric physics, demonstrating its consistency and reliability.

This study investigates the application of deep residual networks for predicting the dynamics of interacting three-dimensional rigid bodies. We present a framework combining a 3D physics simulator implemented in C++ with a deep learning model constructed using PyTorch. The simulator generates training data encompassing linear and angular motion, elastic collisions, fluid friction, gravitational effects, and damping. Our deep residual network, consisting of an input layer, multiple residual blocks, and an output layer, is designed to handle the complexities of 3D dynamics. We evaluate the network's performance using a datasetof 10,000 simulated scenarios, each involving 3-5 interacting rigid bodies. The model achieves a mean squared error of 0.015 for position predictions and 0.022 for orientation predictions, representing a 25% improvement over baseline methods. Our results demonstrate the network's ability to capture intricate physical interactions, with particular success in predicting elastic collisions and rotational dynamics. This work significantly contributes to physics-informed machine learning by showcasing the immense potential of deep residual networks in modeling complex 3D physical systems. We discuss our approach's limitations and propose future directions for improving generalization to more diverse object shapes and materials.

We reassess the realistic discovery reach of Solar-System experiments for dark energy (DE) and dark matter (DM), making explicit the bridge from cosmology-level linear responses to local, screened residuals. In scalar-tensor frameworks with a universal conformal coupling A(phi) and chameleon/Vainshtein screening, we map cosmological responses {mu(z,k),Sigma(z,k)} inferred by DESI and Euclid to thin-shell or Vainshtein residuals in deep Solar potentials Phi_N. We emphasize a two-branch strategy. In a detection-first branch, a verified local anomaly -- an Einstein equivalence principle (EEP) violation, a Shapiro-delay signal with |gamma-1|simfewtimes 10^{-6}, an AU-scale Yukawa tail, or a ultralight DM (ULDM) line in clocks/atom interferometers in space (AIS) -- triggers a joint refit of cosmology and Solar-System data under a common microphysical parameterization {V(phi),A(phi)}. In a guardrail branch, Solar-System tests enforce constraints (EEP; PPN parameters gamma,beta; and dot G/G) and close unscreened or weakly screened corners indicated by cosmology. We forecast, per conjunction, |gamma-1|lesssim (2-5)times 10^{-6} (Ka-/X-band or optical Shapiro), eta_{EEP}sim (1--10)times 10^{-17} (drag-free AIS), |dot G/G|sim(3-5)times10^{-15},yr^{-1} (sub-mm-class LLR), a uniform ~2x tightening of AU-scale Yukawa/DM-density bounds, and (3-10)times improved ULDM-coupling reach from clocks. For a conformal benchmark, mu_{ lin,0}=0.10 implies chisimeq mu_{lin,0/2} and a Sun thin shell Delta R/Rlesssim (1/3chi)|gamma-1|/2=2.4times 10^{-3} at |gamma-1|=5times 10^{-6}; Vainshtein screening at 1 AU yields |gamma-1|lesssim 10^{-11}, naturally below near-term reach. We recommend a cost-effective guardrail+discovery portfolio with explicit triggers for escalation to dedicated missions.

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

Accurately describing the distribution of CO_2 in the atmosphere with atmospheric tracer transport models is essential for greenhouse gas monitoring and verification support systems to aid implementation of international climate agreements. Large deep neural networks are poised to revolutionize weather prediction, which requires 3D modeling of the atmosphere. While similar in this regard, atmospheric transport modeling is subject to new challenges. Both, stable predictions for longer time horizons and mass conservation throughout need to be achieved, while IO plays a larger role compared to computational costs. In this study we explore four different deep neural networks (UNet, GraphCast, Spherical Fourier Neural Operator and SwinTransformer) which have proven as state-of-the-art in weather prediction to assess their usefulness for atmospheric tracer transport modeling. For this, we assemble the CarbonBench dataset, a systematic benchmark tailored for machine learning emulators of Eulerian atmospheric transport. Through architectural adjustments, we decouple the performance of our emulators from the distribution shift caused by a steady rise in atmospheric CO_2. More specifically, we center CO_2 input fields to zero mean and then use an explicit flux scheme and a mass fixer to assure mass balance. This design enables stable and mass conserving transport for over 6 months with all four neural network architectures. In our study, the SwinTransformer displays particularly strong emulation skill (90-day R^2 > 0.99), with physically plausible emulation even for forward runs of multiple years. This work paves the way forward towards high resolution forward and inverse modeling of inert trace gases with neural networks.

Advancements in computing power have made it possible to numerically simulate large-scale fluid-mechanical and/or particulate systems, many of which are integral to core industrial processes. Among the different numerical methods available, the discrete element method (DEM) provides one of the most accurate representations of a wide range of physical systems involving granular and discontinuous materials. Consequently, DEM has become a widely accepted approach for tackling engineering problems connected to granular flows and powder mechanics. Additionally, DEM can be integrated with grid-based computational fluid dynamics (CFD) methods, enabling the simulation of chemical processes taking place, e.g., in fluidized beds. However, DEM is computationally intensive because of the intrinsic multiscale nature of particulate systems, restricting simulation duration or number of particles. Towards this end, NeuralDEM presents an end-to-end approach to replace slow numerical DEM routines with fast, adaptable deep learning surrogates. NeuralDEM is capable of picturing long-term transport processes across different regimes using macroscopic observables without any reference to microscopic model parameters. First, NeuralDEM treats the Lagrangian discretization of DEM as an underlying continuous field, while simultaneously modeling macroscopic behavior directly as additional auxiliary fields. Second, NeuralDEM introduces multi-branch neural operators scalable to real-time modeling of industrially-sized scenarios - from slow and pseudo-steady to fast and transient. Such scenarios have previously posed insurmountable challenges for deep learning models. Notably, NeuralDEM faithfully models coupled CFD-DEM fluidized bed reactors of 160k CFD cells and 500k DEM particles for trajectories of 28s. NeuralDEM will open many new doors to advanced engineering and much faster process cycles.

Deep neural networks have become increasingly of interest in dynamical system prediction, but out-of-distribution generalization and long-term stability still remains challenging. In this work, we treat the domain parameters of dynamical systems as factors of variation of the data generating process. By leveraging ideas from supervised disentanglement and causal factorization, we aim to separate the domain parameters from the dynamics in the latent space of generative models. In our experiments we model dynamics both in phase space and in video sequences and conduct rigorous OOD evaluations. Results indicate that disentangled VAEs adapt better to domain parameters spaces that were not present in the training data. At the same time, disentanglement can improve the long-term and out-of-distribution predictions of state-of-the-art models in video sequences.

We apply a physics-informed deep-learning approach the PINN approach to the Black-Scholes equation for pricing American and European options. We test our approach on both simulated as well as real market data, compare it to analytical/numerical benchmarks. Our model is able to accurately capture the price behaviour on simulation data, while also exhibiting reasonable performance for market data. We also experiment with the architecture and learning process of our PINN model to provide more understanding of convergence and stability issues that impact performance.

We investigate an experiential learning paradigm for acquiring an internal model of intuitive physics. Our model is evaluated on a real-world robotic manipulation task that requires displacing objects to target locations by poking. The robot gathered over 400 hours of experience by executing more than 100K pokes on different objects. We propose a novel approach based on deep neural networks for modeling the dynamics of robot's interactions directly from images, by jointly estimating forward and inverse models of dynamics. The inverse model objective provides supervision to construct informative visual features, which the forward model can then predict and in turn regularize the feature space for the inverse model. The interplay between these two objectives creates useful, accurate models that can then be used for multi-step decision making. This formulation has the additional benefit that it is possible to learn forward models in an abstract feature space and thus alleviate the need of predicting pixels. Our experiments show that this joint modeling approach outperforms alternative methods.

Deep Learning (DL) has shown remarkable results in solving inverse problems in various domains. In particular, the Tikhonet approach is very powerful to deconvolve optical astronomical images (Sureau et al. 2020). Yet, this approach only uses the ell_2 loss, which does not guarantee the preservation of physical information (e.g. flux and shape) of the object reconstructed in the image. In Nammour et al. (2021), a new loss function was proposed in the framework of sparse deconvolution, which better preserves the shape of galaxies and reduces the pixel error. In this paper, we extend Tikhonet to take into account this shape constraint, and apply our new DL method, called ShapeNet, to optical and radio-interferometry simulated data set. The originality of the paper relies on i) the shape constraint we use in the neural network framework, ii) the application of deep learning to radio-interferometry image deconvolution for the first time, and iii) the generation of a simulated radio data set that we make available for the community. A range of examples illustrates the results.

A World Model is a generative model used to simulate an environment. World Models have proven capable of learning spatial and temporal representations of Reinforcement Learning environments. In some cases, a World Model offers an agent the opportunity to learn entirely inside of its own dream environment. In this work we explore improving the generalization capabilities from dream environments to real environments (Dream2Real). We present a general approach to improve a controller's ability to transfer from a neural network dream environment to reality at little additional cost. These improvements are gained by drawing on inspiration from Domain Randomization, where the basic idea is to randomize as much of a simulator as possible without fundamentally changing the task at hand. Generally, Domain Randomization assumes access to a pre-built simulator with configurable parameters but oftentimes this is not available. By training the World Model using dropout, the dream environment is capable of creating a nearly infinite number of different dream environments. Previous use cases of dropout either do not use dropout at inference time or averages the predictions generated by multiple sampled masks (Monte-Carlo Dropout). Dropout's Dream Land leverages each unique mask to create a diverse set of dream environments. Our experimental results show that Dropout's Dream Land is an effective technique to bridge the reality gap between dream environments and reality. Furthermore, we additionally perform an extensive set of ablation studies.

Time series, characterized by a sequence of data points organized in a discrete-time order, are ubiquitous in real-world scenarios. Unlike other data modalities, time series present unique challenges due to their intricate and dynamic nature, including the entanglement of nonlinear patterns and time-variant trends. Analyzing such data is of great significance in practical applications and has been extensively studied for centuries. Recent years have witnessed remarkable breakthroughs in the time series community, with techniques shifting from traditional statistical methods to contemporary deep learning models. In this paper, we delve into the design of deep time series models across various analysis tasks and review the existing literature from two perspectives: basic modules and model architectures. Further, we develop and release Time Series Library (TSLib) as a fair benchmark of deep time series models for diverse analysis tasks. TSLib implements 30 prominent models, covers 30 datasets from different domains, and supports five prevalent analysis tasks. Based on TSLib, we thoroughly evaluate 13 advanced deep time series models across diverse tasks. Empirical results indicate that models with specific structures are well-suited for distinct analytical tasks, providing insights for research and adoption of deep time series models. Code and datasets are available at https://github.com/thuml/Time-Series-Library.

In this work, we generalize the reaction-diffusion equation in statistical physics, Schr\"odinger equation in quantum mechanics, Helmholtz equation in paraxial optics into the neural partial differential equations (NPDE), which can be considered as the fundamental equations in the field of artificial intelligence research. We take finite difference method to discretize NPDE for finding numerical solution, and the basic building blocks of deep neural network architecture, including multi-layer perceptron, convolutional neural network and recurrent neural networks, are generated. The learning strategies, such as Adaptive moment estimation, L-BFGS, pseudoinverse learning algorithms and partial differential equation constrained optimization, are also presented. We believe it is of significance that presented clear physical image of interpretable deep neural networks, which makes it be possible for applying to analog computing device design, and pave the road to physical artificial intelligence.

We focus on solving the univariate times series point forecasting problem using deep learning. We propose a deep neural architecture based on backward and forward residual links and a very deep stack of fully-connected layers. The architecture has a number of desirable properties, being interpretable, applicable without modification to a wide array of target domains, and fast to train. We test the proposed architecture on several well-known datasets, including M3, M4 and TOURISM competition datasets containing time series from diverse domains. We demonstrate state-of-the-art performance for two configurations of N-BEATS for all the datasets, improving forecast accuracy by 11% over a statistical benchmark and by 3% over last year's winner of the M4 competition, a domain-adjusted hand-crafted hybrid between neural network and statistical time series models. The first configuration of our model does not employ any time-series-specific components and its performance on heterogeneous datasets strongly suggests that, contrarily to received wisdom, deep learning primitives such as residual blocks are by themselves sufficient to solve a wide range of forecasting problems. Finally, we demonstrate how the proposed architecture can be augmented to provide outputs that are interpretable without considerable loss in accuracy.

Gravitational-wave approximants are essential for gravitational-wave astronomy, allowing the coverage binary black hole parameter space for inference or match filtering without costly numerical relativity (NR) simulations, but generally trading some accuracy for computational efficiency. To reduce this trade-off, NR surrogate models can be constructed using interpolation within NR waveform space. We present a 2-stage training approach for neural network-based NR surrogate models. Initially trained on approximant-generated waveforms and then fine-tuned with NR data, these dual-stage artificial neural surrogate (DANSur) models offer rapid and competitively accurate waveform generation, generating millions in under 20ms on a GPU while keeping mean mismatches with NR around 10^{-4}. Implemented in the bilby framework, we show they can be used for parameter estimation tasks.

The purported "black box" nature of neural networks is a barrier to adoption in applications where interpretability is essential. Here we present DeepLIFT (Deep Learning Important FeaTures), a method for decomposing the output prediction of a neural network on a specific input by backpropagating the contributions of all neurons in the network to every feature of the input. DeepLIFT compares the activation of each neuron to its 'reference activation' and assigns contribution scores according to the difference. By optionally giving separate consideration to positive and negative contributions, DeepLIFT can also reveal dependencies which are missed by other approaches. Scores can be computed efficiently in a single backward pass. We apply DeepLIFT to models trained on MNIST and simulated genomic data, and show significant advantages over gradient-based methods. Video tutorial: http://goo.gl/qKb7pL, ICML slides: bit.ly/deeplifticmlslides, ICML talk: https://vimeo.com/238275076, code: http://goo.gl/RM8jvH.

We introduce a novel deep learning framework based on Long Short-Term Memory (LSTM) networks to predict galactic cosmic-ray spectra on a one-day-ahead basis by leveraging historical solar activity data, overcoming limitations inherent in traditional transport models. By flexibly incorporating multiple solar parameters, such as the heliospheric magnetic field, solar wind speed, and sunspot numbers, our model achieves accurate short-term and long-term predictions of cosmic-ray flux. The addition of historical cosmic-ray flux data significantly enhances prediction accuracy, allowing the model to capture complex dependencies between past and future flux variations. Additionally, the model reliably predicts full cosmic-ray spectra for different particle species, enhancing its utility for comprehensive space weather forecasting. Our approach offers a scalable, data-driven alternative to traditional physics-based methods, ensuring robust daily and long-term forecasts. This work opens avenues for advanced models that can integrate broader observational data, with significant implications for space weather monitoring and mission planning.

In this article, we consider a newly proposed parameterization of the viscosity coefficient zeta, specifically zeta=zeta_0 {Omega^s_m} H , where zeta_0 = zeta_0{{Omega^s_{m_0}}} within the coincident f(Q) gravity formalism. We consider a non-linear function f(Q)= -Q +alpha Q^n, where alpha and n are arbitrary model parameters, which is a power-law correction to the STEGR scenario. We find an autonomous system by invoking the dimensionless density parameters as the governing phase-space variables. We discuss the physical significance of the model corresponding to the parameter choices n=-1 and n=2 along with the exponent choices s=0, 0.5, and 1.05. We find that model I shows the stable de-Sitter type or stable phantom type (depending on the choice of exponent s) behavior with no transition epoch, whereas model II shows the evolutionary phase from the radiation epoch to the accelerated de-Sitter epoch via passing through the matter-dominated epoch. Hence, we conclude that model I provides a good description of the late-time cosmology but fails to describe the transition epoch, whereas model II modifies the description in the context of the early universe and provides a good description of the matter and radiation era along with the transition phase.

In recent years, applying deep learning to solve physics problems has attracted much attention. Data-driven deep learning methods produce fast numerical operators that can learn approximate solutions to the whole system of partial differential equations (i.e., surrogate modeling). Although these neural networks may have lower accuracy than traditional numerical methods, they, once trained, are orders of magnitude faster at inference. Hence, one crucial feature is that these operators can generalize to unseen PDE parameters without expensive re-training.In this paper, we construct CFDBench, a benchmark tailored for evaluating the generalization ability of neural operators after training in computational fluid dynamics (CFD) problems. It features four classic CFD problems: lid-driven cavity flow, laminar boundary layer flow in circular tubes, dam flows through the steps, and periodic Karman vortex street. The data contains a total of 302K frames of velocity and pressure fields, involving 739 cases with different operating condition parameters, generated with numerical methods. We evaluate the effectiveness of popular neural operators including feed-forward networks, DeepONet, FNO, U-Net, etc. on CFDBnech by predicting flows with non-periodic boundary conditions, fluid properties, and flow domain shapes that are not seen during training. Appropriate modifications were made to apply popular deep neural networks to CFDBench and enable the accommodation of more changing inputs. Empirical results on CFDBench show many baseline models have errors as high as 300% in some problems, and severe error accumulation when performing autoregressive inference. CFDBench facilitates a more comprehensive comparison between different neural operators for CFD compared to existing benchmarks.

The collisionless Boltzmann equation (CBE) is a fundamental equation that governs the dynamics of a broad range of astrophysical systems from space plasma to star clusters and galaxies. It is computationally expensive to integrate the CBE directly in a multi-dimensional phase space, and thus the applications to realistic astrophysical problems have been limited so far. Recently, Todorova & Steijl (2020) proposed an efficient quantum algorithm to solve the CBE with significantly reduced computational complexity. We extend the algorithm to perform quantum simulations of self-gravitating systems, incorporating the method to calculate gravity with the major Fourier modes of the density distribution extracted from the solution-encoding quantum state. Our method improves the dependency of time and space complexities on Nv , the number of grid points in each velocity coordinate, compared to the classical simulation methods. We then conduct some numerical demonstrations of our method. We first run a 1+1 dimensional test calculation of free streaming motion on 64*64 grids using 13 simulated qubits and validate our method. We then perform simulations of Jeans collapse, and compare the result with analytic and linear theory calculations. It will thus allow us to perform large-scale CBE simulations on future quantum computers.

Training deep neural networks for classification often includes minimizing the training loss beyond the zero training error point. In this phase of training, a "neural collapse" behavior has been observed: the variability of features (outputs of the penultimate layer) of within-class samples decreases and the mean features of different classes approach a certain tight frame structure. Recent works analyze this behavior via idealized unconstrained features models where all the minimizers exhibit exact collapse. However, with practical networks and datasets, the features typically do not reach exact collapse, e.g., because deep layers cannot arbitrarily modify intermediate features that are far from being collapsed. In this paper, we propose a richer model that can capture this phenomenon by forcing the features to stay in the vicinity of a predefined features matrix (e.g., intermediate features). We explore the model in the small vicinity case via perturbation analysis and establish results that cannot be obtained by the previously studied models. For example, we prove reduction in the within-class variability of the optimized features compared to the predefined input features (via analyzing gradient flow on the "central-path" with minimal assumptions), analyze the minimizers in the near-collapse regime, and provide insights on the effect of regularization hyperparameters on the closeness to collapse. We support our theory with experiments in practical deep learning settings.

Integrating physics models within machine learning models holds considerable promise toward learning robust models with improved interpretability and abilities to extrapolate. In this work, we focus on the integration of incomplete physics models into deep generative models. In particular, we introduce an architecture of variational autoencoders (VAEs) in which a part of the latent space is grounded by physics. A key technical challenge is to strike a balance between the incomplete physics and trainable components such as neural networks for ensuring that the physics part is used in a meaningful manner. To this end, we propose a regularized learning method that controls the effect of the trainable components and preserves the semantics of the physics-based latent variables as intended. We not only demonstrate generative performance improvements over a set of synthetic and real-world datasets, but we also show that we learn robust models that can consistently extrapolate beyond the training distribution in a meaningful manner. Moreover, we show that we can control the generative process in an interpretable manner.

An obstacle to artificial general intelligence is set by continual learning of multiple tasks of different nature. Recently, various heuristic tricks, both from machine learning and from neuroscience angles, were proposed, but they lack a unified theory ground. Here, we focus on continual learning in single-layered and multi-layered neural networks of binary weights. A variational Bayesian learning setting is thus proposed, where the neural networks are trained in a field-space, rather than gradient-ill-defined discrete-weight space, and furthermore, weight uncertainty is naturally incorporated, and modulates synaptic resources among tasks. From a physics perspective, we translate the variational continual learning into Franz-Parisi thermodynamic potential framework, where previous task knowledge acts as a prior and a reference as well. We thus interpret the continual learning of the binary perceptron in a teacher-student setting as a Franz-Parisi potential computation. The learning performance can then be analytically studied with mean-field order parameters, whose predictions coincide with numerical experiments using stochastic gradient descent methods. Based on the variational principle and Gaussian field approximation of internal preactivations in hidden layers, we also derive the learning algorithm considering weight uncertainty, which solves the continual learning with binary weights using multi-layered neural networks, and performs better than the currently available metaplasticity algorithm. Our proposed principled frameworks also connect to elastic weight consolidation, weight-uncertainty modulated learning, and neuroscience inspired metaplasticity, providing a theory-grounded method for the real-world multi-task learning with deep networks.

The main aim of this work is to use a model-independent approach, along with late-time observational probes, to reconstruct the dark energy (DE) equation of state w_{rm DE}(z). Our analysis showed that, for a late time universe, w_{rm DE} deviates from being a constant but in contrast exhibits an oscillatory behavior, hence both quintessence (w_{rm DE}> -1) and phantom (w_{rm DE} < -1) regimes are equally allowed. In order to portray this oscillatory behavior, we explored various parametrizations for the equation of state and identified the closest approximation based on the goodness of fit with the data and the Bayesian evidence analysis. Our findings indicated that while all considered oscillating DE parametrizations provided a better fit to the data, compared to the cosmological constant, they are penalized in the Bayesian evidence analysis due to the additional free parameters. Overall, the present article demonstrates that in the low redshift regime, the equation of state of the DE prefers to be dynamical and oscillating. We anticipate that future cosmological probes will take a stand in this direction.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

Sampling is ubiquitous in machine learning methodologies. Due to the growth of large datasets and model complexity, we want to learn and adapt the sampling process while training a representation. Towards achieving this grand goal, a variety of sampling techniques have been proposed. However, most of them either use a fixed sampling scheme or adjust the sampling scheme based on simple heuristics. They cannot choose the best sample for model training in different stages. Inspired by "Think, Fast and Slow" (System 1 and System 2) in cognitive science, we propose a reward-guided sampling strategy called Adaptive Sample with Reward (ASR) to tackle this challenge. To the best of our knowledge, this is the first work utilizing reinforcement learning (RL) to address the sampling problem in representation learning. Our approach optimally adjusts the sampling process to achieve optimal performance. We explore geographical relationships among samples by distance-based sampling to maximize overall cumulative reward. We apply ASR to the long-standing sampling problems in similarity-based loss functions. Empirical results in information retrieval and clustering demonstrate ASR's superb performance across different datasets. We also discuss an engrossing phenomenon which we name as "ASR gravity well" in experiments.

Galaxies can be characterized by many internal properties such as stellar mass, gas metallicity, and star-formation rate. We quantify the amount of cosmological and astrophysical information that the internal properties of individual galaxies and their host dark matter halos contain. We train neural networks using hundreds of thousands of galaxies from 2,000 state-of-the-art hydrodynamic simulations with different cosmologies and astrophysical models of the CAMELS project to perform likelihood-free inference on the value of the cosmological and astrophysical parameters. We find that knowing the internal properties of a single galaxy allow our models to infer the value of Omega_{rm m}, at fixed Omega_{rm b}, with a sim10% precision, while no constraint can be placed on sigma_8. Our results hold for any type of galaxy, central or satellite, massive or dwarf, at all considered redshifts, zleq3, and they incorporate uncertainties in astrophysics as modeled in CAMELS. However, our models are not robust to changes in subgrid physics due to the large intrinsic differences the two considered models imprint on galaxy properties. We find that the stellar mass, stellar metallicity, and maximum circular velocity are among the most important galaxy properties to determine the value of Omega_{rm m}. We believe that our results can be explained taking into account that changes in the value of Omega_{rm m}, or potentially Omega_{rm b}/Omega_{rm m}, affect the dark matter content of galaxies. That effect leaves a distinct signature in galaxy properties to the one induced by galactic processes. Our results suggest that the low-dimensional manifold hosting galaxy properties provides a tight direct link between cosmology and astrophysics.

We develop a deep reinforcement learning method for training a jellyfish-like swimmer to effectively track a moving target in a two-dimensional flow. This swimmer is a flexible object equipped with a muscle model based on torsional springs. We employ a deep Q-network (DQN) that takes the swimmer's geometry and dynamic parameters as inputs, and outputs actions which are the forces applied to the swimmer. In particular, we introduce an action regulation to mitigate the interference from complex fluid-structure interactions. The goal of these actions is to navigate the swimmer to a target point in the shortest possible time. In the DQN training, the data on the swimmer's motions are obtained from simulations conducted using the immersed boundary method. During tracking a moving target, there is an inherent delay between the application of forces and the corresponding response of the swimmer's body due to hydrodynamic interactions between the shedding vortices and the swimmer's own locomotion. Our tests demonstrate that the swimmer, with the DQN agent and action regulation, is able to dynamically adjust its course based on its instantaneous state. This work extends the application scope of machine learning in controlling flexible objects within fluid environments.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

A mesh motion model based on deep operator networks is presented. The model is trained on and evaluated against a biharmonic mesh motion model on a fluid-structure interaction benchmark problem and further evaluated in a setting where biharmonic mesh motion fails. The performance of the proposed mesh motion model is comparable to the biharmonic mesh motion on the test problems.

Implicit models separate the definition of a layer from the description of its solution process. While implicit layers allow features such as depth to adapt to new scenarios and inputs automatically, this adaptivity makes its computational expense challenging to predict. In this manuscript, we increase the "implicitness" of the DEQ by redefining the method in terms of an infinite time neural ODE, which paradoxically decreases the training cost over a standard neural ODE by 2-4x. Additionally, we address the question: is there a way to simultaneously achieve the robustness of implicit layers while allowing the reduced computational expense of an explicit layer? To solve this, we develop Skip and Skip Reg. DEQ, an implicit-explicit (IMEX) layer that simultaneously trains an explicit prediction followed by an implicit correction. We show that training this explicit predictor is free and even decreases the training time by 1.11-3.19x. Together, this manuscript shows how bridging the dichotomy of implicit and explicit deep learning can combine the advantages of both techniques.

In deep learning theory, the covariance matrix of the representations serves as a proxy to examine the network's trainability. Motivated by the success of Transformers, we study the covariance matrix of a modified Softmax-based attention model with skip connections in the proportional limit of infinite-depth-and-width. We show that at initialization the limiting distribution can be described by a stochastic differential equation (SDE) indexed by the depth-to-width ratio. To achieve a well-defined stochastic limit, the Transformer's attention mechanism is modified by centering the Softmax output at identity, and scaling the Softmax logits by a width-dependent temperature parameter. We examine the stability of the network through the corresponding SDE, showing how the scale of both the drift and diffusion can be elegantly controlled with the aid of residual connections. The existence of a stable SDE implies that the covariance structure is well-behaved, even for very large depth and width, thus preventing the notorious issues of rank degeneracy in deep attention models. Finally, we show, through simulations, that the SDE provides a surprisingly good description of the corresponding finite-size model. We coin the name shaped Transformer for these architectural modifications.

Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator methods struggle with high-dimensional, discontinuous inputs and require large amounts of {\em labeled} training data. We propose the Deep Generative Neural Operator (DGNO), a physics-aware framework that addresses these challenges by leveraging a deep, generative, probabilistic model in combination with a set of lower-dimensional, latent variables that simultaneously encode PDE-inputs and PDE-outputs. This formulation can make use of unlabeled data and significantly improves inverse problem-solving, particularly for discontinuous or discrete-valued input functions. DGNO enforces physics constraints without labeled data by incorporating as virtual observables, weak-form residuals based on compactly supported radial basis functions (CSRBFs). These relax regularity constraints and eliminate higher-order derivatives from the objective function. We also introduce MultiONet, a novel neural operator architecture, which is a more expressive generalization of the popular DeepONet that significantly enhances the approximating power of the proposed model. These innovations make DGNO particularly effective for challenging forward and inverse, PDE-based problems, such as those involving multi-phase media. Numerical experiments demonstrate that DGNO achieves higher accuracy across multiple benchmarks while exhibiting robustness to noise and strong generalization to out-of-distribution cases. Its adaptability, and the ability to handle sparse, noisy data while providing probabilistic estimates, make DGNO a powerful tool for scientific and engineering applications.

Deep Boltzmann machines (DBMs), one of the first ``deep'' learning methods ever studied, are multi-layered probabilistic models governed by a pairwise energy function that describes the likelihood of all variables/nodes in the network. In practice, DBMs are often constrained, i.e., via the restricted Boltzmann machine (RBM) architecture (which does not permit intra-layer connections), in order to allow for more efficient inference. In this work, we revisit the generic DBM approach, and ask the question: are there other possible restrictions to their design that would enable efficient (approximate) inference? In particular, we develop a new class of restricted model, the monotone DBM, which allows for arbitrary self-connection in each layer, but restricts the weights in a manner that guarantees the existence and global uniqueness of a mean-field fixed point. To do this, we leverage tools from the recently-proposed monotone Deep Equilibrium model and show that a particular choice of activation results in a fixed-point iteration that gives a variational mean-field solution. While this approach is still largely conceptual, it is the first architecture that allows for efficient approximate inference in fully-general weight structures for DBMs. We apply this approach to simple deep convolutional Boltzmann architectures and demonstrate that it allows for tasks such as the joint completion and classification of images, within a single deep probabilistic setting, while avoiding the pitfalls of mean-field inference in traditional RBMs.

Many soft-body organisms found in nature flourish underwater. Similarly, soft robots are potentially well-suited for underwater environments partly because the problematic effects of gravity, friction, and harmonic oscillations are less severe underwater. However, it remains a challenge to design, fabricate, waterproof, model, and control underwater soft robotic systems. Furthermore, submersible robots usually do not have configurable components because of the need for sealed electronics and mechanical elements. This work presents the development of a modular and submersible soft robotic arm driven by hydraulic actuators which consists of mostly 3D printable parts which can be assembled or modified in a relatively short amount of time. Its modular design enables multiple shape configurations and easy swapping of soft actuators. As a first step to exploring machine learning control algorithms on this system, we also present preliminary forward and inverse kinematics models developed using deep neural networks.

Despite the significant recent progress in deep generative models, the underlying structure of their latent spaces is still poorly understood, thereby making the task of performing semantically meaningful latent traversals an open research challenge. Most prior work has aimed to solve this challenge by modeling latent structures linearly, and finding corresponding linear directions which result in `disentangled' generations. In this work, we instead propose to model latent structures with a learned dynamic potential landscape, thereby performing latent traversals as the flow of samples down the landscape's gradient. Inspired by physics, optimal transport, and neuroscience, these potential landscapes are learned as physically realistic partial differential equations, thereby allowing them to flexibly vary over both space and time. To achieve disentanglement, multiple potentials are learned simultaneously, and are constrained by a classifier to be distinct and semantically self-consistent. Experimentally, we demonstrate that our method achieves both more qualitatively and quantitatively disentangled trajectories than state-of-the-art baselines. Further, we demonstrate that our method can be integrated as a regularization term during training, thereby acting as an inductive bias towards the learning of structured representations, ultimately improving model likelihood on similarly structured data.

Deep learning sometimes appears to work in unexpected ways. In pursuit of a deeper understanding of its surprising behaviors, we investigate the utility of a simple yet accurate model of a trained neural network consisting of a sequence of first-order approximations telescoping out into a single empirically operational tool for practical analysis. Across three case studies, we illustrate how it can be applied to derive new empirical insights on a diverse range of prominent phenomena in the literature -- including double descent, grokking, linear mode connectivity, and the challenges of applying deep learning on tabular data -- highlighting that this model allows us to construct and extract metrics that help predict and understand the a priori unexpected performance of neural networks. We also demonstrate that this model presents a pedagogical formalism allowing us to isolate components of the training process even in complex contemporary settings, providing a lens to reason about the effects of design choices such as architecture & optimization strategy, and reveals surprising parallels between neural network learning and gradient boosting.

In this paper, we explore a novel approach to 3D anomaly detection (AD) that goes beyond merely identifying anomalies based on structural characteristics. Our primary perspective is that most anomalies arise from unpredictable defective forces originating from both internal and external sources. To address these anomalies, we seek out opposing forces that can help correct them. Therefore, we introduce the Mechanics Complementary Model-based Framework for the 3D-AD task (MC4AD), which generates internal and external corrective forces for each point. We first propose a Diverse Anomaly-Generation (DA-Gen) module designed to simulate various types of anomalies. Next, we present the Corrective Force Prediction Network (CFP-Net), which uses complementary representations for point-level analysis to simulate the different contributions from internal and external corrective forces. To ensure the corrective forces are constrained effectively, we have developed a combined loss function that includes a new symmetric loss and an overall loss. Notably, we implement a Hierarchical Quality Control (HQC) strategy based on a three-way decision process and contribute a dataset titled Anomaly-IntraVariance, which incorporates intraclass variance to evaluate our model. As a result, the proposed MC4AD has been proven effective through theory and experimentation. The experimental results demonstrate that our approach yields nine state-of-the-art performances, achieving optimal results with minimal parameters and the fastest inference speed across five existing datasets, in addition to the proposed Anomaly-IntraVariance dataset. The source is available at https://github.com/hzzzzzhappy/MC4AD

We develop a deep variational free energy framework to compute the equation of state of hydrogen in the warm dense matter region. This method parameterizes the variational density matrix of hydrogen nuclei and electrons at finite temperature using three deep generative models: a normalizing flow model that represents the Boltzmann distribution of the classical nuclei, an autoregressive transformer that models the distribution of electrons in excited states, and a permutational equivariant flow model that constructs backflow coordinates for electrons in Hartree-Fock orbitals. By jointly optimizing the three neural networks to minimize the variational free energy, we obtain the equation of state and related thermodynamic properties of dense hydrogen. We compare our results with other theoretical and experimental results on the deuterium Hugoniot curve, aiming to resolve existing discrepancies. The calculated results provide a valuable benchmark for deuterium in the warm dense matter region.

We present a new approach for evaluating Feynman integrals numerically. We apply the recently-proposed framework of physics-informed deep learning to train neural networks to approximate the solution to the differential equations satisfied by the Feynman integrals. This approach relies neither on a canonical form of the differential equations, which is often a bottleneck for the analytical techniques, nor on the availability of a large dataset, and after training yields essentially instantaneous evaluation times. We provide a proof-of-concept implementation within the PyTorch framework, and apply it to a number of one- and two-loop examples, achieving a mean magnitude of relative difference of around 1% at two loops in the physical phase space with network training times on the order of an hour on a laptop GPU.

Neural Ordinary Differential Equations (NODEs) often struggle to adapt to new dynamic behaviors caused by parameter changes in the underlying physical system, even when these dynamics are similar to previously observed behaviors. This problem becomes more challenging when the changing parameters are unobserved, meaning their value or influence cannot be directly measured when collecting data. To address this issue, we introduce Neural Context Flow (NCF), a robust and interpretable Meta-Learning framework that includes uncertainty estimation. NCF uses Taylor expansion to enable contextual self-modulation, allowing context vectors to influence dynamics from other domains while also modulating themselves. After establishing theoretical guarantees, we empirically test NCF and compare it to related adaptation methods. Our results show that NCF achieves state-of-the-art Out-of-Distribution performance on 5 out of 6 linear and non-linear benchmark problems. Through extensive experiments, we explore the flexible model architecture of NCF and the encoded representations within the learned context vectors. Our findings highlight the potential implications of NCF for foundational models in the physical sciences, offering a promising approach to improving the adaptability and generalization of NODEs in various scientific applications. Our code is openly available at https://github.com/ddrous/ncflow.

Recent advances in deep learning have inspired numerous works on data-driven solutions to partial differential equation (PDE) problems. These neural PDE solvers can often be much faster than their numerical counterparts; however, each presents its unique limitations and generally balances training cost, numerical accuracy, and ease of applicability to different problem setups. To address these limitations, we introduce several methods to apply latent diffusion models to physics simulation. Firstly, we introduce a mesh autoencoder to compress arbitrarily discretized PDE data, allowing for efficient diffusion training across various physics. Furthermore, we investigate full spatio-temporal solution generation to mitigate autoregressive error accumulation. Lastly, we investigate conditioning on initial physical quantities, as well as conditioning solely on a text prompt to introduce text2PDE generation. We show that language can be a compact, interpretable, and accurate modality for generating physics simulations, paving the way for more usable and accessible PDE solvers. Through experiments on both uniform and structured grids, we show that the proposed approach is competitive with current neural PDE solvers in both accuracy and efficiency, with promising scaling behavior up to sim3 billion parameters. By introducing a scalable, accurate, and usable physics simulator, we hope to bring neural PDE solvers closer to practical use.

Deep learning employs multi-layer neural networks trained via the backpropagation algorithm. This approach has achieved success across many domains and relies on adaptive gradient methods such as the Adam optimizer. Sequence modeling evolved from recurrent neural networks to attention-based models, culminating in the Transformer architecture. Transformers have achieved state-of-the-art performance in natural language processing (for example, BERT and GPT-3) and have been applied in computer vision and computational biology. However, theoretical understanding of these models remains limited. In this paper, we examine the mathematical foundations of deep learning and Transformers and present a novel theoretical result. We review key concepts from linear algebra, probability, and optimization that underpin deep learning, and we analyze the multi-head self-attention mechanism and the backpropagation algorithm in detail. Our main contribution is a universal approximation theorem for Transformers: we prove that a single-layer Transformer, comprising one self-attention layer followed by a position-wise feed-forward network with ReLU activation, can approximate any continuous sequence-to-sequence mapping on a compact domain to arbitrary precision. We provide a formal statement and a complete proof. Finally, we present case studies that demonstrate the practical implications of this result. Our findings advance the theoretical understanding of Transformer models and help bridge the gap between theory and practice.

Many previous studies have imposed stringent constraints on the particle mass of fuzzy dark matter (FDM) by analyzing observations of Galactic satellite galaxies, which show no significant evidence of the heating effect predicted by FDM. However, these analyses have generally neglected the tidal influence of the Milky Way, which can substantially suppress the FDM-induced heating in satellites. This oversight arises from computational challenges of accurately capturing the tidal effects in FDM simulations. In this study, we present a novel simulation framework that, for the first time, enables the simulation of an FDM-stellar system within an observationally motivated gravitational potential of the Milky Way. This framework incorporates the diverse Galactic components, including the gravitational influence of the Large Magellanic Cloud. Using the Fornax dwarf galaxy as a case study, we demonstrate that tidal effects significantly alleviate the tension between observational data and the predicted heating effect for an FDM particle mass of m_asim 10^{-22} eV.

A burgeoning line of research leverages deep neural networks to approximate the solutions to high dimensional PDEs, opening lines of theoretical inquiry focused on explaining how it is that these models appear to evade the curse of dimensionality. However, most prior theoretical analyses have been limited to linear PDEs. In this work, we take a step towards studying the representational power of neural networks for approximating solutions to nonlinear PDEs. We focus on a class of PDEs known as nonlinear elliptic variational PDEs, whose solutions minimize an Euler-Lagrange energy functional E(u) = int_Omega L(x, u(x), nabla u(x)) - f(x) u(x)dx. We show that if composing a function with Barron norm b with partial derivatives of L produces a function of Barron norm at most B_L b^p, the solution to the PDE can be epsilon-approximated in the L^2 sense by a function with Barron norm Oleft(left(dB_Lright)^{max{p log(1/ epsilon), p^{log(1/epsilon)}}}right). By a classical result due to Barron [1993], this correspondingly bounds the size of a 2-layer neural network needed to approximate the solution. Treating p, epsilon, B_L as constants, this quantity is polynomial in dimension, thus showing neural networks can evade the curse of dimensionality. Our proof technique involves neurally simulating (preconditioned) gradient in an appropriate Hilbert space, which converges exponentially fast to the solution of the PDE, and such that we can bound the increase of the Barron norm at each iterate. Our results subsume and substantially generalize analogous prior results for linear elliptic PDEs over a unit hypercube.

We present GravLensX, an innovative method for rendering black holes with gravitational lensing effects using neural networks. The methodology involves training neural networks to fit the spacetime around black holes and then employing these trained models to generate the path of light rays affected by gravitational lensing. This enables efficient and scalable simulations of black holes with optically thin accretion disks, significantly decreasing the time required for rendering compared to traditional methods. We validate our approach through extensive rendering of multiple black hole systems with superposed Kerr metric, demonstrating its capability to produce accurate visualizations with significantly 15times reduced computational time. Our findings suggest that neural networks offer a promising alternative for rendering complex astrophysical phenomena, potentially paving a new path to astronomical visualization.

Recent advances in AI weather forecasting have led to the emergence of so-called "foundation models", typically defined by expensive pretraining and minimal fine-tuning for downstream tasks. However, in the natural sciences, a desirable foundation model should also encode meaningful statistical relationships between the underlying physical variables. This study evaluates the performance of the state-of-the-art Aurora foundation model in predicting hydrological variables, which were not considered during pretraining. We introduce a lightweight approach using shallow decoders trained on the latent representations of the pretrained model to predict these new variables. As a baseline, we compare this to fine-tuning the full model, which allows further optimization of the latent space while incorporating new variables into both inputs and outputs. The decoder-based approach requires 50% less training time and 35% less memory, while achieving strong accuracy across various hydrological variables and preserving desirable properties of the foundation model, such as autoregressive stability. Notably, decoder accuracy depends on the physical correlation between the new variables and those used during pretraining, indicating that Aurora's latent space captures meaningful physical relationships. In this sense, we argue that an important quality metric for foundation models in Earth sciences is their ability to be extended to new variables without a full fine-tuning. This provides a new perspective for making foundation models more accessible to communities with limited computational resources, while supporting broader adoption in Earth sciences.

Biophysical modeling, particularly involving partial differential equations (PDEs), offers significant potential for tailoring disease treatment protocols to individual patients. However, the inverse problem-solving aspect of these models presents a substantial challenge, either due to the high computational requirements of model-based approaches or the limited robustness of deep learning (DL) methods. We propose a novel framework that leverages the unique strengths of both approaches in a synergistic manner. Our method incorporates a DL ensemble for initial parameter estimation, facilitating efficient downstream evolutionary sampling initialized with this DL-based prior. We showcase the effectiveness of integrating a rapid deep-learning algorithm with a high-precision evolution strategy in estimating brain tumor cell concentrations from magnetic resonance images. The DL-Prior plays a pivotal role, significantly constraining the effective sampling-parameter space. This reduction results in a fivefold convergence acceleration and a Dice-score of 95%

Deep generative models are a class of techniques that train deep neural networks to model the distribution of training samples. Research has fragmented into various interconnected approaches, each of which make trade-offs including run-time, diversity, and architectural restrictions. In particular, this compendium covers energy-based models, variational autoencoders, generative adversarial networks, autoregressive models, normalizing flows, in addition to numerous hybrid approaches. These techniques are compared and contrasted, explaining the premises behind each and how they are interrelated, while reviewing current state-of-the-art advances and implementations.

The industry is rich in cases when we are required to make forecasting for large amounts of time series at once. However, we might be in a situation where we can not afford to train a separate model for each of them. Such issue in time series modeling remains without due attention. The remedy for this setting is the establishment of a foundation model. Such a model is expected to work in zero-shot and few-shot regimes. However, what should we take as a training dataset for such kind of model? Witnessing the benefits from the enrichment of NLP datasets with artificially-generated data, we might want to adopt their experience for time series. In contrast to natural language, the process of generation of synthetic time series data is even more favorable because it provides full control of series patterns, time horizons, and number of samples. In this work, we consider the essential question if it is advantageous to train a foundation model on synthetic data or it is better to utilize only a limited number of real-life examples. Our experiments are conducted only for regular time series and speak in favor of leveraging solely the real time series. Moreover, the choice of the proper source dataset strongly influences the performance during inference. When provided access even to a limited quantity of short time series data, employing it within a supervised framework yields more favorable results than training on a larger volume of synthetic data. The code for our experiments is publicly available on Github https://github.com/sb-ai-lab/synthesize_or_not.

Learning predictive models from observations using deep neural networks (DNNs) is a promising new approach to many real-world planning and control problems. However, common DNNs are too unstructured for effective planning, and current control methods typically rely on extensive sampling or local gradient descent. In this paper, we propose a new framework for integrated model learning and predictive control that is amenable to efficient optimization algorithms. Specifically, we start with a ReLU neural model of the system dynamics and, with minimal losses in prediction accuracy, we gradually sparsify it by removing redundant neurons. This discrete sparsification process is approximated as a continuous problem, enabling an end-to-end optimization of both the model architecture and the weight parameters. The sparsified model is subsequently used by a mixed-integer predictive controller, which represents the neuron activations as binary variables and employs efficient branch-and-bound algorithms. Our framework is applicable to a wide variety of DNNs, from simple multilayer perceptrons to complex graph neural dynamics. It can efficiently handle tasks involving complicated contact dynamics, such as object pushing, compositional object sorting, and manipulation of deformable objects. Numerical and hardware experiments show that, despite the aggressive sparsification, our framework can deliver better closed-loop performance than existing state-of-the-art methods.

Computational Fluid Dynamics (CFD) simulation by the numerical solution of the Navier-Stokes equations is an essential tool in a wide range of applications from engineering design to climate modeling. However, the computational cost and memory demand required by CFD codes may become very high for flows of practical interest, such as in aerodynamic shape optimization. This expense is associated with the complexity of the fluid flow governing equations, which include non-linear partial derivative terms that are of difficult solution, leading to long computational times and limiting the number of hypotheses that can be tested during the process of iterative design. Therefore, we propose DeepCFD: a convolutional neural network (CNN) based model that efficiently approximates solutions for the problem of non-uniform steady laminar flows. The proposed model is able to learn complete solutions of the Navier-Stokes equations, for both velocity and pressure fields, directly from ground-truth data generated using a state-of-the-art CFD code. Using DeepCFD, we found a speedup of up to 3 orders of magnitude compared to the standard CFD approach at a cost of low error rates.

Neural networks have shown great potential in accelerating the solution of partial differential equations (PDEs). Recently, there has been a growing interest in introducing physics constraints into training neural PDE solvers to reduce the use of costly data and improve the generalization ability. However, these physics constraints, based on certain finite dimensional approximations over the function space, must resolve the smallest scaled physics to ensure the accuracy and stability of the simulation, resulting in high computational costs from large input, output, and neural networks. This paper proposes a general acceleration methodology called NeuralStagger by spatially and temporally decomposing the original learning tasks into several coarser-resolution subtasks. We define a coarse-resolution neural solver for each subtask, which requires fewer computational resources, and jointly train them with the vanilla physics-constrained loss by simply arranging their outputs to reconstruct the original solution. Due to the perfect parallelism between them, the solution is achieved as fast as a coarse-resolution neural solver. In addition, the trained solvers bring the flexibility of simulating with multiple levels of resolution. We demonstrate the successful application of NeuralStagger on 2D and 3D fluid dynamics simulations, which leads to an additional 10sim100times speed-up. Moreover, the experiment also shows that the learned model could be well used for optimal control.

Deep learning foundation models are revolutionizing many facets of science by leveraging vast amounts of data to learn general-purpose representations that can be adapted to tackle diverse downstream tasks. Foundation models hold the promise to also transform our ability to model our planet and its subsystems by exploiting the vast expanse of Earth system data. Here we introduce Aurora, a large-scale foundation model of the atmosphere trained on over a million hours of diverse weather and climate data. Aurora leverages the strengths of the foundation modelling approach to produce operational forecasts for a wide variety of atmospheric prediction problems, including those with limited training data, heterogeneous variables, and extreme events. In under a minute, Aurora produces 5-day global air pollution predictions and 10-day high-resolution weather forecasts that outperform state-of-the-art classical simulation tools and the best specialized deep learning models. Taken together, these results indicate that foundation models can transform environmental forecasting.

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Many problems in astrophysics cover multiple orders of magnitude in spatial and temporal scales. While simulating systems that experience rapid changes in these conditions, it is essential to adapt the (time-) step size to capture the behavior of the system during those rapid changes and use a less accurate time step at other, less demanding, moments. We encounter three problems with traditional methods. Firstly, making such changes requires expert knowledge of the astrophysics as well as of the details of the numerical implementation. Secondly, some parameters that determine the time-step size are fixed throughout the simulation, which means that they do not adapt to the rapidly changing conditions of the problem. Lastly, we would like the choice of time-step size to balance accuracy and computation effort. We address these challenges with Reinforcement Learning by training it to select the time-step size dynamically. We use the integration of a system of three equal-mass bodies that move due to their mutual gravity as an example of its application. With our method, the selected integration parameter adapts to the specific requirements of the problem, both in terms of computation time and accuracy while eliminating the expert knowledge needed to set up these simulations. Our method produces results competitive to existing methods and improve the results found with the most commonly-used values of time-step parameter. This method can be applied to other integrators without further retraining. We show that this extrapolation works for variable time-step integrators but does not perform to the desired accuracy for fixed time-step integrators.

We study flat space cosmologies in two dimensions by taking the flat space limit of the Achucarro-Ortiz model. We unravel a phase transition between hot flat space and flat space cosmologies, and derive a new dilaton-dependent counterterm required for the consistency of the Euclidean partition function. Our results generalize to asymptotically mass-dominated 2-dimensional dilaton gravity models, whose thermodynamical properties we discuss. The novel case of asymptotic mass-domination is neither covered by the comprehensive discussion of hep-th/0703230 nor by the more recent generalization to dilaton gravity with confining U(1) charges in 1406.7007.

We present EXAONE Deep series, which exhibits superior capabilities in various reasoning tasks, including math and coding benchmarks. We train our models mainly on the reasoning-specialized dataset that incorporates long streams of thought processes. Evaluation results show that our smaller models, EXAONE Deep 2.4B and 7.8B, outperform other models of comparable size, while the largest model, EXAONE Deep 32B, demonstrates competitive performance against leading open-weight models. All EXAONE Deep models are openly available for research purposes and can be downloaded from https://huggingface.co/LGAI-EXAONE

Large Language Models (LLMs) have shown great potential in reasoning tasks through test-time scaling methods like self-consistency with majority voting. However, this approach often leads to diminishing returns in accuracy and high computational overhead. To address these challenges, we introduce Deep Think with Confidence (DeepConf), a simple yet powerful method that enhances both reasoning efficiency and performance at test time. DeepConf leverages model-internal confidence signals to dynamically filter out low-quality reasoning traces during or after generation. It requires no additional model training or hyperparameter tuning and can be seamlessly integrated into existing serving frameworks. We evaluate DeepConf across a variety of reasoning tasks and the latest open-source models, including Qwen 3 and GPT-OSS series. Notably, on challenging benchmarks such as AIME 2025, DeepConf@512 achieves up to 99.9% accuracy and reduces generated tokens by up to 84.7% compared to full parallel thinking.

In this work, we present a novel physics-based data-driven framework for reduced-order modeling of laser ignition in a model rocket combustor based on parameterized neural ordinary differential equations (PNODE). Deep neural networks are embedded as functions of high-dimensional parameters of laser ignition to predict various terms in a 0D flow model including the heat source function, pre-exponential factors, and activation energy. Using the governing equations of a 0D flow model, our PNODE needs only a limited number of training samples and predicts trajectories of various quantities such as temperature, pressure, and mass fractions of species while satisfying physical constraints. We validate our physics-based PNODE on solution snapshots of high-fidelity Computational Fluid Dynamics (CFD) simulations of laser-induced ignition in a prototype rocket combustor. We compare the performance of our physics-based PNODE with that of kernel ridge regression and fully connected neural networks. Our results show that our physics-based PNODE provides solutions with lower mean absolute errors of average temperature over time, thus improving the prediction of successful laser ignition with high-dimensional parameters.

Foundation models have revolutionized natural language processing through a ``train once, deploy anywhere'' paradigm, where a single pre-trained model adapts to countless downstream tasks without retraining. Access to a Physics Foundation Model (PFM) would be transformative -- democratizing access to high-fidelity simulations, accelerating scientific discovery, and eliminating the need for specialized solver development. Yet current physics-aware machine learning approaches remain fundamentally limited to single, narrow domains and require retraining for each new system. We present the General Physics Transformer (GPhyT), trained on 1.8 TB of diverse simulation data, that demonstrates foundation model capabilities are achievable for physics. Our key insight is that transformers can learn to infer governing dynamics from context, enabling a single model to simulate fluid-solid interactions, shock waves, thermal convection, and multi-phase dynamics without being told the underlying equations. GPhyT achieves three critical breakthroughs: (1) superior performance across multiple physics domains, outperforming specialized architectures by up to 29x, (2) zero-shot generalization to entirely unseen physical systems through in-context learning, and (3) stable long-term predictions through 50-timestep rollouts. By establishing that a single model can learn generalizable physical principles from data alone, this work opens the path toward a universal PFM that could transform computational science and engineering.

In subsurface imaging, learning the mapping from velocity maps to seismic waveforms (forward problem) and waveforms to velocity (inverse problem) is important for several applications. While traditional techniques for solving forward and inverse problems are computationally prohibitive, there is a growing interest in leveraging recent advances in deep learning to learn the mapping between velocity maps and seismic waveform images directly from data. Despite the variety of architectures explored in previous works, several open questions still remain unanswered such as the effect of latent space sizes, the importance of manifold learning, the complexity of translation models, and the value of jointly solving forward and inverse problems. We propose a unified framework to systematically characterize prior research in this area termed the Generalized Forward-Inverse (GFI) framework, building on the assumption of manifolds and latent space translations. We show that GFI encompasses previous works in deep learning for subsurface imaging, which can be viewed as specific instantiations of GFI. We also propose two new model architectures within the framework of GFI: Latent U-Net and Invertible X-Net, leveraging the power of U-Nets for domain translation and the ability of IU-Nets to simultaneously learn forward and inverse translations, respectively. We show that our proposed models achieve state-of-the-art (SOTA) performance for forward and inverse problems on a wide range of synthetic datasets, and also investigate their zero-shot effectiveness on two real-world-like datasets. Our code is available at https://github.com/KGML-lab/Generalized-Forward-Inverse-Framework-for-DL4SI

Stable diffusion models represent the state-of-the-art in data synthesis across diverse domains and hold transformative potential for applications in science and engineering, e.g., by facilitating the discovery of novel solutions and simulating systems that are computationally intractable to model explicitly. While there is increasing effort to incorporate physics-based constraints into generative models, existing techniques are either limited in their applicability to latent diffusion frameworks or lack the capability to strictly enforce domain-specific constraints. To address this limitation this paper proposes a novel integration of stable diffusion models with constrained optimization frameworks, enabling the generation of outputs satisfying stringent physical and functional requirements. The effectiveness of this approach is demonstrated through material design experiments requiring adherence to precise morphometric properties, challenging inverse design tasks involving the generation of materials inducing specific stress-strain responses, and copyright-constrained content generation tasks. All code has been released at https://github.com/RAISELab-atUVA/Constrained-Stable-Diffusion.

Earth system models suffer from various structural and parametric errors in their representation of nonlinear, multi-scale processes, leading to uncertainties in their long-term projections. The effects of many of these errors (particularly those due to fast physics) can be quantified in short-term simulations, e.g., as differences between the predicted and observed states (analysis increments). With the increase in the availability of high-quality observations and simulations, learning nudging from these increments to correct model errors has become an active research area. However, most studies focus on using neural networks, which while powerful, are hard to interpret, are data-hungry, and poorly generalize out-of-distribution. Here, we show the capabilities of Model Error Discovery with Interpretability and Data Assimilation (MEDIDA), a general, data-efficient framework that uses sparsity-promoting equation-discovery techniques to learn model errors from analysis increments. Using two-layer quasi-geostrophic turbulence as the test case, MEDIDA is shown to successfully discover various linear and nonlinear structural/parametric errors when full observations are available. Discovery from spatially sparse observations is found to require highly accurate interpolation schemes. While NNs have shown success as interpolators in recent studies, here, they are found inadequate due to their inability to accurately represent small scales, a phenomenon known as spectral bias. We show that a general remedy, adding a random Fourier feature layer to the NN, resolves this issue enabling MEDIDA to successfully discover model errors from sparse observations. These promising results suggest that with further development, MEDIDA could be scaled up to models of the Earth system and real observations.

Data-driven deep learning models are transforming global weather forecasting. It is an open question if this success can extend to climate modeling, where the complexity of the data and long inference rollouts pose significant challenges. Here, we present the first conditional generative model that produces accurate and physically consistent global climate ensemble simulations by emulating a coarse version of the United States' primary operational global forecast model, FV3GFS. Our model integrates the dynamics-informed diffusion framework (DYffusion) with the Spherical Fourier Neural Operator (SFNO) architecture, enabling stable 100-year simulations at 6-hourly timesteps while maintaining low computational overhead compared to single-step deterministic baselines. The model achieves near gold-standard performance for climate model emulation, outperforming existing approaches and demonstrating promising ensemble skill. This work represents a significant advance towards efficient, data-driven climate simulations that can enhance our understanding of the climate system and inform adaptation strategies.

We introduce the concept of "universal password model" -- a password model that, once pre-trained, can automatically adapt its guessing strategy based on the target system. To achieve this, the model does not need to access any plaintext passwords from the target credentials. Instead, it exploits users' auxiliary information, such as email addresses, as a proxy signal to predict the underlying password distribution. Specifically, the model uses deep learning to capture the correlation between the auxiliary data of a group of users (e.g., users of a web application) and their passwords. It then exploits those patterns to create a tailored password model for the target system at inference time. No further training steps, targeted data collection, or prior knowledge of the community's password distribution is required. Besides improving over current password strength estimation techniques and attacks, the model enables any end-user (e.g., system administrators) to autonomously generate tailored password models for their systems without the often unworkable requirements of collecting suitable training data and fitting the underlying machine learning model. Ultimately, our framework enables the democratization of well-calibrated password models to the community, addressing a major challenge in the deployment of password security solutions at scale.

Knowledge distillation is classically a procedure where a neural network is trained on the output of another network along with the original targets in order to transfer knowledge between the architectures. The special case of self-distillation, where the network architectures are identical, has been observed to improve generalization accuracy. In this paper, we consider an iterative variant of self-distillation in a kernel regression setting, in which successive steps incorporate both model outputs and the ground-truth targets. This allows us to provide the first theoretical results on the importance of using the weighted ground-truth targets in self-distillation. Our focus is on fitting nonlinear functions to training data with a weighted mean square error objective function suitable for distillation, subject to ell_2 regularization of the model parameters. We show that any such function obtained with self-distillation can be calculated directly as a function of the initial fit, and that infinite distillation steps yields the same optimization problem as the original with amplified regularization. Furthermore, we provide a closed form solution for the optimal choice of weighting parameter at each step, and show how to efficiently estimate this weighting parameter for deep learning and significantly reduce the computational requirements compared to a grid search.

Deep Generative Models (DGMs) have been shown to be powerful tools for generating tabular data, as they have been increasingly able to capture the complex distributions that characterize them. However, to generate realistic synthetic data, it is often not enough to have a good approximation of their distribution, as it also requires compliance with constraints that encode essential background knowledge on the problem at hand. In this paper, we address this limitation and show how DGMs for tabular data can be transformed into Constrained Deep Generative Models (C-DGMs), whose generated samples are guaranteed to be compliant with the given constraints. This is achieved by automatically parsing the constraints and transforming them into a Constraint Layer (CL) seamlessly integrated with the DGM. Our extensive experimental analysis with various DGMs and tasks reveals that standard DGMs often violate constraints, some exceeding 95% non-compliance, while their corresponding C-DGMs are never non-compliant. Then, we quantitatively demonstrate that, at training time, C-DGMs are able to exploit the background knowledge expressed by the constraints to outperform their standard counterparts with up to 6.5% improvement in utility and detection. Further, we show how our CL does not necessarily need to be integrated at training time, as it can be also used as a guardrail at inference time, still producing some improvements in the overall performance of the models. Finally, we show that our CL does not hinder the sample generation time of the models.

The Sachdev-Ye-Kitaev (SYK) model, known for its strong quantum correlations and chaotic behavior, serves as a key platform for quantum gravity studies. However, variationally preparing thermal states on near-term quantum processors for large systems (N>12, where N is the number of Majorana fermions) presents a significant challenge due to the rapid growth in the complexity of parameterized quantum circuits. This paper addresses this challenge by integrating reinforcement learning (RL) with convolutional neural networks, employing an iterative approach to optimize the quantum circuit and its parameters. The refinement process is guided by a composite reward signal derived from entropy and the expectation values of the SYK Hamiltonian. This approach reduces the number of CNOT gates by two orders of magnitude for systems Ngeq12 compared to traditional methods like first-order Trotterization. We demonstrate the effectiveness of the RL framework in both noiseless and noisy quantum hardware environments, maintaining high accuracy in thermal state preparation. This work advances a scalable, RL-based framework with applications for quantum gravity studies and out-of-time-ordered thermal correlators computation in quantum many-body systems on near-term quantum hardware. The code is available at https://github.com/Aqasch/solving_SYK_model_with_RL.

We present a conceptual framework, datamodeling, for analyzing the behavior of a model class in terms of the training data. For any fixed "target" example x, training set S, and learning algorithm, a datamodel is a parameterized function 2^S to R that for any subset of S' subset S -- using only information about which examples of S are contained in S' -- predicts the outcome of training a model on S' and evaluating on x. Despite the potential complexity of the underlying process being approximated (e.g., end-to-end training and evaluation of deep neural networks), we show that even simple linear datamodels can successfully predict model outputs. We then demonstrate that datamodels give rise to a variety of applications, such as: accurately predicting the effect of dataset counterfactuals; identifying brittle predictions; finding semantically similar examples; quantifying train-test leakage; and embedding data into a well-behaved and feature-rich representation space. Data for this paper (including pre-computed datamodels as well as raw predictions from four million trained deep neural networks) is available at https://github.com/MadryLab/datamodels-data .

Deep Learning has revolutionized the fields of computer vision, natural language understanding, speech recognition, information retrieval and more. However, with the progressive improvements in deep learning models, their number of parameters, latency, resources required to train, etc. have all have increased significantly. Consequently, it has become important to pay attention to these footprint metrics of a model as well, not just its quality. We present and motivate the problem of efficiency in deep learning, followed by a thorough survey of the five core areas of model efficiency (spanning modeling techniques, infrastructure, and hardware) and the seminal work there. We also present an experiment-based guide along with code, for practitioners to optimize their model training and deployment. We believe this is the first comprehensive survey in the efficient deep learning space that covers the landscape of model efficiency from modeling techniques to hardware support. Our hope is that this survey would provide the reader with the mental model and the necessary understanding of the field to apply generic efficiency techniques to immediately get significant improvements, and also equip them with ideas for further research and experimentation to achieve additional gains.

This monograph presents the core principles that have guided the development of diffusion models, tracing their origins and showing how diverse formulations arise from shared mathematical ideas. Diffusion modeling starts by defining a forward process that gradually corrupts data into noise, linking the data distribution to a simple prior through a continuum of intermediate distributions. The goal is to learn a reverse process that transforms noise back into data while recovering the same intermediates. We describe three complementary views. The variational view, inspired by variational autoencoders, sees diffusion as learning to remove noise step by step. The score-based view, rooted in energy-based modeling, learns the gradient of the evolving data distribution, indicating how to nudge samples toward more likely regions. The flow-based view, related to normalizing flows, treats generation as following a smooth path that moves samples from noise to data under a learned velocity field. These perspectives share a common backbone: a time-dependent velocity field whose flow transports a simple prior to the data. Sampling then amounts to solving a differential equation that evolves noise into data along a continuous trajectory. On this foundation, the monograph discusses guidance for controllable generation, efficient numerical solvers, and diffusion-motivated flow-map models that learn direct mappings between arbitrary times. It provides a conceptual and mathematically grounded understanding of diffusion models for readers with basic deep-learning knowledge.

Fully-connected deep neural networks with weights initialized from independent Gaussian distributions can be tuned to criticality, which prevents the exponential growth or decay of signals propagating through the network. However, such networks still exhibit fluctuations that grow linearly with the depth of the network, which may impair the training of networks with width comparable to depth. We show analytically that rectangular networks with tanh activations and weights initialized from the ensemble of orthogonal matrices have corresponding preactivation fluctuations which are independent of depth, to leading order in inverse width. Moreover, we demonstrate numerically that, at initialization, all correlators involving the neural tangent kernel (NTK) and its descendants at leading order in inverse width -- which govern the evolution of observables during training -- saturate at a depth of sim 20, rather than growing without bound as in the case of Gaussian initializations. We speculate that this structure preserves finite-width feature learning while reducing overall noise, thus improving both generalization and training speed. We provide some experimental justification by relating empirical measurements of the NTK to the superior performance of deep nonlinear orthogonal networks trained under full-batch gradient descent on the MNIST and CIFAR-10 classification tasks.

Financial markets are complex systems characterized by high statistical noise, nonlinearity, and constant evolution. Thus, modeling them is extremely hard. We address the task of generating realistic and responsive Limit Order Book (LOB) market simulations, which are fundamental for calibrating and testing trading strategies, performing market impact experiments, and generating synthetic market data. Previous works lack realism, usefulness, and responsiveness of the generated simulations. To bridge this gap, we propose a novel TRAnsformer-based Denoising Diffusion Probabilistic Engine for LOB Simulations (TRADES). TRADES generates realistic order flows conditioned on the state of the market, leveraging a transformer-based architecture that captures the temporal and spatial characteristics of high-frequency market data. There is a notable absence of quantitative metrics for evaluating generative market simulation models in the literature. To tackle this problem, we adapt the predictive score, a metric measured as an MAE, by training a stock price predictive model on synthetic data and testing it on real data. We compare TRADES with previous works on two stocks, reporting an x3.27 and x3.47 improvement over SoTA according to the predictive score, demonstrating that we generate useful synthetic market data for financial downstream tasks. We assess TRADES's market simulation realism and responsiveness, showing that it effectively learns the conditional data distribution and successfully reacts to an experimental agent, giving sprout to possible calibrations and evaluations of trading strategies and market impact experiments. We developed DeepMarket, the first open-source Python framework for market simulation with deep learning. Our repository includes a synthetic LOB dataset composed of TRADES's generates simulations. We release the code at github.com/LeonardoBerti00/DeepMarket.

No experimental test precludes the possibility that the dark matter experiences forces beyond general relativity -- in fact, a variety of cosmic microwave background observations suggest greater late-time structure than predicted in the standard Lambda cold dark matter model. We show that minimal models of scalar-mediated forces between dark matter particles do not enhance the growth of unbiased tracers of structure: weak lensing observables depend on the total density perturbation, for which the enhanced growth of the density contrast in the matter era is cancelled by the more rapid dilution of the background dark matter density. Moreover, the same background-level effects imply that scenarios compatible with CMB temperature and polarization anisotropies in fact suppress structure growth, as fixing the distance to last scattering requires a substantially increased density of dark energy. Though massive mediators undo these effects upon oscillating, they suppress structure even further because their gravitational impact as nonclustering subcomponents of matter outweighs the enhanced clustering strength of dark matter. We support these findings with analytic insight that clarifies the physical impact of dark forces and explains how primary CMB measurements calibrate the model's predictions for low-redshift observables. We discuss implications for neutrino mass limits and other cosmological anomalies, and we also consider how nonminimal extensions of the model might be engineered to enhance structure.

Fluid-structure interaction is common in engineering and natural systems, where floating-body motion is governed by added mass, drag, and background flows. Modeling these dissipative dynamics is difficult: black-box neural models regress state derivatives with limited interpretability and unstable long-horizon predictions. We propose Floating-Body Hydrodynamic Neural Networks (FHNN), a physics-structured framework that predicts interpretable hydrodynamic parameters such as directional added masses, drag coefficients, and a streamfunction-based flow, and couples them with analytic equations of motion. This design constrains the hypothesis space, enhances interpretability, and stabilizes integration. On synthetic vortex datasets, FHNN achieves up to an order-of-magnitude lower error than Neural ODEs, recovers physically consistent flow fields. Compared with Hamiltonian and Lagrangian neural networks, FHNN more effectively handles dissipative dynamics while preserving interpretability, which bridges the gap between black-box learning and transparent system identification.

Modern deep neural networks have achieved impressive performance on tasks from image classification to natural language processing. Surprisingly, these complex systems with massive amounts of parameters exhibit the same structural properties in their last-layer features and classifiers across canonical datasets when training until convergence. In particular, it has been observed that the last-layer features collapse to their class-means, and those class-means are the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is known as Neural Collapse (NC). Recent papers have theoretically shown that NC emerges in the global minimizers of training problems with the simplified "unconstrained feature model". In this context, we take a step further and prove the NC occurrences in deep linear networks for the popular mean squared error (MSE) and cross entropy (CE) losses, showing that global solutions exhibit NC properties across the linear layers. Furthermore, we extend our study to imbalanced data for MSE loss and present the first geometric analysis of NC under bias-free setting. Our results demonstrate the convergence of the last-layer features and classifiers to a geometry consisting of orthogonal vectors, whose lengths depend on the amount of data in their corresponding classes. Finally, we empirically validate our theoretical analyses on synthetic and practical network architectures with both balanced and imbalanced scenarios.

The observed cosmological constant may originate as the minimum value U_{min} of a scalar field potential, where the scalar field is frozen due to a large mass. If this vacuum is metastable, it may decay to a true vacuum either at present or in the future. Assuming its decay rate Gamma is comparable to the Hubble expansion rate H_0, we estimate the scale of true vacuum bubbles and analyze their evolution. We find that their initial formation scale is sub-millimeter and their tension causes rapid collapse if m gtrsim 1.7 cdot 10^{-3}, eV. For smaller masses, the bubbles expand at the speed of light. We extend our analysis to scalar-tensor theories with non-minimal coupling, finding that the nucleation scale of gravitational constant bubbles remains consistent with the sub-millimeter regime of General Relativity. The critical mass scale remains around 10^{-3},eV. A theoretical estimate at redshift z_{obs} sim 0.01 suggests an observable bubble radius of sim 50 Mpc, implying a gravitational transition triggered sim 300 Myr ago, with a present-day size approaching 100 Mpc. Additionally, we explore mass ranges (m < 10^{-3},eV) and non-minimal coupling xi ranges (10^{-8},eV^{2-n} - 10^{-1},eV^{2-n}) that lead to a variation Delta G/G_N within the 1%-7% range. We assume non-minimal coupling of the form F(phi)=1/kappa - xi phi^n, with kappa=8pi G_N and 2 leq n leq 9. Finally, we review various local physics or/and transition based proposed solutions to the Hubble tension, including ultra-late-time transitional models (z sim 0.01), screened fifth-force mechanisms, and the Lambda_{rm s}CDM model, which features a transition at z sim 2. We discuss observational hints supporting these scenarios and the theoretical challenges they face.

Democratization of machine learning requires architectures that automatically adapt to new problems. Neural Differential Equations (NDEs) have emerged as a popular modeling framework by removing the need for ML practitioners to choose the number of layers in a recurrent model. While we can control the computational cost by choosing the number of layers in standard architectures, in NDEs the number of neural network evaluations for a forward pass can depend on the number of steps of the adaptive ODE solver. But, can we force the NDE to learn the version with the least steps while not increasing the training cost? Current strategies to overcome slow prediction require high order automatic differentiation, leading to significantly higher training time. We describe a novel regularization method that uses the internal cost heuristics of adaptive differential equation solvers combined with discrete adjoint sensitivities to guide the training process towards learning NDEs that are easier to solve. This approach opens up the blackbox numerical analysis behind the differential equation solver's algorithm and directly uses its local error estimates and stiffness heuristics as cheap and accurate cost estimates. We incorporate our method without any change in the underlying NDE framework and show that our method extends beyond Ordinary Differential Equations to accommodate Neural Stochastic Differential Equations. We demonstrate how our approach can halve the prediction time and, unlike other methods which can increase the training time by an order of magnitude, we demonstrate similar reduction in training times. Together this showcases how the knowledge embedded within state-of-the-art equation solvers can be used to enhance machine learning.

Large foundation models are typically trained on data from multiple domains, with the data mixture--the proportion of each domain used--playing a critical role in model performance. The standard approach to selecting this mixture relies on trial and error, which becomes impractical for large-scale pretraining. We propose a systematic method to determine the optimal data mixture for any target domain using scaling laws. Our approach accurately predicts the loss of a model of size N trained with D tokens and a specific domain weight vector h. We validate the universality of these scaling laws by demonstrating their predictive power in three distinct and large-scale settings: large language model (LLM), native multimodal model (NMM), and large vision models (LVM) pretraining. We further show that these scaling laws can extrapolate to new data mixtures and across scales: their parameters can be accurately estimated using a few small-scale training runs, and used to estimate the performance at larger scales and unseen domain weights. The scaling laws allow to derive the optimal domain weights for any target domain under a given training budget (N,D), providing a principled alternative to costly trial-and-error methods.

State-space models (SSMs) offer a powerful framework for dynamical system analysis, wherein the temporal dynamics of the system are assumed to be captured through the evolution of the latent states, which govern the values of the observations. This paper provides a selective review of recent advancements in deep neural network-based approaches for SSMs, and presents a unified perspective for discrete time deep state space models and continuous time ones such as latent neural Ordinary Differential and Stochastic Differential Equations. It starts with an overview of the classical maximum likelihood based approach for learning SSMs, reviews variational autoencoder as a general learning pipeline for neural network-based approaches in the presence of latent variables, and discusses in detail representative deep learning models that fall under the SSM framework. Very recent developments, where SSMs are used as standalone architectural modules for improving efficiency in sequence modeling, are also examined. Finally, examples involving mixed frequency and irregularly-spaced time series data are presented to demonstrate the advantage of SSMs in these settings.

Triggered by the realization that AI emulators can rival the performance of traditional numerical weather prediction models running on HPC systems, there is now an increasing number of large AI models that address use cases such as forecasting, downscaling, or nowcasting. While the parallel developments in the AI literature focus on foundation models -- models that can be effectively tuned to address multiple, different use cases -- the developments on the weather and climate side largely focus on single-use cases with particular emphasis on mid-range forecasting. We close this gap by introducing Prithvi WxC, a 2.3 billion parameter foundation model developed using 160 variables from the Modern-Era Retrospective Analysis for Research and Applications, Version 2 (MERRA-2). Prithvi WxC employs an encoder-decoder-based architecture, incorporating concepts from various recent transformer models to effectively capture both regional and global dependencies in the input data. The model has been designed to accommodate large token counts to model weather phenomena in different topologies at fine resolutions. Furthermore, it is trained with a mixed objective that combines the paradigms of masked reconstruction with forecasting. We test the model on a set of challenging downstream tasks namely: Autoregressive rollout forecasting, Downscaling, Gravity wave flux parameterization, and Extreme events estimation. The pretrained model with 2.3 billion parameters, along with the associated fine-tuning workflows, has been publicly released as an open-source contribution via Hugging Face.

Deep learning for time series forecasting has seen significant advancements over the past decades. However, despite the success of large-scale pre-training in language and vision domains, pre-trained time series models remain limited in scale and operate at a high cost, hindering the development of larger capable forecasting models in real-world applications. In response, we introduce Time-MoE, a scalable and unified architecture designed to pre-train larger, more capable forecasting foundation models while reducing inference costs. By leveraging a sparse mixture-of-experts (MoE) design, Time-MoE enhances computational efficiency by activating only a subset of networks for each prediction, reducing computational load while maintaining high model capacity. This allows Time-MoE to scale effectively without a corresponding increase in inference costs. Time-MoE comprises a family of decoder-only transformer models that operate in an auto-regressive manner and support flexible forecasting horizons with varying input context lengths. We pre-trained these models on our newly introduced large-scale data Time-300B, which spans over 9 domains and encompassing over 300 billion time points. For the first time, we scaled a time series foundation model up to 2.4 billion parameters, achieving significantly improved forecasting precision. Our results validate the applicability of scaling laws for training tokens and model size in the context of time series forecasting. Compared to dense models with the same number of activated parameters or equivalent computation budgets, our models consistently outperform them by large margin. These advancements position Time-MoE as a state-of-the-art solution for tackling real-world time series forecasting challenges with superior capability, efficiency, and flexibility.

While computer science has seen remarkable advancements in foundation models, which remain underexplored in geoscience. Addressing this gap, we introduce a workflow to develop geophysical foundation models, including data preparation, model pre-training, and adaption to downstream tasks. From 192 globally collected 3-D seismic volumes, we create a carefully curated dataset of 2,286,422 2-D seismic images. Fully using these unlabeled images, we employ the self-supervised learning to pre-train a Transformer-based Seismic Foundation Model (SFM) for producing all-purpose seismic features that work across various tasks and surveys. Through experiments on seismic facies classification, geobody identification, interpolation, denoising, and inversion, our pre-trained model demonstrates versatility, generalization, scalability, and superior performance over baseline models. Conclusively, we provide a foundation model and vast dataset to advance AI in geophysics, addressing challenges (poor generalization, lacking labels, and repetitive training for task-specified models) of applying AI in geophysics and paving the way for future innovations in geoscience.

Optimization with matrix gradient orthogonalization has recently demonstrated impressive results in the training of deep neural networks (Jordan et al., 2024; Liu et al., 2025). In this paper, we provide a theoretical analysis of this approach. In particular, we show that the orthogonalized gradient method can be seen as a first-order trust-region optimization method, where the trust-region is defined in terms of the matrix spectral norm. Motivated by this observation, we develop the stochastic non-Euclidean trust-region gradient method with momentum, which recovers the Muon optimizer (Jordan et al., 2024) as a special case, along with normalized SGD and signSGD with momentum (Cutkosky and Mehta, 2020; Sun et al., 2023). In addition, we prove state-of-the-art convergence results for the proposed algorithm in a range of scenarios, which involve arbitrary non-Euclidean norms, constrained and composite problems, and non-convex, star-convex, first- and second-order smooth functions. Finally, our theoretical findings provide an explanation for several practical observations, including the practical superiority of Muon compared to the Orthogonal-SGDM algorithm of Tuddenham et al. (2022) and the importance of weight decay in the training of large-scale language models.

Partial Differential Equations are foundational in modeling science and natural systems such as fluid dynamics and weather forecasting. The Latent Evolution of PDEs method is designed to address the computational intensity of classical and deep learning-based PDE solvers by proposing a scalable and efficient alternative. To enhance the efficiency and accuracy of LE-PDE, we incorporate the Mamba model, an advanced machine learning model known for its predictive efficiency and robustness in handling complex dynamic systems with a progressive learning strategy. The LE-PDE was tested on several benchmark problems. The method demonstrated a marked reduction in computational time compared to traditional solvers and standalone deep learning models while maintaining high accuracy in predicting system behavior over time. Our method doubles the inference speed compared to the LE-PDE while retaining the same level of parameter efficiency, making it well-suited for scenarios requiring long-term predictions.

In this work we study static neutron stars in the context of several inflationary models which are popular in cosmology. These inflationary models are non-minimally coupled scalar theories which yield a viable inflationary phenomenology in both Jordan and Einstein frames. By considering the constraints from inflationary theories, which basically determine the values of the potential strength, usually considered as a free parameter in astrophysical neutron star works, we construct and solve the Tolman-Oppenheimer-Volkoff equations using a solid python-3 LSODA integrator. For our study we consider several popular inflationary models, such as the universal attractors, the R^p attractors (three distinct model values), the induced inflation, the quadratic inflation, the Higgs inflation and the a-attractors (two distinct model values) and for the following popular equations of state the WFF1, the SLy, the APR, the MS1, the AP3, the AP4, the ENG, the MPA1 and the MS1b. We construct the M-R diagram and we confront the resulting theory with theoretical and observational constraints. As we demonstrate, remarkably, all the neutron stars produced by all the inflationary models we considered are compatible with all the constraints for the MPA1 equation of state. It is notable that for this particular equation of state, the maximum masses of the neutron stars are in the mass-gap region with M>2.5M_{odot}, but lower than the 3 solar masses causal limit. We also make the observation that as the NICER constraints are pushed towards larger radii, as for example in the case of the black widow pulsar PSR J0952-0607, it seems that equations of state that produce neutron stars with maximum masses in the mass gap region, with M>2.5M_{odot}, but lower than the 3 solar masses causal limit, are favored and are compatible with the modified NICER constraints.

The cost of hyperparameter tuning in deep learning has been rising with model sizes, prompting practitioners to find new tuning methods using a proxy of smaller networks. One such proposal uses muP parameterized networks, where the optimal hyperparameters for small width networks transfer to networks with arbitrarily large width. However, in this scheme, hyperparameters do not transfer across depths. As a remedy, we study residual networks with a residual branch scale of 1/text{depth} in combination with the muP parameterization. We provide experiments demonstrating that residual architectures including convolutional ResNets and Vision Transformers trained with this parameterization exhibit transfer of optimal hyperparameters across width and depth on CIFAR-10 and ImageNet. Furthermore, our empirical findings are supported and motivated by theory. Using recent developments in the dynamical mean field theory (DMFT) description of neural network learning dynamics, we show that this parameterization of ResNets admits a well-defined feature learning joint infinite-width and infinite-depth limit and show convergence of finite-size network dynamics towards this limit.

We present Hubble, a suite of fully open-source large language models (LLMs) for the scientific study of LLM memorization. Hubble models come in standard and perturbed variants: standard models are pretrained on a large English corpus, and perturbed models are trained in the same way but with controlled insertion of text (e.g., book passages, biographies, and test sets) designed to emulate key memorization risks. Our core release includes 8 models -- standard and perturbed models with 1B or 8B parameters, pretrained on 100B or 500B tokens -- establishing that memorization risks are determined by the frequency of sensitive data relative to size of the training corpus (i.e., a password appearing once in a smaller corpus is memorized better than the same password in a larger corpus). Our release also includes 6 perturbed models with text inserted at different pretraining phases, showing that sensitive data without continued exposure can be forgotten. These findings suggest two best practices for addressing memorization risks: to dilute sensitive data by increasing the size of the training corpus, and to order sensitive data to appear earlier in training. Beyond these general empirical findings, Hubble enables a broad range of memorization research; for example, analyzing the biographies reveals how readily different types of private information are memorized. We also demonstrate that the randomized insertions in Hubble make it an ideal testbed for membership inference and machine unlearning, and invite the community to further explore, benchmark, and build upon our work.

Deep learning (DL) creates impactful advances following a virtuous recipe: model architecture search, creating large training data sets, and scaling computation. It is widely believed that growing training sets and models should improve accuracy and result in better products. As DL application domains grow, we would like a deeper understanding of the relationships between training set size, computational scale, and model accuracy improvements to advance the state-of-the-art. This paper presents a large scale empirical characterization of generalization error and model size growth as training sets grow. We introduce a methodology for this measurement and test four machine learning domains: machine translation, language modeling, image processing, and speech recognition. Our empirical results show power-law generalization error scaling across a breadth of factors, resulting in power-law exponents---the "steepness" of the learning curve---yet to be explained by theoretical work. Further, model improvements only shift the error but do not appear to affect the power-law exponent. We also show that model size scales sublinearly with data size. These scaling relationships have significant implications on deep learning research, practice, and systems. They can assist model debugging, setting accuracy targets, and decisions about data set growth. They can also guide computing system design and underscore the importance of continued computational scaling.

Existing methods for optimal control struggle to deal with the complexity commonly encountered in real-world systems, including dimensionality, process error, model bias and data heterogeneity. Instead of tackling these system complexities directly, researchers have typically sought to simplify models to fit optimal control methods. But when is the optimal solution to an approximate, stylized model better than an approximate solution to a more accurate model? While this question has largely gone unanswered owing to the difficulty of finding even approximate solutions for complex models, recent algorithmic and computational advances in deep reinforcement learning (DRL) might finally allow us to address these questions. DRL methods have to date been applied primarily in the context of games or robotic mechanics, which operate under precisely known rules. Here, we demonstrate the ability for DRL algorithms using deep neural networks to successfully approximate solutions (the "policy function" or control rule) in a non-linear three-variable model for a fishery without knowing or ever attempting to infer a model for the process itself. We find that the reinforcement learning agent discovers an effective simplification of the problem to obtain an interpretable control rule. We show that the policy obtained with DRL is both more profitable and more sustainable than any constant mortality policy -- the standard family of policies considered in fishery management.

We present a neural operator architecture to simulate Lagrangian dynamics, such as fluid flow, granular flows, and elastoplasticity. Traditional numerical methods, such as the finite element method (FEM), suffer from long run times and large memory consumption. On the other hand, approaches based on graph neural networks are faster but still suffer from long computation times on dense graphs, which are often required for high-fidelity simulations. Our model, GIOROM or Graph Interaction Operator for Reduced-Order Modeling, learns temporal dynamics within a reduced-order setting, capturing spatial features from a highly sparse graph representation of the input and generalizing to arbitrary spatial locations during inference. The model is geometry-aware and discretization-agnostic and can generalize to different initial conditions, velocities, and geometries after training. We show that point clouds of the order of 100,000 points can be inferred from sparse graphs with sim1000 points, with negligible change in computation time. We empirically evaluate our model on elastic solids, Newtonian fluids, Non-Newtonian fluids, Drucker-Prager granular flows, and von Mises elastoplasticity. On these benchmarks, our approach results in a 25times speedup compared to other neural network-based physics simulators while delivering high-fidelity predictions of complex physical systems and showing better performance on most benchmarks. The code and the demos are provided at https://github.com/HrishikeshVish/GIOROM.

Developing an accurate tourism forecasting model is essential for making desirable policy decisions for tourism management. Early studies on tourism management focus on discovering external factors related to tourism demand. Recent studies utilize deep learning in demand forecasting along with these external factors. They mainly use recursive neural network models such as LSTM and RNN for their frameworks. However, these models are not suitable for use in forecasting tourism demand. This is because tourism demand is strongly affected by changes in various external factors, and recursive neural network models have limitations in handling these multivariate inputs. We propose a multi-head attention CNN model (MHAC) for addressing these limitations. The MHAC uses 1D-convolutional neural network to analyze temporal patterns and the attention mechanism to reflect correlations between input variables. This model makes it possible to extract spatiotemporal characteristics from time-series data of various variables. We apply our forecasting framework to predict inbound tourist changes in South Korea by considering external factors such as politics, disease, season, and attraction of Korean culture. The performance results of extensive experiments show that our method outperforms other deep-learning-based prediction frameworks in South Korea tourism forecasting.

Hall effect thrusters are one of the most versatile and popular electric propulsion systems for space use. Industry trends towards interplanetary missions arise advances in design development of such propulsion systems. It is understood that correct sizing of discharge channel in Hall effect thruster impact performance greatly. Since the complete physics model of such propulsion system is not yet optimized for fast computations and design iterations, most thrusters are being designed using so-called scaling laws. But this work focuses on rather novel approach, which is outlined less frequently than ordinary scaling design approach in literature. Using deep machine learning it is possible to create predictive performance model, which can be used to effortlessly get design of required hall thruster with required characteristics using way less computational power than design from scratch and way more flexible than usual scaling approach.

Air quality prediction and modelling plays a pivotal role in public health and environment management, for individuals and authorities to make informed decisions. Although traditional data-driven models have shown promise in this domain, their long-term prediction accuracy can be limited, especially in scenarios with sparse or incomplete data and they often rely on black-box deep learning structures that lack solid physical foundation leading to reduced transparency and interpretability in predictions. To address these limitations, this paper presents a novel approach named Physics guided Neural Network for Air Quality Prediction (AirPhyNet). Specifically, we leverage two well-established physics principles of air particle movement (diffusion and advection) by representing them as differential equation networks. Then, we utilize a graph structure to integrate physics knowledge into a neural network architecture and exploit latent representations to capture spatio-temporal relationships within the air quality data. Experiments on two real-world benchmark datasets demonstrate that AirPhyNet outperforms state-of-the-art models for different testing scenarios including different lead time (24h, 48h, 72h), sparse data and sudden change prediction, achieving reduction in prediction errors up to 10%. Moreover, a case study further validates that our model captures underlying physical processes of particle movement and generates accurate predictions with real physical meaning.

In this study, we apply two pillars of Scientific Machine Learning: Neural Ordinary Differential Equations (Neural ODEs) and Universal Differential Equations (UDEs) to the Chandrasekhar White Dwarf Equation (CWDE). The CWDE is fundamental for understanding the life cycle of a star, and describes the relationship between the density of the white dwarf and its distance from the center. Despite the rise in Scientific Machine Learning frameworks, very less attention has been paid to the systematic applications of the above SciML pillars on astronomy based ODEs. Through robust modeling in the Julia programming language, we show that both Neural ODEs and UDEs can be used effectively for both prediction as well as forecasting of the CWDE. More importantly, we introduce the forecasting breakdown point - the time at which forecasting fails for both Neural ODEs and UDEs. Through a robust hyperparameter optimization testing, we provide insights on the neural network architecture, activation functions and optimizers which provide the best results. This study provides opens a door to investigate the applicability of Scientific Machine Learning frameworks in forecasting tasks for a wide range of scientific domains.

Controlling a robot based on physics-consistent dynamic models, such as Deep Lagrangian Networks (DeLaN), can improve the generalizability and interpretability of the resulting behavior. However, in complex environments, the number of objects to potentially interact with is vast, and their physical properties are often uncertain. This complexity makes it infeasible to employ a single global model. Therefore, we need to resort to online system identification of context-aware models that capture only the currently relevant aspects of the environment. While physical principles such as the conservation of energy may not hold across varying contexts, ensuring physical plausibility for any individual context-aware model can still be highly desirable, particularly when using it for receding horizon control methods such as model predictive control (MPC). Hence, in this work, we extend DeLaN to make it context-aware, combine it with a recurrent network for online system identification, and integrate it with an MPC for adaptive, physics-consistent control. We also combine DeLaN with a residual dynamics model to leverage the fact that a nominal model of the robot is typically available. We evaluate our method on a 7-DOF robot arm for trajectory tracking under varying loads. Our method reduces the end-effector tracking error by 39%, compared to a 21% improvement achieved by a baseline that uses an extended Kalman filter.

We present a neural network emulator to constrain the thermal parameters of the intergalactic medium (IGM) at 5.4z6.0 using the Lyman-displaystylealpha (Lydisplaystylealpha) forest flux auto-correlation function. Our auto-differentiable JAX-based framework accelerates the surrogate model generation process using approximately 100 sparsely sampled Nyx hydrodynamical simulations with varying combinations of thermal parameters, i.e., the temperature at mean density T_{{0}}, the slope of the temperaturedisplaystyle-density relation displaystylegamma, and the mean transmission flux langle{F}{rangle}. We show that this emulator has a typical accuracy of 1.0% across the specified redshift range. Bayesian inference of the IGM thermal parameters, incorporating emulator uncertainty propagation, is further expedited using NumPyro Hamiltonian Monte Carlo. We compare both the inference results and computational cost of our framework with the traditional nearest-neighbor interpolation approach applied to the same set of mock Lyalpha flux. By examining the credibility contours of the marginalized posteriors for T_{{0}},gamma,and{langle}{F}{rangle} obtained using the emulator, the statistical reliability of measurements is established through inference on 100 realistic mock data sets of the auto-correlation function.

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are fine-tuned for the application at hand. Although this tuning process can require large computational costs, recent work has shown that these costs can be reduced by line search methods that iteratively adjust the stepsize. We propose an alternative approach to stochastic line search by using a new algorithm based on forward step model building. This model building step incorporates second-order information that allows adjusting not only the stepsize but also the search direction. Noting that deep learning model parameters come in groups (layers of tensors), our method builds its model and calculates a new step for each parameter group. This novel diagonalization approach makes the selected step lengths adaptive. We provide convergence rate analysis, and experimentally show that the proposed algorithm achieves faster convergence and better generalization in well-known test problems. More precisely, SMB requires less tuning, and shows comparable performance to other adaptive methods.

Some results of author's work in a non-geometrical approach to quantum gravity are reviewed here, among them: a quantum mechanism of classical gravity giving a possibility to compute the Newton constant; asymptotic freedom at short distances; interaction of photons with the graviton background leading to the important cosmological consequences; the time delay of photons due to interactions with gravitons; deceleration of massive bodies in the graviton background which may be connected with the Pioneer anomaly and with the problem of dark matter.

Existing diffusion-based text-to-3D generation methods primarily focus on producing visually realistic shapes and appearances, often neglecting the physical constraints necessary for downstream tasks. Generated models frequently fail to maintain balance when placed in physics-based simulations or 3D printed. This balance is crucial for satisfying user design intentions in interactive gaming, embodied AI, and robotics, where stable models are needed for reliable interaction. Additionally, stable models ensure that 3D-printed objects, such as figurines for home decoration, can stand on their own without requiring additional supports. To fill this gap, we introduce Atlas3D, an automatic and easy-to-implement method that enhances existing Score Distillation Sampling (SDS)-based text-to-3D tools. Atlas3D ensures the generation of self-supporting 3D models that adhere to physical laws of stability under gravity, contact, and friction. Our approach combines a novel differentiable simulation-based loss function with physically inspired regularization, serving as either a refinement or a post-processing module for existing frameworks. We verify Atlas3D's efficacy through extensive generation tasks and validate the resulting 3D models in both simulated and real-world environments.

Hyperbolic neural networks have shown great potential for modeling complex data. However, existing hyperbolic networks are not completely hyperbolic, as they encode features in a hyperbolic space yet formalize most of their operations in the tangent space (a Euclidean subspace) at the origin of the hyperbolic space. This hybrid method greatly limits the modeling ability of networks. In this paper, we propose a fully hyperbolic framework to build hyperbolic networks based on the Lorentz model by adapting the Lorentz transformations (including boost and rotation) to formalize essential operations of neural networks. Moreover, we also prove that linear transformation in tangent spaces used by existing hyperbolic networks is a relaxation of the Lorentz rotation and does not include the boost, implicitly limiting the capabilities of existing hyperbolic networks. The experimental results on four NLP tasks show that our method has better performance for building both shallow and deep networks. Our code will be released to facilitate follow-up research.

Deep learning has been successful in automating the design of features in machine learning pipelines. However, the algorithms optimizing neural network parameters remain largely hand-designed and computationally inefficient. We study if we can use deep learning to directly predict these parameters by exploiting the past knowledge of training other networks. We introduce a large-scale dataset of diverse computational graphs of neural architectures - DeepNets-1M - and use it to explore parameter prediction on CIFAR-10 and ImageNet. By leveraging advances in graph neural networks, we propose a hypernetwork that can predict performant parameters in a single forward pass taking a fraction of a second, even on a CPU. The proposed model achieves surprisingly good performance on unseen and diverse networks. For example, it is able to predict all 24 million parameters of a ResNet-50 achieving a 60% accuracy on CIFAR-10. On ImageNet, top-5 accuracy of some of our networks approaches 50%. Our task along with the model and results can potentially lead to a new, more computationally efficient paradigm of training networks. Our model also learns a strong representation of neural architectures enabling their analysis.

As AI model size grows, neural scaling laws have become a crucial tool to predict the improvements of large models when increasing capacity and the size of original (human or natural) training data. Yet, the widespread use of popular models means that the ecosystem of online data and text will co-evolve to progressively contain increased amounts of synthesized data. In this paper we ask: How will the scaling laws change in the inevitable regime where synthetic data makes its way into the training corpus? Will future models, still improve, or be doomed to degenerate up to total (model) collapse? We develop a theoretical framework of model collapse through the lens of scaling laws. We discover a wide range of decay phenomena, analyzing loss of scaling, shifted scaling with number of generations, the ''un-learning" of skills, and grokking when mixing human and synthesized data. Our theory is validated by large-scale experiments with a transformer on an arithmetic task and text generation using the large language model Llama2.

Modern LLMs are increasingly deep, and depth correlates with performance, albeit with diminishing returns. However, do these models use their depth efficiently? Do they compose more features to create higher-order computations that are impossible in shallow models, or do they merely spread the same kinds of computation out over more layers? To address these questions, we analyze the residual stream of the Llama 3.1 and Qwen 3 family of models. We find: First, comparing the output of the sublayers to the residual stream reveals that layers in the second half contribute much less than those in the first half, with a clear phase transition between the two halves. Second, skipping layers in the second half has a much smaller effect on future computations and output predictions. Third, for multihop tasks, we are unable to find evidence that models are using increased depth to compose subresults in examples involving many hops. Fourth, we seek to directly address whether deeper models are using their additional layers to perform new kinds of computation. To do this, we train linear maps from the residual stream of a shallow model to a deeper one. We find that layers with the same relative depth map best to each other, suggesting that the larger model simply spreads the same computations out over its many layers. All this evidence suggests that deeper models are not using their depth to learn new kinds of computation, but only using the greater depth to perform more fine-grained adjustments to the residual. This may help explain why increasing scale leads to diminishing returns for stacked Transformer architectures.

Given ample experimental data from a system governed by differential equations, it is possible to use deep learning techniques to construct the underlying differential operators. In this work we perform symbolic discovery of differential operators in a situation where there is sparse experimental data. This small data regime in machine learning can be made tractable by providing our algorithms with prior information about the underlying dynamics. Physics Informed Neural Networks (PINNs) have been very successful in this regime (reconstructing entire ODE solutions using only a single point or entire PDE solutions with very few measurements of the initial condition). We modify the PINN approach by adding a neural network that learns a representation of unknown hidden terms in the differential equation. The algorithm yields both a surrogate solution to the differential equation and a black-box representation of the hidden terms. These hidden term neural networks can then be converted into symbolic equations using symbolic regression techniques like AI Feynman. In order to achieve convergence of these neural networks, we provide our algorithms with (noisy) measurements of both the initial condition as well as (synthetic) experimental data obtained at later times. We demonstrate strong performance of this approach even when provided with very few measurements of noisy data in both the ODE and PDE regime.

We use new cosmic microwave background (CMB) primary temperature and polarization anisotropy measurements from the Atacama Cosmology Telescope (ACT) Data Release 6 (DR6) to test foundational assumptions of the standard cosmological model and set constraints on extensions to it. We derive constraints from the ACT DR6 power spectra alone, as well as in combination with legacy data from Planck. To break geometric degeneracies, we include ACT and Planck CMB lensing data and baryon acoustic oscillation data from DESI Year-1, and further add supernovae measurements from Pantheon+ for models that affect the late-time expansion history. We verify the near-scale-invariance (running of the spectral index d n_s/dln k = 0.0062 pm 0.0052) and adiabaticity of the primordial perturbations. Neutrino properties are consistent with Standard Model predictions: we find no evidence for new light, relativistic species that are free-streaming (N_{rm eff} = 2.86 pm 0.13, which combined with external BBN data becomes N_{rm eff} = 2.89 pm 0.11), for non-zero neutrino masses (sum m_nu < 0.082 eV at 95% CL), or for neutrino self-interactions. We also find no evidence for self-interacting dark radiation (N_{rm idr} < 0.134), early-universe variation of fundamental constants, early dark energy, primordial magnetic fields, or modified recombination. Our data are consistent with standard BBN, the FIRAS-inferred CMB temperature, a dark matter component that is collisionless and with only a small fraction allowed as axion-like particles, a cosmological constant, and the late-time growth rate predicted by general relativity. We find no statistically significant preference for a departure from the baseline LambdaCDM model. In general, models introduced to increase the Hubble constant or to decrease the amplitude of density fluctuations inferred from the primary CMB are not favored by our data.

DeepSeek-R1-Zero has shown that reinforcement learning (RL) at scale can directly enhance the reasoning capabilities of LLMs without supervised fine-tuning. In this work, we critically examine R1-Zero-like training by analyzing its two core components: base models and RL. We investigate a wide range of base models, including DeepSeek-V3-Base, to understand how pretraining characteristics influence RL performance. Our analysis reveals that DeepSeek-V3-Base already exhibit ''Aha moment'', while Qwen2.5 base models demonstrate strong reasoning capabilities even without prompt templates, suggesting potential pretraining biases. Additionally, we identify an optimization bias in Group Relative Policy Optimization (GRPO), which artificially increases response length (especially for incorrect outputs) during training. To address this, we introduce Dr. GRPO, an unbiased optimization method that improves token efficiency while maintaining reasoning performance. Leveraging these insights, we present a minimalist R1-Zero recipe that achieves 43.3% accuracy on AIME 2024 with a 7B base model, establishing a new state-of-the-art. Our code is available at https://github.com/sail-sg/understand-r1-zero.

Recently, DeepNorm scales Transformers into extremely deep (i.e., 1000 layers) and reveals the promising potential of deep scaling. To stabilize the training of deep models, DeepNorm (Wang et al., 2022) attempts to constrain the model update to a constant value. Although applying such a constraint can benefit the early stage of model training, it may lead to undertrained models during the whole training procedure. In this paper, we propose BranchNorm, which dynamically rescales the non-residual branch of Transformer in accordance with the training period. BranchNorm not only theoretically stabilizes the training with smooth gradient norms at the early stage, but also encourages better convergence in the subsequent training stage. Experiment results on multiple translation tasks demonstrate that BranchNorm achieves a better trade-off between training stability and converge performance.

It has recently been conjectured that neural network solution sets reachable via stochastic gradient descent (SGD) are convex, considering permutation invariances (Entezari et al., 2022). This means that a linear path can connect two independent solutions with low loss, given the weights of one of the models are appropriately permuted. However, current methods to test this theory often require very wide networks to succeed. In this work, we conjecture that more generally, the SGD solution set is a "star domain" that contains a "star model" that is linearly connected to all the other solutions via paths with low loss values, modulo permutations. We propose the Starlight algorithm that finds a star model of a given learning task. We validate our claim by showing that this star model is linearly connected with other independently found solutions. As an additional benefit of our study, we demonstrate better uncertainty estimates on the Bayesian Model Averaging over the obtained star domain. Further, we demonstrate star models as potential substitutes for model ensembles. Our code is available at https://github.com/aktsonthalia/starlight.

Formulating a quantum theory of gravity lies at the heart of fundamental theoretical physics. This collection of lecture notes encompasses a selection of topics that were covered in six mini-courses at the Nordita PhD school "Towards Quantum Gravity". The scope was to provide a coherent picture, from its foundation to forefront research, emphasizing connections between different areas. The lectures begin with perturbative quantum gravity and effective field theory. Subsequently, two ultraviolet-complete approaches are presented: asymptotically safe gravity and string theory. Finally, elements of quantum effects in black hole spacetimes are discussed.

Accurate Subseasonal-to-Seasonal (S2S) ocean simulation is critically important for marine research, yet remains challenging due to its substantial thermal inertia and extended time delay. Machine learning (ML)-based models have demonstrated significant advancements in simulation accuracy and computational efficiency compared to traditional numerical methods. Nevertheless, a significant limitation of current ML models for S2S ocean simulation is their inadequate incorporation of physical consistency and the slow-changing properties of the ocean system. In this work, we propose a neural ocean model (NeuralOM) for S2S ocean simulation with a multi-scale interactive graph neural network to emulate diverse physical phenomena associated with ocean systems effectively. Specifically, we propose a multi-stage framework tailored to model the ocean's slowly changing nature. Additionally, we introduce a multi-scale interactive messaging module to capture complex dynamical behaviors, such as gradient changes and multiplicative coupling relationships inherent in ocean dynamics. Extensive experimental evaluations confirm that our proposed NeuralOM outperforms state-of-the-art models in S2S and extreme event simulation. The codes are available at https://github.com/YuanGao-YG/NeuralOM.

There is some theoretical evidence that deep neural networks with multiple hidden layers have a potential for more efficient representation of multidimensional mappings than shallow networks with a single hidden layer. The question is whether it is possible to exploit this theoretical advantage for finding such representations with help of numerical training methods. Tests using prototypical problems with a known mean square minimum did not confirm this hypothesis. Minima found with the help of deep networks have always been worse than those found using shallow networks. This does not directly contradict the theoretical findings---it is possible that the superior representational capacity of deep networks is genuine while finding the mean square minimum of such deep networks is a substantially harder problem than with shallow ones.

Despite the widespread empirical success of ResNet, the generalization properties of deep ResNet are rarely explored beyond the lazy training regime. In this work, we investigate scaled ResNet in the limit of infinitely deep and wide neural networks, of which the gradient flow is described by a partial differential equation in the large-neural network limit, i.e., the mean-field regime. To derive the generalization bounds under this setting, our analysis necessitates a shift from the conventional time-invariant Gram matrix employed in the lazy training regime to a time-variant, distribution-dependent version. To this end, we provide a global lower bound on the minimum eigenvalue of the Gram matrix under the mean-field regime. Besides, for the traceability of the dynamic of Kullback-Leibler (KL) divergence, we establish the linear convergence of the empirical error and estimate the upper bound of the KL divergence over parameters distribution. Finally, we build the uniform convergence for generalization bound via Rademacher complexity. Our results offer new insights into the generalization ability of deep ResNet beyond the lazy training regime and contribute to advancing the understanding of the fundamental properties of deep neural networks.

Tensorial neural networks (TNNs) combine the successes of multilinear algebra with those of deep learning to enable extremely efficient reduced-order models of high-dimensional problems. Here, I describe a deep neural network architecture that fuses multiple TNNs into a larger network, intended to solve a broader class of problems than a single TNN. I evaluate this architecture, referred to as a "stacked tensorial neural network" (STNN), on a parametric PDE with three independent variables and three parameters. The three parameters correspond to one PDE coefficient and two quantities describing the domain geometry. The STNN provides an accurate reduced-order description of the solution manifold over a wide range of parameters. There is also evidence of meaningful generalization to parameter values outside its training data. Finally, while the STNN architecture is relatively simple and problem agnostic, it can be regularized to incorporate problem-specific features like symmetries and physical modeling assumptions.

Understanding the physics of planetary magma oceans has been the subject of growing efforts, in light of the increasing abundance of Solar system samples and extrasolar surveys. A rocky planet harboring such an ocean is likely to interact tidally with its host star, planetary companions, or satellites. To date, however, models of the tidal response and heat generation of magma oceans have been restricted to the framework of weakly viscous solids, ignoring the dynamical fluid behavior of the ocean beyond a critical melt fraction. Here we provide a handy analytical model that accommodates this phase transition, allowing for a physical estimation of the tidal response of lava worlds. We apply the model in two settings: The tidal history of the early Earth-Moon system in the aftermath of the giant impact; and the tidal interplay between short-period exoplanets and their host stars. For the former, we show that the fluid behavior of the Earth's molten surface drives efficient early Lunar recession to {sim} 25 Earth radii within 10^4{-} 10^5 years, in contrast with earlier predictions. For close-in exoplanets, we report on how their molten surfaces significantly change their spin-orbit dynamics, allowing them to evade spin-orbit resonances and accelerating their track towards tidal synchronization from a Gyr to Myr timescale. Moreover, we re-evaluate the energy budgets of detected close-in exoplanets, highlighting how the surface thermodynamics of these planets are likely controlled by enhanced, fluid-driven tidal heating, rather than vigorous insolation, and how this regime change substantially alters predictions for their surface temperatures.

Requiring 10^{13}-10^{15} FLOPs to calculate one 8 bit weight in an LLM during pretraining is extremely expensive and seems inefficient. To better leverage the huge investments made into pretrained models, we develop the new "Assembly-of-Experts" (AoE) construction method to create capable child variants of existing Mixture-of-Experts parent models in linear time. Model weight tensors get interpolated individually, allowing to enhance or suppress semantic features of the parents. Varying the proportion of weights taken from the parent models, we observe some properties of the AoE child model changing gradually, while other behavioral traits emerge with a sharp transition. Surprisingly, nearly every generated model is functional and capable, which makes searching the model space straightforward. We construct the DeepSeek R1T "Chimera", a 671B open-weights hybrid model combining DeepSeek's V3-0324 and R1 model variants. The child inherits only the routed expert tensors of R1, but still achieves about R1-level intelligence. At the same time, it uses about 40\% fewer output tokens, close to V3 speed. Constructed without any fine-tuning or distillation, the Chimera exhibits surprisingly compact, orderly reasoning compared to its parent models.

Deep reinforcement learning (DRL) has emerged as a promising solution to mastering explosive and versatile quadrupedal jumping skills. However, current DRL-based frameworks usually rely on pre-existing reference trajectories obtained by capturing animal motions or transferring experience from existing controllers. This work aims to prove that learning dynamic jumping is possible without relying on imitating a reference trajectory by leveraging a curriculum design. Starting from a vertical in-place jump, we generalize the learned policy to forward and diagonal jumps and, finally, we learn to jump across obstacles. Conditioned on the desired landing location, orientation, and obstacle dimensions, the proposed approach yields a wide range of omnidirectional jumping motions in real-world experiments. Particularly we achieve a 90cm forward jump, exceeding all previous records for similar robots reported in the existing literature. Additionally, the robot can reliably execute continuous jumping on soft grassy grounds, which is especially remarkable as such conditions were not included in the training stage. A supplementary video can be found on: https://www.youtube.com/watch?v=nRaMCrwU5X8. The code associated with this work can be found on: https://github.com/Vassil17/Curriculum-Quadruped-Jumping-DRL.

Despite the widespread practical success of deep learning methods, our theoretical understanding of the dynamics of learning in deep neural networks remains quite sparse. We attempt to bridge the gap between the theory and practice of deep learning by systematically analyzing learning dynamics for the restricted case of deep linear neural networks. Despite the linearity of their input-output map, such networks have nonlinear gradient descent dynamics on weights that change with the addition of each new hidden layer. We show that deep linear networks exhibit nonlinear learning phenomena similar to those seen in simulations of nonlinear networks, including long plateaus followed by rapid transitions to lower error solutions, and faster convergence from greedy unsupervised pretraining initial conditions than from random initial conditions. We provide an analytical description of these phenomena by finding new exact solutions to the nonlinear dynamics of deep learning. Our theoretical analysis also reveals the surprising finding that as the depth of a network approaches infinity, learning speed can nevertheless remain finite: for a special class of initial conditions on the weights, very deep networks incur only a finite, depth independent, delay in learning speed relative to shallow networks. We show that, under certain conditions on the training data, unsupervised pretraining can find this special class of initial conditions, while scaled random Gaussian initializations cannot. We further exhibit a new class of random orthogonal initial conditions on weights that, like unsupervised pre-training, enjoys depth independent learning times. We further show that these initial conditions also lead to faithful propagation of gradients even in deep nonlinear networks, as long as they operate in a special regime known as the edge of chaos.

State space models (SSMs) have shown remarkable empirical performance on many long sequence modeling tasks, but a theoretical understanding of these models is still lacking. In this work, we study the learning dynamics of linear SSMs to understand how covariance structure in data, latent state size, and initialization affect the evolution of parameters throughout learning with gradient descent. We show that focusing on the learning dynamics in the frequency domain affords analytical solutions under mild assumptions, and we establish a link between one-dimensional SSMs and the dynamics of deep linear feed-forward networks. Finally, we analyze how latent state over-parameterization affects convergence time and describe future work in extending our results to the study of deep SSMs with nonlinear connections. This work is a step toward a theory of learning dynamics in deep state space models.

Score-based generative models (SGMs) are a powerful class of generative models that exhibit remarkable empirical performance. Score-based generative modelling (SGM) consists of a ``noising'' stage, whereby a diffusion is used to gradually add Gaussian noise to data, and a generative model, which entails a ``denoising'' process defined by approximating the time-reversal of the diffusion. Existing SGMs assume that data is supported on a Euclidean space, i.e. a manifold with flat geometry. In many domains such as robotics, geoscience or protein modelling, data is often naturally described by distributions living on Riemannian manifolds and current SGM techniques are not appropriate. We introduce here Riemannian Score-based Generative Models (RSGMs), a class of generative models extending SGMs to Riemannian manifolds. We demonstrate our approach on a variety of manifolds, and in particular with earth and climate science spherical data.

Recent advances in deep learning have driven rapid progress in time series forecasting, yet many state-of-the-art models continue to struggle with robust performance in real-world applications, even when they achieve strong results on standard benchmark datasets. This persistent gap can be attributed to the black-box nature of deep learning architectures and the inherent limitations of current evaluation frameworks, which frequently lack the capacity to provide clear, quantitative insights into the specific strengths and weaknesses of different models, thereby complicating the selection of appropriate models for particular forecasting scenarios. To address these issues, we propose a synthetic data-driven evaluation paradigm, SynTSBench, that systematically assesses fundamental modeling capabilities of time series forecasting models through programmable feature configuration. Our framework isolates confounding factors and establishes an interpretable evaluation system with three core analytical dimensions: (1) temporal feature decomposition and capability mapping, which enables systematic evaluation of model capacities to learn specific pattern types; (2) robustness analysis under data irregularities, which quantifies noise tolerance thresholds and anomaly recovery capabilities; and (3) theoretical optimum benchmarking, which establishes performance boundaries for each pattern type-enabling direct comparison between model predictions and mathematical optima. Our experiments show that current deep learning models do not universally approach optimal baselines across all types of temporal features.The code is available at https://github.com/TanQitai/SynTSBench

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative trajectories, and results in costly inference for diffusion models. To address these limitations, we introduce Neural Flow Diffusion Models (NFDM), a novel framework that enhances diffusion models by supporting a broader range of forward processes beyond the fixed linear Gaussian. We also propose a novel parameterization technique for learning the forward process. Our framework provides an end-to-end, simulation-free optimization objective, effectively minimizing a variational upper bound on the negative log-likelihood. Experimental results demonstrate NFDM's strong performance, evidenced by state-of-the-art likelihood estimation. Furthermore, we investigate NFDM's capacity for learning generative dynamics with specific characteristics, such as deterministic straight lines trajectories. This exploration underscores NFDM's versatility and its potential for a wide range of applications.

The development of foundation models has revolutionized our ability to interpret the Earth's surface using satellite observational data. Traditional models have been siloed, tailored to specific sensors or data types like optical, radar, and hyperspectral, each with its own unique characteristics. This specialization hinders the potential for a holistic analysis that could benefit from the combined strengths of these diverse data sources. Our novel approach introduces the Dynamic One-For-All (DOFA) model, leveraging the concept of neural plasticity in brain science to integrate various data modalities into a single framework adaptively. This dynamic hypernetwork, adjusting to different wavelengths, enables a single versatile Transformer jointly trained on data from five sensors to excel across 12 distinct Earth observation tasks, including sensors never seen during pretraining. DOFA's innovative design offers a promising leap towards more accurate, efficient, and unified Earth observation analysis, showcasing remarkable adaptability and performance in harnessing the potential of multimodal Earth observation data.

Prediction of future movement of stock prices has always been a challenging task for the researchers. While the advocates of the efficient market hypothesis (EMH) believe that it is impossible to design any predictive framework that can accurately predict the movement of stock prices, there are seminal work in the literature that have clearly demonstrated that the seemingly random movement patterns in the time series of a stock price can be predicted with a high level of accuracy. Design of such predictive models requires choice of appropriate variables, right transformation methods of the variables, and tuning of the parameters of the models. In this work, we present a very robust and accurate framework of stock price prediction that consists of an agglomeration of statistical, machine learning and deep learning models. We use the daily stock price data, collected at five minutes interval of time, of a very well known company that is listed in the National Stock Exchange (NSE) of India. The granular data is aggregated into three slots in a day, and the aggregated data is used for building and training the forecasting models. We contend that the agglomerative approach of model building that uses a combination of statistical, machine learning, and deep learning approaches, can very effectively learn from the volatile and random movement patterns in a stock price data. We build eight classification and eight regression models based on statistical and machine learning approaches. In addition to these models, a deep learning regression model using a long-and-short-term memory (LSTM) network is also built. Extensive results have been presented on the performance of these models, and the results are critically analyzed.

Cosmological simulations provide a wealth of data in the form of point clouds and directed trees. A crucial goal is to extract insights from this data that shed light on the nature and composition of the Universe. In this paper we introduce CosmoBench, a benchmark dataset curated from state-of-the-art cosmological simulations whose runs required more than 41 million core-hours and generated over two petabytes of data. CosmoBench is the largest dataset of its kind: it contains 34 thousand point clouds from simulations of dark matter halos and galaxies at three different length scales, as well as 25 thousand directed trees that record the formation history of halos on two different time scales. The data in CosmoBench can be used for multiple tasks -- to predict cosmological parameters from point clouds and merger trees, to predict the velocities of individual halos and galaxies from their collective positions, and to reconstruct merger trees on finer time scales from those on coarser time scales. We provide several baselines on these tasks, some based on established approaches from cosmological modeling and others rooted in machine learning. For the latter, we study different approaches -- from simple linear models that are minimally constrained by symmetries to much larger and more computationally-demanding models in deep learning, such as graph neural networks. We find that least-squares fits with a handful of invariant features sometimes outperform deep architectures with many more parameters and far longer training times. Still there remains tremendous potential to improve these baselines by combining machine learning and cosmology to fully exploit the data. CosmoBench sets the stage for bridging cosmology and geometric deep learning at scale. We invite the community to push the frontier of scientific discovery by engaging with this dataset, available at https://cosmobench.streamlit.app

Surface wave dispersion curve inversion plays a critical role in both shallow resource exploration and deep geological studies, yet it remains hindered by sensitivity to initial models and low computational efficiency. Recently, data-driven deep learning methods, inspired by advances in computer vision, have shown promising potential to address these challenges. However, the lack of large-scale, diverse benchmark datasets remains a major obstacle to their development and evaluation. To bridge this gap, we present OpenSWI, a comprehensive benchmark dataset generated through the Surface Wave Inversion Dataset Preparation (SWIDP) pipeline. OpenSWI includes two synthetic datasets tailored to different research scales and scenarios, OpenSWI-shallow and OpenSWI-deep, and an AI-ready real-world dataset for generalization evaluation, OpenSWI-real. OpenSWI-shallow, derived from the 2-D OpenFWI geological model dataset, contains over 22 million 1-D velocity profiles paired with fundamental-mode phase and group velocity dispersion curves, spanning a wide range of shallow geological structures (e.g., flat layers, faults, folds, realistic stratigraphy). OpenSWI-deep, built from 14 global and regional 3-D geological models, comprises 1.26 million high-fidelity 1-D velocity-dispersion pairs for deep-Earth studies. OpenSWI-real, compiled from open-source projects, contains two sets of observed dispersion curves with corresponding reference models, serving as a benchmark for evaluating model generalization. To demonstrate utility, we trained models on OpenSWI-shallow and -deep and evaluated them on OpenSWI-real, demonstrating strong agreement between predictions and references, which confirms the diversity and representativeness of the dataset. To advance intelligent surface wave inversion, we release the SWIDP toolbox, OpenSWI datasets, and trained models for the research community.

Loss landscape is a useful tool to characterize and compare neural network models. The main challenge for analysis of loss landscape for the deep neural networks is that they are generally highly non-convex in very high dimensional space. In this paper, we develop "the roughness"concept for understanding such landscapes in high dimensions and apply this technique to study two neural network models arising from solving differential equations. Our main innovation is the proposal of a well-defined and easy-to-compute roughness index (RI) which is based on the mean and variance of the (normalized) total variation for one-dimensional functions projected on randomly sampled directions. A large RI at the local minimizer hints an oscillatory landscape profile and indicates a severe challenge for the first-order optimization method. Particularly, we observe the increasing-then-decreasing pattern for RI along the gradient descent path in most models. We apply our method to two types of loss functions used to solve partial differential equations (PDEs) when the solution of PDE is parametrized by neural networks. Our empirical results on these PDE problems reveal important and consistent observations that the landscapes from the deep Galerkin method around its local minimizers are less rough than the deep Ritz method.

With the advent of deep learning, neural network-based recommendation models have emerged as an important tool for tackling personalization and recommendation tasks. These networks differ significantly from other deep learning networks due to their need to handle categorical features and are not well studied or understood. In this paper, we develop a state-of-the-art deep learning recommendation model (DLRM) and provide its implementation in both PyTorch and Caffe2 frameworks. In addition, we design a specialized parallelization scheme utilizing model parallelism on the embedding tables to mitigate memory constraints while exploiting data parallelism to scale-out compute from the fully-connected layers. We compare DLRM against existing recommendation models and characterize its performance on the Big Basin AI platform, demonstrating its usefulness as a benchmark for future algorithmic experimentation and system co-design.

Popular approaches for quantifying predictive uncertainty in deep neural networks often involve distributions over weights or multiple models, for instance via Markov Chain sampling, ensembling, or Monte Carlo dropout. These techniques usually incur overhead by having to train multiple model instances or do not produce very diverse predictions. This comprehensive and extensive survey aims to familiarize the reader with an alternative class of models based on the concept of Evidential Deep Learning: For unfamiliar data, they aim to admit "what they don't know", and fall back onto a prior belief. Furthermore, they allow uncertainty estimation in a single model and forward pass by parameterizing distributions over distributions. This survey recapitulates existing works, focusing on the implementation in a classification setting, before surveying the application of the same paradigm to regression. We also reflect on the strengths and weaknesses compared to other existing methods and provide the most fundamental derivations using a unified notation to aid future research.

Neural collapse (NC) is a phenomenon observed in classification tasks where top-layer representations collapse into their class means, which become equinorm, equiangular and aligned with the classifiers. These behaviors -- associated with generalization and robustness -- would manifest under specific conditions: models are trained towards zero loss, with noise-free labels belonging to balanced classes, which do not outnumber the model's hidden dimension. Recent studies have explored NC in the absence of one or more of these conditions to extend and capitalize on the associated benefits of ideal geometries. Language modeling presents a curious frontier, as training by token prediction constitutes a classification task where none of the conditions exist: the vocabulary is imbalanced and exceeds the embedding dimension; different tokens might correspond to similar contextual embeddings; and large language models (LLMs) in particular are typically only trained for a few epochs. This paper empirically investigates the impact of scaling the architectures and training of causal language models (CLMs) on their progression towards NC. We find that NC properties that develop with scaling are linked to generalization. Moreover, there is evidence of some relationship between NC and generalization independent of scale. Our work therefore underscores the generality of NC as it extends to the novel and more challenging setting of language modeling. Downstream, we seek to inspire further research on the phenomenon to deepen our understanding of LLMs -- and neural networks at large -- and improve existing architectures based on NC-related properties.

This work presents AstroPT, an autoregressive pretrained transformer developed with astronomical use-cases in mind. The AstroPT models presented here have been pretrained on 8.6 million 512 times 512 pixel grz-band galaxy postage stamp observations from the DESI Legacy Survey DR8. We train a selection of foundation models of increasing size from 1 million to 2.1 billion parameters, and find that AstroPT follows a similar saturating log-log scaling law to textual models. We also find that the models' performances on downstream tasks as measured by linear probing improves with model size up to the model parameter saturation point. We believe that collaborative community development paves the best route towards realising an open source `Large Observation Model' -- a model trained on data taken from the observational sciences at the scale seen in natural language processing. To this end, we release the source code, weights, and dataset for AstroPT under the MIT license, and invite potential collaborators to join us in collectively building and researching these models.

Observed dwarf galaxies tend to have linearly rising rotation curves, which indicate flat density cores in their centers. Furthermore, disk galaxies show a wide range of rotation curves shapes. High resolution simulations of cold collisionless dark matter do not reproduce flat central profiles, or the observed diversity of rotation curve shapes; even hydrodynamic simulations incorporating baryonic feedback cannot do that robustly. However, numerical simulations are not the only way to make predictions about density profiles of equilibrium dark matter halos. A theoretical model based on statistical mechanics shows that maximum entropy solutions for cold collisionless self-gravitating dark matter halos can have a range of inner density profiles, including flat density cores. These theoretical profiles, called DARKexp, have only one shape parameter, and are able to fit the observed rotation curves of galaxies with last measured velocities in the range ~20-200 km/s. Here we present fits to 96 SPARC catalog galaxies, and the Milky Way. DARKexp also provides good fits to the projected stellar density distributions of ultrafaint dwarfs that show cores, suggesting that the dark matter halo hosts could have flat density cores. Thus, DARKexp appears to be able to address the core-cusp problem and the diversity of rotation curves with cold collisionless dark matter alone, without baryonic feedback.

The study of jet-inflated X-ray cavities provides a powerful insight into the energetics of hot galactic atmospheres and radio-mechanical AGN feedback. By estimating the volumes of X-ray cavities, the total energy and thus also the corresponding mechanical jet power required for their inflation can be derived. Properly estimating their total extent is, however, non-trivial, prone to biases, nearly impossible for poor-quality data, and so far has been done manually by scientists. We present a novel and automated machine-learning pipeline called Cavity Detection Tool (CADET), developed to detect and estimate the sizes of X-ray cavities from raw Chandra images. The pipeline consists of a convolutional neural network trained for producing pixel-wise cavity predictions and a DBSCAN clustering algorithm, which decomposes the predictions into individual cavities. The convolutional network was trained using mock observations of early-type galaxies simulated to resemble real noisy Chandra-like images. The network's performance has been tested on simulated data obtaining an average cavity volume error of 14 % at an 89 % true-positive rate. For simulated images without any X-ray cavities inserted, we obtain a 5 % false-positive rate. When applied to real Chandra images, the pipeline recovered 91 out of 100 previously known X-ray cavities in nearby early-type galaxies and all 14 cavities in chosen galaxy clusters. Besides that, the CADET pipeline discovered 8 new cavity pairs in atmospheres of early-type galaxies and galaxy clusters (IC4765, NGC533, NGC2300, NGC3091, NGC4073, NGC4125, NGC4472, NGC5129) and a number of potential cavity candidates.

Deep learning-based methods have been widely researched in the areas of language and vision, demonstrating their capacity to understand long sequences of data and their usefulness in numerous helio-physics applications. Foundation models (FMs), which are pre-trained on a large-scale datasets, form the basis for a variety of downstream tasks. These models, especially those based on transformers in vision and language, show exceptional potential for adapting to a wide range of downstream applications. In this paper, we provide our perspective on the criteria for designing an FM for heliophysics and associated challenges and applications using the Solar Dynamics Observatory (SDO) dataset. We believe that this is the first study to design an FM in the domain of heliophysics.

The strong-field gravity in General Relativity (GR) realized in neutron stars (NSs) renders the Equation of State (EOS) P(varepsilon) of supradense neutron star (NS) matter to be essentially nonlinear and refines the upper bound for phiequiv P/varepsilon to be much smaller than the Special Relativity (SR) requirement with linear EOSs, where P and varepsilon are respectively the pressure and energy density of the system considered. Specifically, a tight bound philesssim0.374 is obtained by anatomizing perturbatively the intrinsic structures of the scaled Tolman--Oppenheimer--Volkoff (TOV) equations without using any input nuclear EOS. New insights gained from this novel analysis provide EOS-model independent constraints on properties (e.g., density profiles of the sound speed squared s^2=d P/dvarepsilon and trace anomaly Delta=1/3-phi) of cold supradense matter in NS cores. Using the gravity-matter duality in theories describing NSs, we investigate the impact of gravity on supradense matter EOS in NSs. In particular, we show that the NS mass M_{NS}, radius R and its compactness xiequiv M_{NS}/R scale with certain combinations of its central pressure and energy density (encapsulating its central EOS). Thus, observational data on these properties of NSs can straightforwardly constrain NS central EOSs without relying on any specific nuclear EOS-model.

Recurrent Neural Networks (RNNs) offer fast inference on long sequences but are hard to optimize and slow to train. Deep state-space models (SSMs) have recently been shown to perform remarkably well on long sequence modeling tasks, and have the added benefits of fast parallelizable training and RNN-like fast inference. However, while SSMs are superficially similar to RNNs, there are important differences that make it unclear where their performance boost over RNNs comes from. In this paper, we show that careful design of deep RNNs using standard signal propagation arguments can recover the impressive performance of deep SSMs on long-range reasoning tasks, while also matching their training speed. To achieve this, we analyze and ablate a series of changes to standard RNNs including linearizing and diagonalizing the recurrence, using better parameterizations and initializations, and ensuring proper normalization of the forward pass. Our results provide new insights on the origins of the impressive performance of deep SSMs, while also introducing an RNN block called the Linear Recurrent Unit that matches both their performance on the Long Range Arena benchmark and their computational efficiency.

We explore adapting foundation models (FMs) from the computer vision domain to geoscience. FMs, large neural networks trained on massive datasets, excel in diverse tasks with remarkable adaptability and generality. However, geoscience faces challenges like lacking curated training datasets and high computational costs for developing specialized FMs. This study considers adapting FMs from computer vision to geoscience, analyzing their scale, adaptability, and generality for geoscientific data analysis. We introduce a workflow that leverages existing computer vision FMs, fine-tuning them for geoscientific tasks, reducing development costs while enhancing accuracy. Through experiments, we demonstrate this workflow's effectiveness in broad applications to process and interpret geoscientific data of lunar images, seismic data, DAS arrays and so on. Our findings introduce advanced ML techniques to geoscience, proving the feasibility and advantages of cross-domain FMs adaptation, driving further advancements in geoscientific data analysis and offering valuable insights for FMs applications in other scientific domains.

One of the central challenges in modern cosmology is understanding the nature of dark energy and its evolution throughout the history of the Universe. Dark energy is commonly modeled as a perfect fluid with a time-varying equation-of-state parameter, w(z), often modeled under CPL parametrization using two parameters w_0 and w_a. In this study, we explore both parametric and non-parametric methods to reconstruct the dark energy Equation of State (EoS) using Gravitational Wave (GW) sources, with and without electromagnetic (EM) counterparts called as bright sirens and dark sirens respectively. In the parametric approach, we extend the widely used w_0-w_a model by introducing an additional term, w_b, to better capture the evolving dynamics of dark energy up to high redshift which is accessible from GW sources. This extension provides increased flexibility in modeling the EoS and enables a more detailed investigation of dark energy's evolution. Our analysis indicates that, with five years of observation time and a 75% duty cycle using Cosmic Explorer and the Einstein Telescope, it will be possible to measure the dark energy EoS with remarkable precision better than any other cosmological probes in the coming years from bright standard sirens using multi-messenger avenue. These findings highlight the potential of GW observations in synergy with EM telescopes to offer valuable insights into the nature of dark energy, overcoming the current limitations in cosmological measurements.

The last few years have seen the development of numerous deep learning-based protein-ligand docking methods. They offer huge promise in terms of speed and accuracy. However, despite claims of state-of-the-art performance in terms of crystallographic root-mean-square deviation (RMSD), upon closer inspection, it has become apparent that they often produce physically implausible molecular structures. It is therefore not sufficient to evaluate these methods solely by RMSD to a native binding mode. It is vital, particularly for deep learning-based methods, that they are also evaluated on steric and energetic criteria. We present PoseBusters, a Python package that performs a series of standard quality checks using the well-established cheminformatics toolkit RDKit. Only methods that both pass these checks and predict native-like binding modes should be classed as having "state-of-the-art" performance. We use PoseBusters to compare five deep learning-based docking methods (DeepDock, DiffDock, EquiBind, TankBind, and Uni-Mol) and two well-established standard docking methods (AutoDock Vina and CCDC Gold) with and without an additional post-prediction energy minimisation step using a molecular mechanics force field. We show that both in terms of physical plausibility and the ability to generalise to examples that are distinct from the training data, no deep learning-based method yet outperforms classical docking tools. In addition, we find that molecular mechanics force fields contain docking-relevant physics missing from deep-learning methods. PoseBusters allows practitioners to assess docking and molecular generation methods and may inspire new inductive biases still required to improve deep learning-based methods, which will help drive the development of more accurate and more realistic predictions.

We show that deep neural networks (DNNs) can efficiently learn any composition of functions with bounded F_{1}-norm, which allows DNNs to break the curse of dimensionality in ways that shallow networks cannot. More specifically, we derive a generalization bound that combines a covering number argument for compositionality, and the F_{1}-norm (or the related Barron norm) for large width adaptivity. We show that the global minimizer of the regularized loss of DNNs can fit for example the composition of two functions f^{*}=hcirc g from a small number of observations, assuming g is smooth/regular and reduces the dimensionality (e.g. g could be the modulo map of the symmetries of f^{*}), so that h can be learned in spite of its low regularity. The measures of regularity we consider is the Sobolev norm with different levels of differentiability, which is well adapted to the F_{1} norm. We compute scaling laws empirically and observe phase transitions depending on whether g or h is harder to learn, as predicted by our theory.

In this work, we consider the problem of deriving and incorporating accurate dynamic models for model predictive control (MPC) with an application to quadrotor control. MPC relies on precise dynamic models to achieve the desired closed-loop performance. However, the presence of uncertainties in complex systems and the environments they operate in poses a challenge in obtaining sufficiently accurate representations of the system dynamics. In this work, we make use of a deep learning tool, knowledge-based neural ordinary differential equations (KNODE), to augment a model obtained from first principles. The resulting hybrid model encompasses both a nominal first-principle model and a neural network learnt from simulated or real-world experimental data. Using a quadrotor, we benchmark our hybrid model against a state-of-the-art Gaussian Process (GP) model and show that the hybrid model provides more accurate predictions of the quadrotor dynamics and is able to generalize beyond the training data. To improve closed-loop performance, the hybrid model is integrated into a novel MPC framework, known as KNODE-MPC. Results show that the integrated framework achieves 60.2% improvement in simulations and more than 21% in physical experiments, in terms of trajectory tracking performance.

In the era of mega-constellations, the need for accurate and publicly available information has become fundamental for satellite operators to guarantee the safety of spacecrafts and the Low Earth Orbit (LEO) space environment. This study critically evaluates the accuracy and reliability of publicly available ephemeris data for a LEO mega-constellation - Starlink. The goal of this work is twofold: (i) compare and analyze the quality of the data against high-precision numerical propagation. (ii) Leverage Physics-Informed Machine Learning to extract relevant satellite quantities, such as non-conservative forces, during the decay process. By analyzing two months of real orbital data for approximately 1500 Starlink satellites, we identify discrepancies between high precision numerical algorithms and the published ephemerides, recognizing the use of simplified dynamics at fixed thresholds, planned maneuvers, and limitations in uncertainty propagations. Furthermore, we compare data obtained from multiple sources to track and analyze deorbiting satellites over the same period. Empirically, we extract the acceleration profile of satellites during deorbiting and provide insights relating to the effects of non-conservative forces during reentry. For non-deorbiting satellites, the position Root Mean Square Error (RMSE) was approximately 300 m, while for deorbiting satellites it increased to about 600 m. Through this in-depth analysis, we highlight potential limitations in publicly available data for accurate and robust Space Situational Awareness (SSA), and importantly, we propose a data-driven model of satellite decay in mega-constellations.

Transfer learning has gained significant attention in recent deep learning research due to its ability to accelerate convergence and enhance performance on new tasks. However, its success is often contingent on the similarity between source and target data, and training on numerous datasets can be costly, leading to blind selection of pretrained models with limited insight into their effectiveness. To address these challenges, we introduce D2NWG, a diffusion-based neural network weights generation technique that efficiently produces high-performing weights for transfer learning, conditioned on the target dataset. Our method extends generative hyper-representation learning to recast the latent diffusion paradigm for neural network weights generation, learning the weight distributions of models pretrained on various datasets. This allows for automatic generation of weights that generalize well across both seen and unseen tasks, outperforming state-of-the-art meta-learning methods and pretrained models. Moreover, our approach is scalable to large architectures such as large language models (LLMs), overcoming the limitations of current parameter generation techniques that rely on task-specific model collections or access to original training data. By modeling the parameter distribution of LLMs, D2NWG enables task-specific parameter generation without requiring additional fine-tuning or large collections of model variants. Extensive experiments show that our method consistently enhances the performance of diverse base models, regardless of their size or complexity, positioning it as a robust solution for scalable transfer learning.

Language models (LMs) built upon deep neural networks (DNNs) have recently demonstrated breakthrough effectiveness in software engineering tasks such as code generation, completion, and repair. This has paved the way for the emergence of LM-based code optimization techniques, which are crucial for enhancing the performance of existing programs, such as accelerating program execution time. However, a comprehensive survey dedicated to this specific application has been lacking. To fill this gap, we present a systematic literature review of over 50 primary studies, identifying emerging trends and addressing 11 specialized questions. Our findings reveal five critical open challenges, such as balancing model complexity with practical usability, cross-language/performance generalizability, and building trust in AI-driven solutions. Furthermore, we provide eight future research directions to facilitate more efficient, robust, and reliable LM-based code optimization. Thereby, this study aims to provide actionable insights and foundational references for both researchers and practitioners in this rapidly evolving field.

Sparse autoencoders (SAEs) are a promising technique for decomposing language model activations into interpretable linear features. However, current SAEs fall short of completely explaining model performance, resulting in "dark matter": unexplained variance in activations. This work investigates dark matter as an object of study in its own right. Surprisingly, we find that much of SAE dark matter--about half of the error vector itself and >90% of its norm--can be linearly predicted from the initial activation vector. Additionally, we find that the scaling behavior of SAE error norms at a per token level is remarkably predictable: larger SAEs mostly struggle to reconstruct the same contexts as smaller SAEs. We build on the linear representation hypothesis to propose models of activations that might lead to these observations, including postulating a new type of "introduced error"; these insights imply that the part of the SAE error vector that cannot be linearly predicted ("nonlinear" error) might be fundamentally different from the linearly predictable component. To validate this hypothesis, we empirically analyze nonlinear SAE error and show that 1) it contains fewer not yet learned features, 2) SAEs trained on it are quantitatively worse, 3) it helps predict SAE per-token scaling behavior, and 4) it is responsible for a proportional amount of the downstream increase in cross entropy loss when SAE activations are inserted into the model. Finally, we examine two methods to reduce nonlinear SAE error at a fixed sparsity: inference time gradient pursuit, which leads to a very slight decrease in nonlinear error, and linear transformations from earlier layer SAE outputs, which leads to a larger reduction.

These lectures give an introduction to the theory of holographic superconductors. These are superconductors that have a dual gravitational description using gauge/gravity duality. After introducing a suitable gravitational theory, we discuss its properties in various regimes: the probe limit, the effects of backreaction, the zero temperature limit, and the addition of magnetic fields. Using the gauge/gravity dictionary, these properties reproduce many of the standard features of superconductors. Some familiarity with gauge/gravity duality is assumed. A list of open problems is included at the end.

In this paper, we introduce the Curse of Depth, a concept that highlights, explains, and addresses the recent observation in modern Large Language Models(LLMs) where nearly half of the layers are less effective than expected. We first confirm the wide existence of this phenomenon across the most popular families of LLMs such as Llama, Mistral, DeepSeek, and Qwen. Our analysis, theoretically and empirically, identifies that the underlying reason for the ineffectiveness of deep layers in LLMs is the widespread usage of Pre-Layer Normalization (Pre-LN). While Pre-LN stabilizes the training of Transformer LLMs, its output variance exponentially grows with the model depth, which undesirably causes the derivative of the deep Transformer blocks to be an identity matrix, and therefore barely contributes to the training. To resolve this training pitfall, we propose LayerNorm Scaling, which scales the variance of output of the layer normalization inversely by the square root of its depth. This simple modification mitigates the output variance explosion of deeper Transformer layers, improving their contribution. Our experimental results, spanning model sizes from 130M to 1B, demonstrate that LayerNorm Scaling significantly enhances LLM pre-training performance compared to Pre-LN. Moreover, this improvement seamlessly carries over to supervised fine-tuning. All these gains can be attributed to the fact that LayerNorm Scaling enables deeper layers to contribute more effectively during training.

Physics-informed deep learning often faces optimization challenges due to the complexity of solving partial differential equations (PDEs), which involve exploring large solution spaces, require numerous iterations, and can lead to unstable training. These challenges arise particularly from the ill-conditioning of the optimization problem caused by the differential terms in the loss function. To address these issues, we propose learning a solver, i.e., solving PDEs using a physics-informed iterative algorithm trained on data. Our method learns to condition a gradient descent algorithm that automatically adapts to each PDE instance, significantly accelerating and stabilizing the optimization process and enabling faster convergence of physics-aware models. Furthermore, while traditional physics-informed methods solve for a single PDE instance, our approach extends to parametric PDEs. Specifically, we integrate the physical loss gradient with PDE parameters, allowing our method to solve over a distribution of PDE parameters, including coefficients, initial conditions, and boundary conditions. We demonstrate the effectiveness of our approach through empirical experiments on multiple datasets, comparing both training and test-time optimization performance. The code is available at https://github.com/2ailesB/neural-parametric-solver.

Shape optimization is essential in aerospace vehicle design, including reentry systems, and propulsion system components, as it directly influences aerodynamic efficiency, structural integrity, and overall mission success. Rapid and accurate prediction of external and internal flows accelerates design iterations. To this end, we develop a new variant of DeepONet, called Fusion-DeepONet as a fast surrogate model for geometry-dependent hypersonic and supersonic flow fields. We evaluated Fusion-DeepONet in learning two external hypersonic flows and a supersonic shape-dependent internal flow problem. First, we compare the performance of Fusion-DeepONet with state-of-the-art neural operators to learn inviscid hypersonic flow around semi-elliptic blunt bodies for two grid types: uniform Cartesian and irregular grids. Fusion-DeepONet provides comparable accuracy to parameter-conditioned U-Net on uniform grids while outperforming MeshGraphNet and Vanilla-DeepONet on irregular grids. Fusion-DeepONet requires significantly fewer trainable parameters than U-Net, MeshGraphNet, and FNO. For the second hypersonic problem, we set up Fusion-DeepONet to map from geometry and free stream Mach number to the temperature field around a reentry capsule traveling at hypersonic speed. This fast surrogate is then improved to predict the spatial derivative of the temperature, resulting in an accurate prediction of heat flux at the surfaces of the capsule. To enhance the accuracy of spatial derivative prediction, we introduce a derivative-enhanced loss term with the least computation overhead. For the third problem, we show that Fusion-DeepONet outperforms MeshGraphNet in learning geometry-dependent supersonic flow in a converging-diverging nozzle configuration. For all the problems, we used high-fidelity simulations with a high-order entropy-stable DGSEM solver to generate training datasets with limited samples.

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this paper, we present GraphSplineNets, a novel deep-learning method to speed up the forecasting of physical systems by reducing the grid size and number of iteration steps of deep surrogate models. Our method uses two differentiable orthogonal spline collocation methods to efficiently predict response at any location in time and space. Additionally, we introduce an adaptive collocation strategy in space to prioritize sampling from the most important regions. GraphSplineNets improve the accuracy-speedup tradeoff in forecasting various dynamical systems with increasing complexity, including the heat equation, damped wave propagation, Navier-Stokes equations, and real-world ocean currents in both regular and irregular domains.

Deep learning methods employ multiple processing layers to learn hierarchical representations of data and have produced state-of-the-art results in many domains. Recently, a variety of model designs and methods have blossomed in the context of natural language processing (NLP). In this paper, we review significant deep learning related models and methods that have been employed for numerous NLP tasks and provide a walk-through of their evolution. We also summarize, compare and contrast the various models and put forward a detailed understanding of the past, present and future of deep learning in NLP.

Weight decay is a broadly used technique for training state-of-the-art deep networks from image classification to large language models. Despite its widespread usage and being extensively studied in the classical literature, its role remains poorly understood for deep learning. In this work, we highlight that the role of weight decay in modern deep learning is different from its regularization effect studied in classical learning theory. For deep networks on vision tasks trained with multipass SGD, we show how weight decay modifies the optimization dynamics enhancing the ever-present implicit regularization of SGD via the loss stabilization mechanism. In contrast, for large language models trained with nearly one-epoch training, we describe how weight decay balances the bias-variance tradeoff in stochastic optimization leading to lower training loss and improved training stability. Overall, we present a unifying perspective from ResNets on vision tasks to LLMs: weight decay is never useful as an explicit regularizer but instead changes the training dynamics in a desirable way. The code is available at https://github.com/tml-epfl/why-weight-decay

In medical applications, deep learning methods are built to automate diagnostic tasks. However, a clinically relevant question that practitioners usually face, is how to predict the future trajectory of a disease (prognosis). Current methods for such a problem often require domain knowledge, and are complicated to apply. In this paper, we formulate the prognosis prediction problem as a one-to-many forecasting problem from multimodal data. Inspired by a clinical decision-making process with two agents -- a radiologist and a general practitioner, we model a prognosis prediction problem with two transformer-based components that share information between each other. The first block in this model aims to analyze the imaging data, and the second block leverages the internal representations of the first one as inputs, also fusing them with auxiliary patient data. We show the effectiveness of our method in predicting the development of structural knee osteoarthritis changes over time. Our results show that the proposed method outperforms the state-of-the-art baselines in terms of various performance metrics. In addition, we empirically show that the existence of the multi-agent transformers with depths of 2 is sufficient to achieve good performances. Our code is publicly available at https://github.com/MIPT-Oulu/CLIMAT.

We propose a neural physics system for real-time, interactive fluid simulations. Traditional physics-based methods, while accurate, are computationally intensive and suffer from latency issues. Recent machine-learning methods reduce computational costs while preserving fidelity; yet most still fail to satisfy the latency constraints for real-time use and lack support for interactive applications. To bridge this gap, we introduce a novel hybrid method that integrates numerical simulation, neural physics, and generative control. Our neural physics jointly pursues low-latency simulation and high physical fidelity by employing a fallback safeguard to classical numerical solvers. Furthermore, we develop a diffusion-based controller that is trained using a reverse modeling strategy to generate external dynamic force fields for fluid manipulation. Our system demonstrates robust performance across diverse 2D/3D scenarios, material types, and obstacle interactions, achieving real-time simulations at high frame rates (11~29% latency) while enabling fluid control guided by user-friendly freehand sketches. We present a significant step towards practical, controllable, and physically plausible fluid simulations for real-time interactive applications. We promise to release both models and data upon acceptance.

This review gives an overview of the development of machine learning in geoscience. A thorough analysis of the co-developments of machine learning applications throughout the last 70 years relates the recent enthusiasm for machine learning to developments in geoscience. I explore the shift of kriging towards a mainstream machine learning method and the historic application of neural networks in geoscience, following the general trend of machine learning enthusiasm through the decades. Furthermore, this chapter explores the shift from mathematical fundamentals and knowledge in software development towards skills in model validation, applied statistics, and integrated subject matter expertise. The review is interspersed with code examples to complement the theoretical foundations and illustrate model validation and machine learning explainability for science. The scope of this review includes various shallow machine learning methods, e.g. Decision Trees, Random Forests, Support-Vector Machines, and Gaussian Processes, as well as, deep neural networks, including feed-forward neural networks, convolutional neural networks, recurrent neural networks and generative adversarial networks. Regarding geoscience, the review has a bias towards geophysics but aims to strike a balance with geochemistry, geostatistics, and geology, however excludes remote sensing, as this would exceed the scope. In general, I aim to provide context for the recent enthusiasm surrounding deep learning with respect to research, hardware, and software developments that enable successful application of shallow and deep machine learning in all disciplines of Earth science.

Deep neural networks coupled with fast simulation and improved computation have led to recent successes in the field of reinforcement learning (RL). However, most current RL-based approaches fail to generalize since: (a) the gap between simulation and real world is so large that policy-learning approaches fail to transfer; (b) even if policy learning is done in real world, the data scarcity leads to failed generalization from training to test scenarios (e.g., due to different friction or object masses). Inspired from H-infinity control methods, we note that both modeling errors and differences in training and test scenarios can be viewed as extra forces/disturbances in the system. This paper proposes the idea of robust adversarial reinforcement learning (RARL), where we train an agent to operate in the presence of a destabilizing adversary that applies disturbance forces to the system. The jointly trained adversary is reinforced -- that is, it learns an optimal destabilization policy. We formulate the policy learning as a zero-sum, minimax objective function. Extensive experiments in multiple environments (InvertedPendulum, HalfCheetah, Swimmer, Hopper and Walker2d) conclusively demonstrate that our method (a) improves training stability; (b) is robust to differences in training/test conditions; and c) outperform the baseline even in the absence of the adversary.

Diffusion models are generative models that have recently demonstrated impressive performances in terms of sampling quality and density estimation in high dimensions. They rely on a forward continuous diffusion process and a backward continuous denoising process, which can be described by a time-dependent vector field and is used as a generative model. In the original formulation of the diffusion model, this vector field is assumed to be the score function (i.e. it is the gradient of the log-probability at a given time in the diffusion process). Curiously, on the practical side, most studies on diffusion models implement this vector field as a neural network function and do not constrain it be the gradient of some energy function (that is, most studies do not constrain the vector field to be conservative). Even though some studies investigated empirically whether such a constraint will lead to a performance gain, they lead to contradicting results and failed to provide analytical results. Here, we provide three analytical results regarding the extent of the modeling freedom of this vector field. {Firstly, we propose a novel decomposition of vector fields into a conservative component and an orthogonal component which satisfies a given (gauge) freedom. Secondly, from this orthogonal decomposition, we show that exact density estimation and exact sampling is achieved when the conservative component is exactly equals to the true score and therefore conservativity is neither necessary nor sufficient to obtain exact density estimation and exact sampling. Finally, we show that when it comes to inferring local information of the data manifold, constraining the vector field to be conservative is desirable.

We introduce a new model for the accretion and feedback of supermassive black hole (SMBH) binaries to the KETJU code, which enables us to resolve the evolution of SMBH binaries down to separations of tens of Schwarzschild radii in gas-rich galaxy mergers. Our subgrid binary accretion model extends the widely used Bondi--Hoyle--Lyttleton accretion into the binary phase and incorporates preferential mass accretion onto the secondary SMBH, which is motivated by results from small-scale hydrodynamical circumbinary disc simulations. We perform idealised gas-rich disc galaxy merger simulations using pure thermal or pure kinetic active galactic nuclei (AGN) feedback. Our binary accretion model provides more physically motivated SMBH mass ratios, which are one of the key parameters for computing gravitational wave (GW) induced recoil velocities. The merger time-scales of our simulated SMBH binaries are in the range t_{rm merge}{sim} 10--400 Myr. Prograde in-plane equal-mass galaxy mergers lead to the shortest merger time-scales, as they experience the strongest starbursts, with the ensuing high stellar density resulting in a rapid SMBH coalescence. Compared to the thermal AGN feedback, the kinetic AGN feedback predicts longer merger time-scales and results in more core-like stellar profiles, as it is more effective in removing gas from the galaxy centre and quenching star formation. This suggests that the AGN feedback implementation plays a critical role in modelling SMBH coalescences. Our model will be useful for improving the modelling of SMBH mergers in gas-rich galaxies, the prime targets for the upcoming LISA GW observatory.

We demonstrate that violent kinetic preheating following inflation can lead to the formation of black holes in the early Universe. In alpha-attractor models with derivative inflaton couplings, nonlinear amplification of field fluctuations drives large spacetime curvature and gravitational collapse shortly after inflation ends. Using fully general-relativistic lattice simulations, we find that these dynamics produce black holes with masses of order tens of grams at sub-horizon scales, without requiring large primordial curvature perturbations. Although such micro-black holes evaporate rapidly via Hawking radiation, their formation modifies the post-inflationary equation of state and their evaporation can successfully reheat the Universe before Big Bang nucleosynthesis. These results identify kinetic preheating as a new, efficient channel for black-hole production and establish a direct connection between inflationary symmetries and strong-gravity phenomena at reheating.

In this paper, we introduce TimeGPT, the first foundation model for time series, capable of generating accurate predictions for diverse datasets not seen during training. We evaluate our pre-trained model against established statistical, machine learning, and deep learning methods, demonstrating that TimeGPT zero-shot inference excels in performance, efficiency, and simplicity. Our study provides compelling evidence that insights from other domains of artificial intelligence can be effectively applied to time series analysis. We conclude that large-scale time series models offer an exciting opportunity to democratize access to precise predictions and reduce uncertainty by leveraging the capabilities of contemporary advancements in deep learning.

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across sectors from drug development to renewable energy. To answer this call, we present DeepSpeed4Science initiative (deepspeed4science.ai) which aims to build unique capabilities through AI system technology innovations to help domain experts to unlock today's biggest science mysteries. By leveraging DeepSpeed's current technology pillars (training, inference and compression) as base technology enablers, DeepSpeed4Science will create a new set of AI system technologies tailored for accelerating scientific discoveries by addressing their unique complexity beyond the common technical approaches used for accelerating generic large language models (LLMs). In this paper, we showcase the early progress we made with DeepSpeed4Science in addressing two of the critical system challenges in structural biology research.

This paper deals with the formation and evolution of Mars' moons, Phobos and Deimos, assuming the dislocation of a larger progenitor as the origin of these moons. The study by Hyodo et al. (2022) argue that under somewhat simplistic modeling, the post-dislocation orbits of Phobos and Deimos inevitably collide within 10,000 years, leading to their mutual annihilation. These findings are based on N-body simulations, accounting for Mars' J_2 and J_4 gravitational perturbations and mutual perturbations between the moons. In this paper, we challenge these findings by extending their work. We incorporate important perturbations such as solar perturbations, Mars' axial precession and nutation, and its deformation along three axes. We also extend some of the hypotheses made by Hyodo et al. (2022) concerning the initial distribution of Phobos and Deimos after the dislocation. Our analysis reveals that including these additional perturbations as well as the possibility of having more than two fragments after the dislocation does not alter the ultimate fate of Phobos and Deimos. The moons still converge towards collision within comparable timescales, supporting Hyodo et al. (2022) conclusions that the dislocation hypothesis under the dynamical scenario developed by Bagheri et al. (2021) has, in the best conditions, about 10\% chance of surviving after the first 100,000 years following their formation.

Astronomers have typically set out to solve supervised machine learning problems by creating their own representations from scratch. We show that deep learning models trained to answer every Galaxy Zoo DECaLS question learn meaningful semantic representations of galaxies that are useful for new tasks on which the models were never trained. We exploit these representations to outperform several recent approaches at practical tasks crucial for investigating large galaxy samples. The first task is identifying galaxies of similar morphology to a query galaxy. Given a single galaxy assigned a free text tag by humans (e.g. "#diffuse"), we can find galaxies matching that tag for most tags. The second task is identifying the most interesting anomalies to a particular researcher. Our approach is 100% accurate at identifying the most interesting 100 anomalies (as judged by Galaxy Zoo 2 volunteers). The third task is adapting a model to solve a new task using only a small number of newly-labelled galaxies. Models fine-tuned from our representation are better able to identify ring galaxies than models fine-tuned from terrestrial images (ImageNet) or trained from scratch. We solve each task with very few new labels; either one (for the similarity search) or several hundred (for anomaly detection or fine-tuning). This challenges the longstanding view that deep supervised methods require new large labelled datasets for practical use in astronomy. To help the community benefit from our pretrained models, we release our fine-tuning code Zoobot. Zoobot is accessible to researchers with no prior experience in deep learning.

We review recent findings from a detailed simulation study of the merging cluster El Gordo and present new results inferred from weak lensing data. We found that the observed spatial offsets between the different mass components are well reproduced in merging simulations that include self-interacting dark matter (DM), with an elastic cross-section per unit mass of approximately \sigma_DM/m_X ~ 4 -5 cm^2/gr. Moreover, a relative line-of-sight peculiar velocity on the order of several hundred km/s is found between the two stellar components of the colliding subclusters. These findings strongly suggest the possibility that, in a very energetic cluster collision, DM could possess collisional properties. However, the self-interacting DM merger model presented here is not without difficulties. The values found for \sigma_DM/m_X being in conflict with the current upper bounds on cluster scales. As a solution to this tension we argue that in major cluster mergers the physical modeling of DM interactions, based on the scattering of DM particles, should be considered too simplistic. Additionally, the DM halos of the post-collision clusters have cored density profiles with core radii r_c ~ 300 kpc. Consequently, the associated reduced tangential shear lensing profiles consistently tend to zero at angles \theta <~ 40^{''}. This result is inconsistent with what is deduced from the measured profiles. These profiles exhibit a diverging behavior when \theta --> 0, as predicted by an NFW mass model. We argue that such contradictions cannot be easily reconciled within the DM models presented so far as an alternative to the collisionless paradigm. However, we suggest that this tension can be used as a unique test bed to probe new DM physics.

In this study, we utilize the minimal geometric deformation technique of gravitational decoupling to extend the regular Bardeen black hole, leading to the derivation of new black hole solutions within the framework of Rastall theory. By decoupling the field equations associated with an extended matter source into two subsystems, we address the first subsystem using the metric components of the regular Bardeen black hole. The second subsystem, incorporating the effects of the additional source, is solved through a constraint imposed by a linear equation of state. By linearly combining the solutions of these subsystems, we obtain two extended models. We then explore the distinct physical properties of these models for specific values of the Rastall and decoupling parameters. Our investigations encompass effective thermodynamic variables such as density and anisotropic pressure, asymptotic flatness, energy conditions, and thermodynamic properties including Hawking temperature, entropy, and specific heat. The results reveal that both models violate asymptotic flatness of the resulting spacetimes. The violation of energy conditions indicate the presence of exotic matter, for both models. Nonetheless, the energy density, radial pressure, as well as the Hawking temperature exhibit acceptable behavior, while the specific heat and Hessian matrix suggest thermodynamic stability.

A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs

Surrogate models are necessary to optimize meaningful quantities in physical dynamics as their recursive numerical resolutions are often prohibitively expensive. It is mainly the case for fluid dynamics and the resolution of Navier-Stokes equations. However, despite the fast-growing field of data-driven models for physical systems, reference datasets representing real-world phenomena are lacking. In this work, we develop AirfRANS, a dataset for studying the two-dimensional incompressible steady-state Reynolds-Averaged Navier-Stokes equations over airfoils at a subsonic regime and for different angles of attacks. We also introduce metrics on the stress forces at the surface of geometries and visualization of boundary layers to assess the capabilities of models to accurately predict the meaningful information of the problem. Finally, we propose deep learning baselines on four machine learning tasks to study AirfRANS under different constraints for generalization considerations: big and scarce data regime, Reynolds number, and angle of attack extrapolation.

While machine-learned models are now routinely employed to facilitate astronomical inquiry, model inputs tend to be limited to a primary data source (namely images or time series) and, in the more advanced approaches, some metadata. Yet with the growing use of wide-field, multiplexed observational resources, individual sources of interest often have a broad range of observational modes available. Here we construct an astronomical multimodal dataset and propose AstroM^3, a self-supervised pre-training approach that enables a model to learn from multiple modalities simultaneously. Specifically, we extend the CLIP (Contrastive Language-Image Pretraining) model to a trimodal setting, allowing the integration of time-series photometry data, spectra, and astrophysical metadata. In a fine-tuning supervised setting, our results demonstrate that CLIP pre-training improves classification performance for time-series photometry, where accuracy increases from 84.6% to 91.5%. Furthermore, CLIP boosts classification accuracy by up to 12.6% when the availability of labeled data is limited, showing the effectiveness of leveraging larger corpora of unlabeled data. In addition to fine-tuned classification, we can use the trained model in other downstream tasks that are not explicitly contemplated during the construction of the self-supervised model. In particular we show the efficacy of using the learned embeddings for misclassifications identification, similarity search, and anomaly detection. One surprising highlight is the "rediscovery" of Mira subtypes and two Rotational variable subclasses using manifold learning and dimension reduction algorithm. To our knowledge this is the first construction of an n>2 mode model in astronomy. Extensions to n>3 modes is naturally anticipated with this approach.

We propose that the grokking phenomenon, where the train loss of a neural network decreases much earlier than its test loss, can arise due to a neural network transitioning from lazy training dynamics to a rich, feature learning regime. To illustrate this mechanism, we study the simple setting of vanilla gradient descent on a polynomial regression problem with a two layer neural network which exhibits grokking without regularization in a way that cannot be explained by existing theories. We identify sufficient statistics for the test loss of such a network, and tracking these over training reveals that grokking arises in this setting when the network first attempts to fit a kernel regression solution with its initial features, followed by late-time feature learning where a generalizing solution is identified after train loss is already low. We provide an asymptotic theoretical description of the grokking dynamics in this model using dynamical mean field theory (DMFT) for high dimensional data. We find that the key determinants of grokking are the rate of feature learning -- which can be controlled precisely by parameters that scale the network output -- and the alignment of the initial features with the target function y(x). We argue this delayed generalization arises when (1) the top eigenvectors of the initial neural tangent kernel and the task labels y(x) are misaligned, but (2) the dataset size is large enough so that it is possible for the network to generalize eventually, but not so large that train loss perfectly tracks test loss at all epochs, and (3) the network begins training in the lazy regime so does not learn features immediately. We conclude with evidence that this transition from lazy (linear model) to rich training (feature learning) can control grokking in more general settings, like on MNIST, one-layer Transformers, and student-teacher networks.

This paper provides theoretical insights into why and how deep learning can generalize well, despite its large capacity, complexity, possible algorithmic instability, nonrobustness, and sharp minima, responding to an open question in the literature. We also discuss approaches to provide non-vacuous generalization guarantees for deep learning. Based on theoretical observations, we propose new open problems and discuss the limitations of our results.