Daily Papers

We present the design of a new large scale orchestration layer for accelerators. Our system, Pathways, is explicitly designed to enable exploration of new systems and ML research ideas, while retaining state of the art performance for current models. Pathways uses a sharded dataflow graph of asynchronous operators that consume and produce futures, and efficiently gang-schedules heterogeneous parallel computations on thousands of accelerators while coordinating data transfers over their dedicated interconnects. Pathways makes use of a novel asynchronous distributed dataflow design that lets the control plane execute in parallel despite dependencies in the data plane. This design, with careful engineering, allows Pathways to adopt a single-controller model that makes it easier to express complex new parallelism patterns. We demonstrate that Pathways can achieve performance parity (~100% accelerator utilization) with state-of-the-art systems when running SPMD computations over 2048 TPUs, while also delivering throughput comparable to the SPMD case for Transformer models that are pipelined across 16 stages, or sharded across two islands of accelerators connected over a data center network.

TensorFlow is a machine learning system that operates at large scale and in heterogeneous environments. TensorFlow uses dataflow graphs to represent computation, shared state, and the operations that mutate that state. It maps the nodes of a dataflow graph across many machines in a cluster, and within a machine across multiple computational devices, including multicore CPUs, general-purpose GPUs, and custom designed ASICs known as Tensor Processing Units (TPUs). This architecture gives flexibility to the application developer: whereas in previous "parameter server" designs the management of shared state is built into the system, TensorFlow enables developers to experiment with novel optimizations and training algorithms. TensorFlow supports a variety of applications, with particularly strong support for training and inference on deep neural networks. Several Google services use TensorFlow in production, we have released it as an open-source project, and it has become widely used for machine learning research. In this paper, we describe the TensorFlow dataflow model in contrast to existing systems, and demonstrate the compelling performance that TensorFlow achieves for several real-world applications.

Data sharding, a technique for partitioning and distributing data among multiple servers or nodes, offers enhancements in the scalability, performance, and fault tolerance of extensive distributed systems. Nonetheless, this strategy introduces novel challenges, including load balancing among shards, management of node failures and data loss, and adaptation to evolving data and workload patterns. This paper proposes an innovative approach to tackle these challenges by empowering self-healing nodes with adaptive data sharding. Leveraging concepts such as self-replication, fractal regeneration, sentient data sharding, and symbiotic node clusters, our approach establishes a dynamic and resilient data sharding scheme capable of addressing diverse scenarios and meeting varied requirements. Implementation and evaluation of our approach involve a prototype system simulating a large-scale distributed database across various data sharding scenarios. Comparative analyses against existing data sharding techniques highlight the superior scalability, performance, fault tolerance, and adaptability of our approach. Additionally, the paper delves into potential applications and limitations, providing insights into the future research directions that can further advance this innovative approach.

Distributed training of large models consumes enormous computation resources and requires substantial engineering efforts to compose various training techniques. This paper presents SimpleFSDP, a PyTorch-native compiler-based Fully Sharded Data Parallel (FSDP) framework, which has a simple implementation for maintenance and composability, allows full computation-communication graph tracing, and brings performance enhancement via compiler backend optimizations. SimpleFSDP's novelty lies in its unique torch.compile-friendly implementation of collective communications using existing PyTorch primitives, namely parametrizations, selective activation checkpointing, and DTensor. It also features the first-of-its-kind intermediate representation (IR) nodes bucketing and reordering in the TorchInductor backend for effective computation-communication overlapping. As a result, users can employ the aforementioned optimizations to automatically or manually wrap model components for minimal communication exposure. Extensive evaluations of SimpleFSDP on Llama 3 models (including the ultra-large 405B) using TorchTitan demonstrate up to 28.54% memory reduction and 68.67% throughput improvement compared to the most widely adopted FSDP2 eager framework, when composed with other distributed training techniques.

Enterprise data lakes often suffer from substantial amounts of duplicate and redundant data, with data volumes ranging from terabytes to petabytes. This leads to both increased storage costs and unnecessarily high maintenance costs for these datasets. In this work, we focus on identifying and reducing redundancy in enterprise data lakes by addressing the problem of 'dataset containment'. To the best of our knowledge, this is one of the first works that addresses table-level containment at a large scale. We propose R2D2: a three-step hierarchical pipeline that efficiently identifies almost all instances of containment by progressively reducing the search space in the data lake. It first builds (i) a schema containment graph, followed by (ii) statistical min-max pruning, and finally, (iii) content level pruning. We further propose minimizing the total storage and access costs by optimally identifying redundant datasets that can be deleted (and reconstructed on demand) while respecting latency constraints. We implement our system on Azure Databricks clusters using Apache Spark for enterprise data stored in ADLS Gen2, and on AWS clusters for open-source data. In contrast to existing modified baselines that are inaccurate or take several days to run, our pipeline can process an enterprise customer data lake at the TB scale in approximately 5 hours with high accuracy. We present theoretical results as well as extensive empirical validation on both enterprise (scale of TBs) and open-source datasets (scale of MBs - GBs), which showcase the effectiveness of our pipeline.

It is widely acknowledged that large models have the potential to deliver superior performance across a broad range of domains. Despite the remarkable progress made in the field of machine learning systems research, which has enabled the development and exploration of large models, such abilities remain confined to a small group of advanced users and industry leaders, resulting in an implicit technical barrier for the wider community to access and leverage these technologies. In this paper, we introduce PyTorch Fully Sharded Data Parallel (FSDP) as an industry-grade solution for large model training. FSDP has been closely co-designed with several key PyTorch core components including Tensor implementation, dispatcher system, and CUDA memory caching allocator, to provide non-intrusive user experiences and high training efficiency. Additionally, FSDP natively incorporates a range of techniques and settings to optimize resource utilization across a variety of hardware configurations. The experimental results demonstrate that FSDP is capable of achieving comparable performance to Distributed Data Parallel while providing support for significantly larger models with near-linear scalability in terms of TFLOPS.

Network embedding has been widely used in social recommendation and network analysis, such as recommendation systems and anomaly detection with graphs. However, most of previous approaches cannot handle large graphs efficiently, due to that (i) computation on graphs is often costly and (ii) the size of graph or the intermediate results of vectors could be prohibitively large, rendering it difficult to be processed on a single machine. In this paper, we propose an efficient and effective distributed algorithm for network embedding on large graphs using Apache Spark, which recursively partitions a graph into several small-sized subgraphs to capture the internal and external structural information of nodes, and then computes the network embedding for each subgraph in parallel. Finally, by aggregating the outputs on all subgraphs, we obtain the embeddings of nodes in a linear cost. After that, we demonstrate in various experiments that our proposed approach is able to handle graphs with billions of edges within a few hours and is at least 4 times faster than the state-of-the-art approaches. Besides, it achieves up to 4.25% and 4.27% improvements on link prediction and node classification tasks respectively. In the end, we deploy the proposed algorithms in two online games of Tencent with the applications of friend recommendation and item recommendation, which improve the competitors by up to 91.11% in running time and up to 12.80% in the corresponding evaluation metrics.

For a broad range of research, governmental and commercial applications it is important to understand the allegiances, communities and structure of key players in society. One promising direction towards extracting this information is to exploit the rich relational data in digital social networks (the social graph). As social media data sets are very large, most approaches make use of distributed computing systems for this purpose. Distributing graph processing requires solving many difficult engineering problems, which has lead some researchers to look at single-machine solutions that are faster and easier to maintain. In this article, we present a single-machine real-time system for large-scale graph processing that allows analysts to interactively explore graph structures. The key idea is that the aggregate actions of large numbers of users can be compressed into a data structure that encapsulates user similarities while being robust to noise and queryable in real-time. We achieve single machine real-time performance by compressing the neighbourhood of each vertex using minhash signatures and facilitate rapid queries through Locality Sensitive Hashing. These techniques reduce query times from hours using industrial desktop machines operating on the full graph to milliseconds on standard laptops. Our method allows exploration of strongly associated regions (i.e. communities) of large graphs in real-time on a laptop. It has been deployed in software that is actively used by social network analysts and offers another channel for media owners to monetise their data, helping them to continue to provide free services that are valued by billions of people globally.

Constructing real-world data-to-insight pipelines often involves data extraction from data lakes, data integration across heterogeneous data sources, and diverse operations from data cleaning to analysis. The design and implementation of data science pipelines require domain knowledge, technical expertise, and even project-specific insights. AI systems have shown remarkable reasoning, coding, and understanding capabilities. However, it remains unclear to what extent these capabilities translate into successful design and execution of such complex pipelines. We introduce KRAMABENCH: a benchmark composed of 104 manually-curated real-world data science pipelines spanning 1700 data files from 24 data sources in 6 different domains. We show that these pipelines test the end-to-end capabilities of AI systems on data processing, requiring data discovery, wrangling and cleaning, efficient processing, statistical reasoning, and orchestrating data processing steps given a high-level task. Our evaluation tests 5 general models and 3 code generation models using our reference framework, DS-GURU, which instructs the AI model to decompose a question into a sequence of subtasks, reason through each step, and synthesize Python code that implements the proposed design. Our results on KRAMABENCH show that, although the models are sufficiently capable of solving well-specified data science code generation tasks, when extensive data processing and domain knowledge are required to construct real-world data science pipelines, existing out-of-box models fall short. Progress on KramaBench represents crucial steps towards developing autonomous data science agents for real-world applications. Our code, reference framework, and data are available at https://github.com/mitdbg/KramaBench.

This tutorial serves as a comprehensive guide for understanding graph databases, focusing on the fundamentals of graph theory while showcasing practical applications across various fields. It starts by introducing foundational concepts and delves into the structure of graphs through nodes and edges, covering different types such as undirected, directed, weighted, and unweighted graphs. Key graph properties, terminologies, and essential algorithms for network analysis are outlined, including Dijkstras shortest path algorithm and methods for calculating node centrality and graph connectivity. The tutorial highlights the advantages of graph databases over traditional relational databases, particularly in efficiently managing complex, interconnected data. It examines leading graph database systems such as Neo4j, Amazon Neptune, and ArangoDB, emphasizing their unique features for handling large datasets. Practical instructions on graph operations using NetworkX and Neo4j are provided, covering node and edge creation, attribute assignment, and advanced queries with Cypher. Additionally, the tutorial explores common graph visualization techniques using tools like Plotly and Neo4j Bloom, which enhance the interpretation and usability of graph data. It also delves into community detection algorithms, including the Louvain method, which facilitates clustering in large networks. Finally, the paper concludes with recommendations for researchers interested in exploring the vast potential of graph technologies.

The rapid progress in Deep Learning (DL) and Large Language Models (LLMs) has exponentially increased demands of computational power and bandwidth. This, combined with the high costs of faster computing chips and interconnects, has significantly inflated High Performance Computing (HPC) construction costs. To address these challenges, we introduce the Fire-Flyer AI-HPC architecture, a synergistic hardware-software co-design framework and its best practices. For DL training, we deployed the Fire-Flyer 2 with 10,000 PCIe A100 GPUs, achieved performance approximating the DGX-A100 while reducing costs by half and energy consumption by 40%. We specifically engineered HFReduce to accelerate allreduce communication and implemented numerous measures to keep our Computation-Storage Integrated Network congestion-free. Through our software stack, including HaiScale, 3FS, and HAI-Platform, we achieved substantial scalability by overlapping computation and communication. Our system-oriented experience from DL training provides valuable insights to drive future advancements in AI-HPC.

Graph representations of programs are commonly a central element of machine learning for code research. We introduce an open source Python library python_graphs that applies static analysis to construct graph representations of Python programs suitable for training machine learning models. Our library admits the construction of control-flow graphs, data-flow graphs, and composite ``program graphs'' that combine control-flow, data-flow, syntactic, and lexical information about a program. We present the capabilities and limitations of the library, perform a case study applying the library to millions of competitive programming submissions, and showcase the library's utility for machine learning research.

Large Language Models (LLMs) have demonstrated their potential in hardware design tasks, such as Hardware Description Language (HDL) generation and debugging. Yet, their performance in real-world, repository-level HDL projects with thousands or even tens of thousands of code lines is hindered. To this end, we propose HDLxGraph, a novel framework that integrates Graph Retrieval Augmented Generation (Graph RAG) with LLMs, introducing HDL-specific graph representations by incorporating Abstract Syntax Trees (ASTs) and Data Flow Graphs (DFGs) to capture both code graph view and hardware graph view. HDLxGraph utilizes a dual-retrieval mechanism that not only mitigates the limited recall issues inherent in similarity-based semantic retrieval by incorporating structural information, but also enhances its extensibility to various real-world tasks by a task-specific retrieval finetuning. Additionally, to address the lack of comprehensive HDL search benchmarks, we introduce HDLSearch, a multi-granularity evaluation dataset derived from real-world repository-level projects. Experimental results demonstrate that HDLxGraph significantly improves average search accuracy, debugging efficiency and completion quality by 12.04%, 12.22% and 5.04% compared to similarity-based RAG, respectively. The code of HDLxGraph and collected HDLSearch benchmark are available at https://github.com/Nick-Zheng-Q/HDLxGraph.

In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats and emphasizes model designs. This approach is inherently limited in real-world applications due to the unavoidable information loss in simple undirected graphs and the model optimization challenges that arise when exceeding the upper bounds of this sub-optimal data representational capacity. As a result, there has been a shift toward data-centric methods that prioritize improving graph quality and representation. Specifically, various types of graphs can be derived from naturally structured data, including heterogeneous graphs, hypergraphs, and directed graphs. Among these, directed graphs offer distinct advantages in topological systems by modeling causal relationships, and directed GNNs have been extensively studied in recent years. However, a comprehensive survey of this emerging topic is still lacking. Therefore, we aim to provide a comprehensive review of directed graph learning, with a particular focus on a data-centric perspective. Specifically, we first introduce a novel taxonomy for existing studies. Subsequently, we re-examine these methods from the data-centric perspective, with an emphasis on understanding and improving data representation. It demonstrates that a deep understanding of directed graphs and their quality plays a crucial role in model performance. Additionally, we explore the diverse applications of directed GNNs across 10+ domains, highlighting their broad applicability. Finally, we identify key opportunities and challenges within the field, offering insights that can guide future research and development in directed graph learning.

Recently, there has been an increasing interest in (supervised) learning with graph data, especially using graph neural networks. However, the development of meaningful benchmark datasets and standardized evaluation procedures is lagging, consequently hindering advancements in this area. To address this, we introduce the TUDataset for graph classification and regression. The collection consists of over 120 datasets of varying sizes from a wide range of applications. We provide Python-based data loaders, kernel and graph neural network baseline implementations, and evaluation tools. Here, we give an overview of the datasets, standardized evaluation procedures, and provide baseline experiments. All datasets are available at www.graphlearning.io. The experiments are fully reproducible from the code available at www.github.com/chrsmrrs/tudataset.

Since its 2009 genesis block, the Bitcoin network has processed >1.08 billion (B) transactions representing >8.72B BTC, offering rich potential for machine learning (ML); yet, its pseudonymity and obscured flow of funds inherent in its \utxo-based design, have rendered this data largely inaccessible for ML research. Addressing this gap, we present an ML-compatible graph modeling the Bitcoin's economic topology by reconstructing the flow of funds. This temporal, heterogeneous graph encompasses complete transaction history up to block \cutoffHeight, consisting of >2.4B nodes and >39.72B edges. Additionally, we provide custom sampling methods yielding node and edge feature vectors of sampled communities, tools to load and analyze the Bitcoin graph data within specialized graph databases, and ready-to-use database snapshots. This comprehensive dataset and toolkit empower the ML community to tackle Bitcoin's intricate ecosystem at scale, driving progress in applications such as anomaly detection, address classification, market analysis, and large-scale graph ML benchmarking. Dataset and code available at https://github.com/B1AAB/EBA{github.com/b1aab/eba}

We introduce Breadth-First Pipeline Parallelism, a novel training schedule which optimizes the combination of pipeline and data parallelism. Breadth-First Pipeline Parallelism lowers training time, cost and memory usage by combining a high GPU utilization with a small batch size per GPU, and by making use of fully sharded data parallelism. Experimentally, we observed an increase of up to 43% in training throughput for a 52 billion-parameter model using a small batch size per GPU compared to Megatron-LM, which would reduce the training time and cost by the same amount on a large GPU cluster.

As Deep Neural Networks (DNNs) grow in size and complexity, they often exceed the memory capacity of a single accelerator, necessitating the sharding of model parameters across multiple accelerators. Pipeline parallelism is a commonly used sharding strategy for training large DNNs. However, current implementations of pipeline parallelism are being unintentionally bottlenecked by the automatic differentiation tools provided by ML frameworks. This paper introduces 2-stage backpropagation (2BP). By splitting the backward propagation step into two separate stages, we can reduce idle compute time. We tested 2BP on various model architectures and pipelining schedules, achieving increases in throughput in all cases. Using 2BP, we were able to achieve a 1.70x increase in throughput compared to traditional methods when training a LLaMa-like transformer with 7 billion parameters across 4 GPUs.

Graph mining workloads aim to extract structural properties of a graph by exploring its subgraph structures. General purpose graph mining systems provide a generic runtime to explore subgraph structures of interest with the help of user-defined functions that guide the overall exploration process. However, the state-of-the-art graph mining systems remain largely oblivious to the shape (or pattern) of the subgraphs that they mine. This causes them to: (a) explore unnecessary subgraphs; (b) perform expensive computations on the explored subgraphs; and, (c) hold intermediate partial subgraphs in memory; all of which affect their overall performance. Furthermore, their programming models are often tied to their underlying exploration strategies, which makes it difficult for domain users to express complex mining tasks. In this paper, we develop Peregrine, a pattern-aware graph mining system that directly explores the subgraphs of interest while avoiding exploration of unnecessary subgraphs, and simultaneously bypassing expensive computations throughout the mining process. We design a pattern-based programming model that treats "graph patterns" as first class constructs and enables Peregrine to extract the semantics of patterns, which it uses to guide its exploration. Our evaluation shows that Peregrine outperforms state-of-the-art distributed and single machine graph mining systems, and scales to complex mining tasks on larger graphs, while retaining simplicity and expressivity with its "pattern-first" programming approach.

We present Piecewise Rectified Flow (PeRFlow), a flow-based method for accelerating diffusion models. PeRFlow divides the sampling process of generative flows into several time windows and straightens the trajectories in each interval via the reflow operation, thereby approaching piecewise linear flows. PeRFlow achieves superior performance in a few-step generation. Moreover, through dedicated parameterizations, the obtained PeRFlow models show advantageous transfer ability, serving as universal plug-and-play accelerators that are compatible with various workflows based on the pre-trained diffusion models. The implementations of training and inference are fully open-sourced. https://github.com/magic-research/piecewise-rectified-flow

While many EDA tasks already involve graph-based data, existing LLMs in EDA primarily either represent graphs as sequential text, or simply ignore graph-structured data that might be beneficial like dataflow graphs of RTL code. Recent studies have found that LLM performance suffers when graphs are represented as sequential text, and using additional graph information significantly boosts performance. To address these challenges, we introduce BRIDGES, a framework designed to incorporate graph modality into LLMs for EDA tasks. BRIDGES integrates an automated data generation workflow, a solution that combines graph modality with LLM, and a comprehensive evaluation suite. First, we establish an LLM-driven workflow to generate RTL and netlist-level data, converting them into dataflow and netlist graphs with function descriptions. This workflow yields a large-scale dataset comprising over 500,000 graph instances and more than 1.5 billion tokens. Second, we propose a lightweight cross-modal projector that encodes graph representations into text-compatible prompts, enabling LLMs to effectively utilize graph data without architectural modifications. Experimental results demonstrate 2x to 10x improvements across multiple tasks compared to text-only baselines, including accuracy in design retrieval, type prediction and perplexity in function description, with negligible computational overhead (<1% model weights increase and <30% additional runtime overhead). Even without additional LLM finetuning, our results outperform text-only by a large margin. We plan to release BRIDGES, including the dataset, models, and training flow.

Hyperdimensional computing (HD), also known as vector symbolic architectures (VSA), is a framework for computing with distributed representations by exploiting properties of random high-dimensional vector spaces. The commitment of the scientific community to aggregate and disseminate research in this particularly multidisciplinary area has been fundamental for its advancement. Joining these efforts, we present Torchhd, a high-performance open source Python library for HD/VSA. Torchhd seeks to make HD/VSA more accessible and serves as an efficient foundation for further research and application development. The easy-to-use library builds on top of PyTorch and features state-of-the-art HD/VSA functionality, clear documentation, and implementation examples from well-known publications. Comparing publicly available code with their corresponding Torchhd implementation shows that experiments can run up to 100x faster. Torchhd is available at: https://github.com/hyperdimensional-computing/torchhd.

Large-scale LLM pretraining now runs across 10^5--10^6 accelerators, making failures routine and elasticity mandatory. We posit that an elastic-native training system must jointly deliver (i) parameter consistency, (ii) low mean time to recovery (MTTR), (iii) high post-change throughput, and (iv) computation consistency. No prior system achieves all four simultaneously. To achieve these goals, we present ElasWave, which delivers per-step fault tolerance via multi-dimensional scheduling across graph, dataflow, DVFS, and RNG. ElasWave reshapes and reshards micro-batches while preserving the global batch size and gradient scale. It performs online pipeline resharding with asynchronous parameter migration and interleaves ZeRO partitions, reducing parameter recovery processes to disjoint rank-to-rank transfers. It further leverages DVFS to absorb pipeline bubbles and reshards RNG to keep computation consistency. Together, a dynamic communicator enables in-place communication group edits, while per-step in-memory snapshots support online verification and redistribution. We evaluate ElasWave on 96 NPUs and benchmark it against state-of-the-art baselines: throughput improves by 1.35times over ReCycle and 1.60times over TorchFT; communicator recovery completes within one second (up to 82times/3.6times faster than full/partial rebuilds); migration MTTR drops by as much as 51%; and convergence deviation is reduced by approximately 78%.

Recent advancements in deep neural networks for graph-structured data have led to state-of-the-art performance on recommender system benchmarks. However, making these methods practical and scalable to web-scale recommendation tasks with billions of items and hundreds of millions of users remains a challenge. Here we describe a large-scale deep recommendation engine that we developed and deployed at Pinterest. We develop a data-efficient Graph Convolutional Network (GCN) algorithm PinSage, which combines efficient random walks and graph convolutions to generate embeddings of nodes (i.e., items) that incorporate both graph structure as well as node feature information. Compared to prior GCN approaches, we develop a novel method based on highly efficient random walks to structure the convolutions and design a novel training strategy that relies on harder-and-harder training examples to improve robustness and convergence of the model. We also develop an efficient MapReduce model inference algorithm to generate embeddings using a trained model. We deploy PinSage at Pinterest and train it on 7.5 billion examples on a graph with 3 billion nodes representing pins and boards, and 18 billion edges. According to offline metrics, user studies and A/B tests, PinSage generates higher-quality recommendations than comparable deep learning and graph-based alternatives. To our knowledge, this is the largest application of deep graph embeddings to date and paves the way for a new generation of web-scale recommender systems based on graph convolutional architectures.

We present the Temporal Graph Benchmark (TGB), a collection of challenging and diverse benchmark datasets for realistic, reproducible, and robust evaluation of machine learning models on temporal graphs. TGB datasets are of large scale, spanning years in duration, incorporate both node and edge-level prediction tasks and cover a diverse set of domains including social, trade, transaction, and transportation networks. For both tasks, we design evaluation protocols based on realistic use-cases. We extensively benchmark each dataset and find that the performance of common models can vary drastically across datasets. In addition, on dynamic node property prediction tasks, we show that simple methods often achieve superior performance compared to existing temporal graph models. We believe that these findings open up opportunities for future research on temporal graphs. Finally, TGB provides an automated machine learning pipeline for reproducible and accessible temporal graph research, including data loading, experiment setup and performance evaluation. TGB will be maintained and updated on a regular basis and welcomes community feedback. TGB datasets, data loaders, example codes, evaluation setup, and leaderboards are publicly available at https://tgb.complexdatalab.com/.

The automated extraction of complete and precise road network graphs from remote sensing imagery remains a critical challenge in geospatial computer vision. Segmentation-based approaches, while effective in pixel-level recognition, struggle to maintain topology fidelity after vectorization postprocessing. Graph-growing methods build more topologically faithful graphs but suffer from computationally prohibitive iterative ROI cropping. Graph-generating methods first predict global static candidate road network vertices, and then infer possible edges between vertices. They achieve fast topology-aware inference, but limits the dynamic insertion of vertices. To address these challenges, we propose DeH4R, a novel hybrid model that combines graph-generating efficiency and graph-growing dynamics. This is achieved by decoupling the task into candidate vertex detection, adjacent vertex prediction, initial graph contruction, and graph expansion. This architectural innovation enables dynamic vertex (edge) insertions while retaining fast inference speed and enhancing both topology fidelity and spatial consistency. Comprehensive evaluations on CityScale and SpaceNet benchmarks demonstrate state-of-the-art (SOTA) performance. DeH4R outperforms the prior SOTA graph-growing method RNGDet++ by 4.62 APLS and 10.18 IoU on CityScale, while being approximately 10 times faster. The code will be made publicly available at https://github.com/7777777FAN/DeH4R.

Integrating heterogeneous biomedical data including imaging, omics, and clinical records supports accurate diagnosis and personalised care. Graph-based models fuse such non-Euclidean data by capturing spatial and relational structure, yet clinical uptake requires regulator-ready interpretability. We present the first technical survey of interpretable graph based models for multimodal biomedical data, covering 26 studies published between Jan 2019 and Sep 2024. Most target disease classification, notably cancer and rely on static graphs from simple similarity measures, while graph-native explainers are rare; post-hoc methods adapted from non-graph domains such as gradient saliency, and SHAP predominate. We group existing approaches into four interpretability families, outline trends such as graph-in-graph hierarchies, knowledge-graph edges, and dynamic topology learning, and perform a practical benchmark. Using an Alzheimer disease cohort, we compare Sensitivity Analysis, Gradient Saliency, SHAP and Graph Masking. SHAP and Sensitivity Analysis recover the broadest set of known AD pathways and Gene-Ontology terms, whereas Gradient Saliency and Graph Masking surface complementary metabolic and transport signatures. Permutation tests show all four beat random gene sets, but with distinct trade-offs: SHAP and Graph Masking offer deeper biology at higher compute cost, while Gradient Saliency and Sensitivity Analysis are quicker though coarser. We also provide a step-by-step flowchart covering graph construction, explainer choice and resource budgeting to help researchers balance transparency and performance. This review synthesises the state of interpretable graph learning for multimodal medicine, benchmarks leading techniques, and charts future directions, from advanced XAI tools to under-studied diseases, serving as a concise reference for method developers and translational scientists.

Acceleration of graph applications on GPUs has found large interest due to the ubiquitous use of graph processing in various domains. The inherent irregularity in graph applications leads to several challenges for parallelization. A key challenge, which we address in this paper, is that of load-imbalance. If the work-assignment to threads uses node-based graph partitioning, it can result in skewed task-distribution, leading to poor load-balance. In contrast, if the work-assignment uses edge-based graph partitioning, the load-balancing is better, but the memory requirement is relatively higher. This makes it unsuitable for large graphs. In this work, we propose three techniques for improved load-balancing of graph applications on GPUs. Each technique brings in unique advantages, and a user may have to employ a specific technique based on the requirement. Using Breadth First Search and Single Source Shortest Paths as our processing kernels, we illustrate the effectiveness of each of the proposed techniques in comparison to the existing node-based and edge-based mechanisms.

The rapid growth of large-scale AI models, particularly large language models has brought significant challenges in data privacy, computational resources, and accessibility. Traditional centralized architectures often struggle to meet required data security and scalability needs which hinders the democratization of AI systems. Nesa introduces a model-agnostic sharding framework designed for decentralized AI inference. Our framework uses blockchain-based sequential deep neural network sharding to distribute computational tasks across a diverse network of nodes based on a personalised heuristic and routing mechanism. This enables efficient distributed training and inference for recent large-scale models even on consumer-grade hardware. We use compression techniques like dynamic blockwise quantization and mixed matrix decomposition to reduce data transfer and memory needs. We also integrate robust security measures, including hardware-based trusted execution environments to ensure data integrity and confidentiality. Evaluating our system across various natural language processing and vision tasks shows that these compression strategies do not compromise model accuracy. Our results highlight the potential to democratize access to cutting-edge AI technologies by enabling secure and efficient inference on a decentralized network.

The way in which data are shared can affect their utility and reusability. Here, we demonstrate how data that we had previously shared in bulk can be mobilized further through a knowledge graph that allows for much more granular exploration and interrogation. The original dataset is about the computational reproducibility of GitHub-hosted Jupyter notebooks associated with biomedical publications. It contains rich metadata about the publications, associated GitHub repositories and Jupyter notebooks, and the notebooks' reproducibility. We took this dataset, converted it into semantic triples and loaded these into a triple store to create a knowledge graph, FAIR Jupyter, that we made accessible via a web service. This enables granular data exploration and analysis through queries that can be tailored to specific use cases. Such queries may provide details about any of the variables from the original dataset, highlight relationships between them or combine some of the graph's content with materials from corresponding external resources. We provide a collection of example queries addressing a range of use cases in research and education. We also outline how sets of such queries can be used to profile specific content types, either individually or by class. We conclude by discussing how such a semantically enhanced sharing of complex datasets can both enhance their FAIRness, i.e., their findability, accessibility, interoperability, and reusability, and help identify and communicate best practices, particularly with regards to data quality, standardization, automation and reproducibility.

We present PixelFlow, a family of image generation models that operate directly in the raw pixel space, in contrast to the predominant latent-space models. This approach simplifies the image generation process by eliminating the need for a pre-trained Variational Autoencoder (VAE) and enabling the whole model end-to-end trainable. Through efficient cascade flow modeling, PixelFlow achieves affordable computation cost in pixel space. It achieves an FID of 1.98 on 256times256 ImageNet class-conditional image generation benchmark. The qualitative text-to-image results demonstrate that PixelFlow excels in image quality, artistry, and semantic control. We hope this new paradigm will inspire and open up new opportunities for next-generation visual generation models. Code and models are available at https://github.com/ShoufaChen/PixelFlow.

We propose DyGFormer, a new Transformer-based architecture for dynamic graph learning. DyGFormer is conceptually simple and only needs to learn from nodes' historical first-hop interactions by: (1) a neighbor co-occurrence encoding scheme that explores the correlations of the source node and destination node based on their historical sequences; (2) a patching technique that divides each sequence into multiple patches and feeds them to Transformer, allowing the model to effectively and efficiently benefit from longer histories. We also introduce DyGLib, a unified library with standard training pipelines, extensible coding interfaces, and comprehensive evaluating protocols to promote reproducible, scalable, and credible dynamic graph learning research. By performing exhaustive experiments on thirteen datasets for dynamic link prediction and dynamic node classification tasks, we find that DyGFormer achieves state-of-the-art performance on most of the datasets, demonstrating its effectiveness in capturing nodes' correlations and long-term temporal dependencies. Moreover, some results of baselines are inconsistent with previous reports, which may be caused by their diverse but less rigorous implementations, showing the importance of DyGLib. All the used resources are publicly available at https://github.com/yule-BUAA/DyGLib.

We present FastRP, a scalable and performant algorithm for learning distributed node representations in a graph. FastRP is over 4,000 times faster than state-of-the-art methods such as DeepWalk and node2vec, while achieving comparable or even better performance as evaluated on several real-world networks on various downstream tasks. We observe that most network embedding methods consist of two components: construct a node similarity matrix and then apply dimension reduction techniques to this matrix. We show that the success of these methods should be attributed to the proper construction of this similarity matrix, rather than the dimension reduction method employed. FastRP is proposed as a scalable algorithm for network embeddings. Two key features of FastRP are: 1) it explicitly constructs a node similarity matrix that captures transitive relationships in a graph and normalizes matrix entries based on node degrees; 2) it utilizes very sparse random projection, which is a scalable optimization-free method for dimension reduction. An extra benefit from combining these two design choices is that it allows the iterative computation of node embeddings so that the similarity matrix need not be explicitly constructed, which further speeds up FastRP. FastRP is also advantageous for its ease of implementation, parallelization and hyperparameter tuning. The source code is available at https://github.com/GTmac/FastRP.

Learning continuous representations of nodes is attracting growing interest in both academia and industry recently, due to their simplicity and effectiveness in a variety of applications. Most of existing node embedding algorithms and systems are capable of processing networks with hundreds of thousands or a few millions of nodes. However, how to scale them to networks that have tens of millions or even hundreds of millions of nodes remains a challenging problem. In this paper, we propose GraphVite, a high-performance CPU-GPU hybrid system for training node embeddings, by co-optimizing the algorithm and the system. On the CPU end, augmented edge samples are parallelly generated by random walks in an online fashion on the network, and serve as the training data. On the GPU end, a novel parallel negative sampling is proposed to leverage multiple GPUs to train node embeddings simultaneously, without much data transfer and synchronization. Moreover, an efficient collaboration strategy is proposed to further reduce the synchronization cost between CPUs and GPUs. Experiments on multiple real-world networks show that GraphVite is super efficient. It takes only about one minute for a network with 1 million nodes and 5 million edges on a single machine with 4 GPUs, and takes around 20 hours for a network with 66 million nodes and 1.8 billion edges. Compared to the current fastest system, GraphVite is about 50 times faster without any sacrifice on performance.

Deep learning frameworks such as TensorFlow and PyTorch provide a productive interface for expressing and training a deep neural network (DNN) model on a single device or using data parallelism. Still, they may not be flexible or efficient enough in training emerging large models on distributed devices, which require more sophisticated parallelism beyond data parallelism. Plugins or wrappers have been developed to strengthen these frameworks for model or pipeline parallelism, but they complicate the usage and implementation of distributed deep learning. Aiming at a simple, neat redesign of distributed deep learning frameworks for various parallelism paradigms, we present OneFlow, a novel distributed training framework based on an SBP (split, broadcast and partial-value) abstraction and the actor model. SBP enables much easier programming of data parallelism and model parallelism than existing frameworks, and the actor model provides a succinct runtime mechanism to manage the complex dependencies imposed by resource constraints, data movement and computation in distributed deep learning. We demonstrate the general applicability and efficiency of OneFlow for training various large DNN models with case studies and extensive experiments. The results show that OneFlow outperforms many well-known customized libraries built on top of the state-of-the-art frameworks. The code of OneFlow is available at: https://github.com/Oneflow-Inc/oneflow.

Deep recommender systems rely heavily on large embedding tables to handle high-cardinality categorical features such as user/item identifiers, and face significant memory constraints at scale. To tackle this challenge, hashing techniques are often employed to map multiple entities to the same embedding and thus reduce the size of the embedding tables. Concurrently, graph-based collaborative signals have emerged as powerful tools in recommender systems, yet their potential for optimizing embedding table reduction remains unexplored. This paper introduces GraphHash, the first graph-based approach that leverages modularity-based bipartite graph clustering on user-item interaction graphs to reduce embedding table sizes. We demonstrate that the modularity objective has a theoretical connection to message-passing, which provides a foundation for our method. By employing fast clustering algorithms, GraphHash serves as a computationally efficient proxy for message-passing during preprocessing and a plug-and-play graph-based alternative to traditional ID hashing. Extensive experiments show that GraphHash substantially outperforms diverse hashing baselines on both retrieval and click-through-rate prediction tasks. In particular, GraphHash achieves on average a 101.52% improvement in recall when reducing the embedding table size by more than 75%, highlighting the value of graph-based collaborative information for model reduction. Our code is available at https://github.com/snap-research/GraphHash.

Real-world networks, with their evolving relations, are best captured as temporal graphs. However, existing software libraries are largely designed for static graphs where the dynamic nature of temporal graphs is ignored. Bridging this gap, we introduce TGX, a Python package specially designed for analysis of temporal networks that encompasses an automated pipeline for data loading, data processing, and analysis of evolving graphs. TGX provides access to eleven built-in datasets and eight external Temporal Graph Benchmark (TGB) datasets as well as any novel datasets in the .csv format. Beyond data loading, TGX facilitates data processing functionalities such as discretization of temporal graphs and node subsampling to accelerate working with larger datasets. For comprehensive investigation, TGX offers network analysis by providing a diverse set of measures, including average node degree and the evolving number of nodes and edges per timestamp. Additionally, the package consolidates meaningful visualization plots indicating the evolution of temporal patterns, such as Temporal Edge Appearance (TEA) and Temporal Edge Trafficc (TET) plots. The TGX package is a robust tool for examining the features of temporal graphs and can be used in various areas like studying social networks, citation networks, and tracking user interactions. We plan to continuously support and update TGX based on community feedback. TGX is publicly available on: https://github.com/ComplexData-MILA/TGX.

Instance selection (IS) is important in machine learning for reducing dataset size while keeping key characteristics. Current IS methods often struggle with capturing complex relationships in high-dimensional spaces and scale with large datasets. This paper introduces a graph attention-based instance selection (GAIS) method that uses attention mechanisms to identify informative instances through their structural relationships in graph representations. We present two approaches for scalable graph construction: a distance-based mini-batch sampling technique that reduces computation through strategic batch processing, and a hierarchical hashing approach that allows for efficient similarity computation through random projections. The mini-batch approach keeps class distributions through stratified sampling, while the hierarchical hashing method captures relationships at multiple granularities through single-level, multi-level, and multi-view variants. Experiments across 39 datasets show that GAIS achieves reduction rates above 96\% while maintaining or improving model performance relative to state-of-the-art IS methods. The findings shows that the distance-based mini-batch approach offers an optimal balance of efficiency and effectiveness for large-scale datasets, while multi-view variants provide superior performance for complex, high-dimensional data, demonstrating that attention-based importance scoring can effectively identify instances crucial for maintaining decision boundaries without requiring exhaustive pairwise comparisons.

This work aims to tackle the challenging heterogeneous graph encoding problem in the text-to-SQL task. Previous methods are typically node-centric and merely utilize different weight matrices to parameterize edge types, which 1) ignore the rich semantics embedded in the topological structure of edges, and 2) fail to distinguish local and non-local relations for each node. To this end, we propose a Line Graph Enhanced Text-to-SQL (LGESQL) model to mine the underlying relational features without constructing meta-paths. By virtue of the line graph, messages propagate more efficiently through not only connections between nodes, but also the topology of directed edges. Furthermore, both local and non-local relations are integrated distinctively during the graph iteration. We also design an auxiliary task called graph pruning to improve the discriminative capability of the encoder. Our framework achieves state-of-the-art results (62.8% with Glove, 72.0% with Electra) on the cross-domain text-to-SQL benchmark Spider at the time of writing.

The growing importance of understanding and addressing algorithmic bias in artificial intelligence (AI) has led to a surge in research on AI fairness, which often assumes that the underlying data is independent and identically distributed (IID). However, real-world data frequently exists in non-IID graph structures that capture connections among individual units. To effectively mitigate bias in AI systems, it is essential to bridge the gap between traditional fairness literature, designed for IID data, and the prevalence of non-IID graph data. This survey reviews recent advancements in fairness amidst non-IID graph data, including the newly introduced fair graph generation and the commonly studied fair graph classification. In addition, available datasets and evaluation metrics for future research are identified, the limitations of existing work are highlighted, and promising future directions are proposed.

Decentralised Machine Learning (DML) enables collaborative machine learning without centralised input data. Federated Learning (FL) and Edge Inference are examples of DML. While tools for DML (especially FL) are starting to flourish, many are not flexible and portable enough to experiment with novel processors (e.g., RISC-V), non-fully connected network topologies, and asynchronous collaboration schemes. We overcome these limitations via a domain-specific language allowing us to map DML schemes to an underlying middleware, i.e. the FastFlow parallel programming library. We experiment with it by generating different working DML schemes on x86-64 and ARM platforms and an emerging RISC-V one. We characterise the performance and energy efficiency of the presented schemes and systems. As a byproduct, we introduce a RISC-V porting of the PyTorch framework, the first publicly available to our knowledge.

This work presents dyGRASS, an efficient dynamic algorithm for spectral sparsification of large undirected graphs that undergo streaming edge insertions and deletions. At its core, dyGRASS employs a random-walk-based method to efficiently estimate node-to-node distances in both the original graph (for decremental update) and its sparsifier (for incremental update). For incremental updates, dyGRASS enables the identification of spectrally critical edges among the updates to capture the latest structural changes. For decremental updates, dyGRASS facilitates the recovery of important edges from the original graph back into the sparsifier. To further enhance computational efficiency, dyGRASS employs a GPU-based non-backtracking random walk scheme that allows multiple walkers to operate simultaneously across various target updates. This parallelization significantly improves both the performance and scalability of the proposed dyGRASS framework. Our comprehensive experimental evaluations reveal that dyGRASS achieves approximately a 10x speedup compared to the state-of-the-art incremental sparsification (inGRASS) algorithm while eliminating the setup overhead and improving solution quality in incremental spectral sparsification tasks. Moreover, dyGRASS delivers high efficiency and superior solution quality for fully dynamic graph sparsification, accommodating both edge insertions and deletions across a diverse range of graph instances originating from integrated circuit simulations, finite element analysis, and social networks.

Transformer models serve as the backbone of many state-ofthe-art language models, and most use the scaled dot-product attention (SDPA) mechanism to capture relationships between tokens. However, the straightforward implementation of SDPA has quadratic compute and memory complexity with respect to the sequence length. On processor architectures such as GPUs and TPUs, there is a robust body of prior work. However, little work has been performed on non-processor architectures.In this work, we show how the architecture and execution model of Streaming Dataflow Accelerators can help tackle this challenge. We first define abstract hardware that adopts a streaming execution model, and we implement a cycle-accurate simulator of the abstract hardware using the Dataflow Abstract Machine simulation framework. Second, we implement the naive SDPA algorithm on this abstract hardware and show it requires linear (O(N)) intermediate memory. Third, we then modify the naive algorithm, taking inspiration from prior processor-oriented works, by reordering the multiplication and division operations. Finally, we map the modified algorithm to abstract hardware, and confirm that the implementation computes SDPA at full throughput while only using a constant amount (O(1)) of intermediate memory.

We study the problem of visualizing large-scale and high-dimensional data in a low-dimensional (typically 2D or 3D) space. Much success has been reported recently by techniques that first compute a similarity structure of the data points and then project them into a low-dimensional space with the structure preserved. These two steps suffer from considerable computational costs, preventing the state-of-the-art methods such as the t-SNE from scaling to large-scale and high-dimensional data (e.g., millions of data points and hundreds of dimensions). We propose the LargeVis, a technique that first constructs an accurately approximated K-nearest neighbor graph from the data and then layouts the graph in the low-dimensional space. Comparing to t-SNE, LargeVis significantly reduces the computational cost of the graph construction step and employs a principled probabilistic model for the visualization step, the objective of which can be effectively optimized through asynchronous stochastic gradient descent with a linear time complexity. The whole procedure thus easily scales to millions of high-dimensional data points. Experimental results on real-world data sets demonstrate that the LargeVis outperforms the state-of-the-art methods in both efficiency and effectiveness. The hyper-parameters of LargeVis are also much more stable over different data sets.

Graphs or networks are a very convenient way to represent data with lots of interaction. Recently, Machine Learning on Graph data has gained a lot of traction. In particular, vertex classification and missing edge detection have very interesting applications, ranging from drug discovery to recommender systems. To achieve such tasks, tremendous work has been accomplished to learn embedding of nodes and edges into finite-dimension vector spaces. This task is called Graph Representation Learning. However, Graph Representation Learning techniques often display prohibitive time and memory complexities, preventing their use in real-time with business size graphs. In this paper, we address this issue by leveraging a degeneracy property of Graphs - the K-Core Decomposition. We present two techniques taking advantage of this decomposition to reduce the time and memory consumption of walk-based Graph Representation Learning algorithms. We evaluate the performances, expressed in terms of quality of embedding and computational resources, of the proposed techniques on several academic datasets. Our code is available at https://github.com/SBrandeis/kcore-embedding

We introduce **SWE-Flow**, a novel data synthesis framework grounded in Test-Driven Development (TDD). Unlike existing software engineering data that rely on human-submitted issues, **SWE-Flow** automatically infers incremental development steps directly from unit tests, which inherently encapsulate high-level requirements. The core of **SWE-Flow** is the construction of a Runtime Dependency Graph (RDG), which precisely captures function interactions, enabling the generation of a structured, step-by-step *development schedule*. At each step, **SWE-Flow** produces a partial codebase, the corresponding unit tests, and the necessary code modifications, resulting in fully verifiable TDD tasks. With this approach, we generated 16,061 training instances and 2,020 test instances from real-world GitHub projects, creating the **SWE-Flow-Eval** benchmark. Our experiments show that fine-tuning open model on this dataset significantly improves performance in TDD-based coding. To facilitate further research, we release all code, datasets, models, and Docker images at [Github](https://github.com/Hambaobao/SWE-Flow).

Federated learning is an active research topic since it enables several participants to jointly train a model without sharing local data. Currently, cross-silo federated learning is a popular training setting that utilizes a few hundred reliable data silos with high-speed access links to training a model. While this approach has been widely applied in real-world scenarios, designing a robust topology to reduce the training time remains an open problem. In this paper, we present a new multigraph topology for cross-silo federated learning. We first construct the multigraph using the overlay graph. We then parse this multigraph into different simple graphs with isolated nodes. The existence of isolated nodes allows us to perform model aggregation without waiting for other nodes, hence effectively reducing the training time. Intensive experiments on three public datasets show that our proposed method significantly reduces the training time compared with recent state-of-the-art topologies while maintaining the accuracy of the learned model. Our code can be found at https://github.com/aioz-ai/MultigraphFL

Graph Structure Learning (GSL) has recently garnered considerable attention due to its ability to optimize both the parameters of Graph Neural Networks (GNNs) and the computation graph structure simultaneously. Despite the proliferation of GSL methods developed in recent years, there is no standard experimental setting or fair comparison for performance evaluation, which creates a great obstacle to understanding the progress in this field. To fill this gap, we systematically analyze the performance of GSL in different scenarios and develop a comprehensive Graph Structure Learning Benchmark (GSLB) curated from 20 diverse graph datasets and 16 distinct GSL algorithms. Specifically, GSLB systematically investigates the characteristics of GSL in terms of three dimensions: effectiveness, robustness, and complexity. We comprehensively evaluate state-of-the-art GSL algorithms in node- and graph-level tasks, and analyze their performance in robust learning and model complexity. Further, to facilitate reproducible research, we have developed an easy-to-use library for training, evaluating, and visualizing different GSL methods. Empirical results of our extensive experiments demonstrate the ability of GSL and reveal its potential benefits on various downstream tasks, offering insights and opportunities for future research. The code of GSLB is available at: https://github.com/GSL-Benchmark/GSLB.

As machine learning (ML) is increasingly integrated into our everyday Web experience, there is a call for transparent and explainable web-based ML. However, existing explainability techniques often require dedicated backend servers, which limit their usefulness as the Web community moves toward in-browser ML for lower latency and greater privacy. To address the pressing need for a client-side explainability solution, we present WebSHAP, the first in-browser tool that adapts the state-of-the-art model-agnostic explainability technique SHAP to the Web environment. Our open-source tool is developed with modern Web technologies such as WebGL that leverage client-side hardware capabilities and make it easy to integrate into existing Web ML applications. We demonstrate WebSHAP in a usage scenario of explaining ML-based loan approval decisions to loan applicants. Reflecting on our work, we discuss the opportunities and challenges for future research on transparent Web ML. WebSHAP is available at https://github.com/poloclub/webshap.

With the increasing scale of models, the need for efficient distributed training has become increasingly urgent. Recently, many synchronous pipeline parallelism approaches have been proposed to improve training throughput. However, these approaches still suffer from two major issues, i.e., pipeline bubbles caused by periodic flushing and extra communication due to the increasing number of pipeline stages. To this end, we propose BitPipe, a bidirectional interleaved pipeline parallelism for accelerating large models training. Specifically, a hybrid scheme of fusing interleaved pipelines with bidirectional pipelines is proposed to reduce the computational time of each single micro-batch and multiply the number of devices executing simultaneously. A V-shaped schedule with eager gradient synchronization is introduced to reduce and overlap the communication between devices. Experiments conducted on up to 32 GPUs show that BitPipe improves the training throughput of GPT-style and BERT-style models by 1.05x-1.28x compared to the state-of-the-art synchronous approaches. The code of our implementation is available at https://github.com/wuhouming/BitPipe.

With the emergence of data marketplaces, the demand for methods to assess the value of data has increased significantly. While numerous techniques have been proposed for this purpose, none have specifically addressed graphs as the main data modality. Graphs are widely used across various fields, ranging from chemical molecules to social networks. In this study, we break down graphs into two main components: structural and featural, and we focus on evaluating data without relying on specific task-related metrics, making it applicable in practical scenarios where validation requirements may be lacking. We introduce a novel framework called blind message passing, which aligns the seller's and buyer's graphs using a shared node permutation based on graph matching. This allows us to utilize the graph Wasserstein distance to quantify the differences in the structural distribution of graph datasets, called the structural disparities. We then consider featural aspects of buyers' and sellers' graphs for data valuation and capture their statistical similarities and differences, referred to as relevance and diversity, respectively. Our approach ensures that buyers and sellers remain unaware of each other's datasets. Our experiments on real datasets demonstrate the effectiveness of our approach in capturing the relevance, diversity, and structural disparities of seller data for buyers, particularly in graph-based data valuation scenarios.

Simulating physics using Graph Neural Networks (GNNs) is predominantly driven by message-passing architectures, which face challenges in scaling and efficiency, particularly in handling large, complex meshes. These architectures have inspired numerous enhancements, including multigrid approaches and K-hop aggregation (using neighbours of distance K), yet they often introduce significant complexity and suffer from limited in-depth investigations. In response to these challenges, we propose a novel Graph Transformer architecture that leverages the adjacency matrix as an attention mask. The proposed approach incorporates innovative augmentations, including Dilated Sliding Windows and Global Attention, to extend receptive fields without sacrificing computational efficiency. Through extensive experimentation, we evaluate model size, adjacency matrix augmentations, positional encoding and K-hop configurations using challenging 3D computational fluid dynamics (CFD) datasets. We also train over 60 models to find a scaling law between training FLOPs and parameters. The introduced models demonstrate remarkable scalability, performing on meshes with up to 300k nodes and 3 million edges. Notably, the smallest model achieves parity with MeshGraphNet while being 7times faster and 6times smaller. The largest model surpasses the previous state-of-the-art by 38.8\% on average and outperforms MeshGraphNet by 52\% on the all-rollout RMSE, while having a similar training speed. Code and datasets are available at https://github.com/DonsetPG/graph-physics.

Graph embedding methods produce unsupervised node features from graphs that can then be used for a variety of machine learning tasks. Modern graphs, particularly in industrial applications, contain billions of nodes and trillions of edges, which exceeds the capability of existing embedding systems. We present PyTorch-BigGraph (PBG), an embedding system that incorporates several modifications to traditional multi-relation embedding systems that allow it to scale to graphs with billions of nodes and trillions of edges. PBG uses graph partitioning to train arbitrarily large embeddings on either a single machine or in a distributed environment. We demonstrate comparable performance with existing embedding systems on common benchmarks, while allowing for scaling to arbitrarily large graphs and parallelization on multiple machines. We train and evaluate embeddings on several large social network graphs as well as the full Freebase dataset, which contains over 100 million nodes and 2 billion edges.

Data preprocessing pipelines, which includes data decoding, cleaning, and transforming, are a crucial component of Machine Learning (ML) training. Thy are computationally intensive and often become a major bottleneck, due to the increasing performance gap between the CPUs used for preprocessing and the GPUs used for model training. Recent studies show that a significant number of CPUs across several machines are required to achieve sufficient throughput to saturate the GPUs, leading to increased resource and energy consumption. When the pipeline involves vocabulary generation, the preprocessing performance scales poorly due to significant row-wise synchronization overhead between different CPU cores and servers. To address this limitation, in this paper we present the design of Piper, a hardware accelerator for tabular data preprocessing, prototype it on FPGAs, and demonstrate its potential for training pipelines of commercial recommender systems. Piper achieves 4.7 sim 71.3times speedup in latency over a 128-core CPU server and outperforms a data-center GPU by 4.8sim 20.3times when using binary input. The impressive performance showcases Piper's potential to increase the efficiency of data preprocessing pipelines and significantly reduce their resource consumption.

We present a formulation of flow matching as variational inference, which we refer to as variational flow matching (VFM). Based on this formulation we develop CatFlow, a flow matching method for categorical data. CatFlow is easy to implement, computationally efficient, and achieves strong results on graph generation tasks. In VFM, the objective is to approximate the posterior probability path, which is a distribution over possible end points of a trajectory. We show that VFM admits both the CatFlow objective and the original flow matching objective as special cases. We also relate VFM to score-based models, in which the dynamics are stochastic rather than deterministic, and derive a bound on the model likelihood based on a reweighted VFM objective. We evaluate CatFlow on one abstract graph generation task and two molecular generation tasks. In all cases, CatFlow exceeds or matches performance of the current state-of-the-art models.

This paper introduces Opus, a novel framework for generating and optimizing Workflows tailored to complex Business Process Outsourcing (BPO) use cases, focusing on cost reduction and quality enhancement while adhering to established industry processes and operational constraints. Our approach generates executable Workflows from Intention, defined as the alignment of Client Input, Client Output, and Process Context. These Workflows are represented as Directed Acyclic Graphs (DAGs), with nodes as Tasks consisting of sequences of executable Instructions, including tools and human expert reviews. We adopt a two-phase methodology: Workflow Generation and Workflow Optimization. In the Generation phase, Workflows are generated using a Large Work Model (LWM) informed by a Work Knowledge Graph (WKG) that encodes domain-specific procedural and operational knowledge. In the Optimization phase, Workflows are transformed into Workflow Graphs (WFGs), where optimal Workflows are determined through path optimization. Our experiments demonstrate that state-of-the-art Large Language Models (LLMs) face challenges in reliably retrieving detailed process data as well as generating industry-compliant workflows. The key contributions of this paper include: - The integration of a Work Knowledge Graph (WKG) into a Large Work Model (LWM), enabling the generation of context-aware, semantically aligned, structured and auditable Workflows. - A two-phase approach that combines Workflow Generation from Intention with graph-based Workflow Optimization. - Opus Alpha 1 Large and Opus Alpha 1 Small, models that outperform state-of-the-art LLMs by 38\% and 29\% respectively in Workflow Generation for a Medical Coding use case.

Flow matching (FM) is a general framework for defining probability paths via Ordinary Differential Equations (ODEs) to transform between noise and data samples. Recent approaches attempt to straighten these flow trajectories to generate high-quality samples with fewer function evaluations, typically through iterative rectification methods or optimal transport solutions. In this paper, we introduce Consistency Flow Matching (Consistency-FM), a novel FM method that explicitly enforces self-consistency in the velocity field. Consistency-FM directly defines straight flows starting from different times to the same endpoint, imposing constraints on their velocity values. Additionally, we propose a multi-segment training approach for Consistency-FM to enhance expressiveness, achieving a better trade-off between sampling quality and speed. Preliminary experiments demonstrate that our Consistency-FM significantly improves training efficiency by converging 4.4x faster than consistency models and 1.7x faster than rectified flow models while achieving better generation quality. Our code is available at: https://github.com/YangLing0818/consistency_flow_matching

With deep learning models rapidly growing in size, systems-level solutions for large-model training are required. We present Amazon SageMaker model parallelism, a software library that integrates with PyTorch, and enables easy training of large models using model parallelism and other memory-saving features. In contrast to existing solutions, the implementation of the SageMaker library is much more generic and flexible, in that it can automatically partition and run pipeline parallelism over arbitrary model architectures with minimal code change, and also offers a general and extensible framework for tensor parallelism, which supports a wider range of use cases, and is modular enough to be easily applied to new training scripts. The library also preserves the native PyTorch user experience to a much larger degree, supporting module re-use and dynamic graphs, while giving the user full control over the details of the training step. We evaluate performance over GPT-3, RoBERTa, BERT, and neural collaborative filtering, and demonstrate competitive performance over existing solutions.

We introduce SeedEdit 3.0, in companion with our T2I model Seedream 3.0, which significantly improves over our previous SeedEdit versions in both aspects of edit instruction following and image content (e.g., ID/IP) preservation on real image inputs. Additional to model upgrading with T2I, in this report, we present several key improvements. First, we develop an enhanced data curation pipeline with a meta-info paradigm and meta-info embedding strategy that help mix images from multiple data sources. This allows us to scale editing data effectively, and meta information is helpfult to connect VLM with diffusion model more closely. Second, we introduce a joint learning pipeline for computing a diffusion loss and reward losses. Finally, we evaluate SeedEdit 3.0 on our testing benchmarks, for real/synthetic image editing, where it achieves a best trade-off between multiple aspects, yielding a high usability rate of 56.1%, compared to SeedEdit 1.6 (38.4%), GPT4o (37.1%) and Gemini 2.0 (30.3%).

Diffusion-based generative graph models have been proven effective in generating high-quality small graphs. However, they need to be more scalable for generating large graphs containing thousands of nodes desiring graph statistics. In this work, we propose EDGE, a new diffusion-based generative graph model that addresses generative tasks with large graphs. To improve computation efficiency, we encourage graph sparsity by using a discrete diffusion process that randomly removes edges at each time step and finally obtains an empty graph. EDGE only focuses on a portion of nodes in the graph at each denoising step. It makes much fewer edge predictions than previous diffusion-based models. Moreover, EDGE admits explicitly modeling the node degrees of the graphs, further improving the model performance. The empirical study shows that EDGE is much more efficient than competing methods and can generate large graphs with thousands of nodes. It also outperforms baseline models in generation quality: graphs generated by our approach have more similar graph statistics to those of the training graphs.

We propose a novel feed-forward 3D editing framework called Shap-Editor. Prior research on editing 3D objects primarily concentrated on editing individual objects by leveraging off-the-shelf 2D image editing networks. This is achieved via a process called distillation, which transfers knowledge from the 2D network to 3D assets. Distillation necessitates at least tens of minutes per asset to attain satisfactory editing results, and is thus not very practical. In contrast, we ask whether 3D editing can be carried out directly by a feed-forward network, eschewing test-time optimisation. In particular, we hypothesise that editing can be greatly simplified by first encoding 3D objects in a suitable latent space. We validate this hypothesis by building upon the latent space of Shap-E. We demonstrate that direct 3D editing in this space is possible and efficient by building a feed-forward editor network that only requires approximately one second per edit. Our experiments show that Shap-Editor generalises well to both in-distribution and out-of-distribution 3D assets with different prompts, exhibiting comparable performance with methods that carry out test-time optimisation for each edited instance.

During early optimization passes, compilers must make predictions for machine-dependent characteristics such as execution unit utilization, number of register spills, latency, throughput etc. to generate better code. Often a hand-written static/analytical hardware cost model is built into the compiler. However, the need for more sophisticated and varied predictions has become more pronounced with the development of deep learning compilers which need to optimize dataflow graphs. Such compilers usually employ a much higher level MLIR form as an IR representation before lowering to traditional LLVM-IR. A static/analytical cost model in such a scenario is cumbersome and error prone as the opcodes represent very high level algebraic/arithmetic operations. Hence, we develop a machine learning-based cost model for high-level MLIR which can predict different target variables of interest such as CPU/GPU/xPU utilization, instructions executed, register usage etc. By considering the incoming MLIR as a text input a la NLP models we can apply well-known techniques from modern NLP research to help predict hardware characteristics more accurately. We expect such precise ML-driven hardware cost models to guide our deep learning compiler in graph level optimizations around operator fusion, local memory allocation, kernel scheduling etc. as well as in many kernel-level optimizations such as loop interchange, LICM and unroll. We report early work-in -progress results of developing such models on high-level MLIR representing dataflow graphs emitted by Pytorch/Tensorflow-like frameworks as well as lower-level dialects like affine. We show that these models can provide reasonably good estimates with low error bounds for various hardware characteristics of interest and can be a go-to mechanism for hardware cost modelling in the future.

We present Shap-E, a conditional generative model for 3D assets. Unlike recent work on 3D generative models which produce a single output representation, Shap-E directly generates the parameters of implicit functions that can be rendered as both textured meshes and neural radiance fields. We train Shap-E in two stages: first, we train an encoder that deterministically maps 3D assets into the parameters of an implicit function; second, we train a conditional diffusion model on outputs of the encoder. When trained on a large dataset of paired 3D and text data, our resulting models are capable of generating complex and diverse 3D assets in a matter of seconds. When compared to Point-E, an explicit generative model over point clouds, Shap-E converges faster and reaches comparable or better sample quality despite modeling a higher-dimensional, multi-representation output space. We release model weights, inference code, and samples at https://github.com/openai/shap-e.

In many real-world applications, graph-structured data used for training and testing have differences in distribution, such as in high energy physics (HEP) where simulation data used for training may not match real experiments. Graph domain adaptation (GDA) is a method used to address these differences. However, current GDA primarily works by aligning the distributions of node representations output by a single graph neural network encoder shared across the training and testing domains, which may often yield sub-optimal solutions. This work examines different impacts of distribution shifts caused by either graph structure or node attributes and identifies a new type of shift, named conditional structure shift (CSS), which current GDA approaches are provably sub-optimal to deal with. A novel approach, called structural reweighting (StruRW), is proposed to address this issue and is tested on synthetic graphs, four benchmark datasets, and a new application in HEP. StruRW has shown significant performance improvement over the baselines in the settings with large graph structure shifts, and reasonable performance improvement when node attribute shift dominates.

Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitations of existing methods is their large output space, which limits generation scalability and hinders accurate modeling of the underlying distribution. To overcome these limitations, we propose a novel approach that significantly reduces the output space of existing graph generative models. Specifically, starting from the observation that many real-world graphs have low graph bandwidth, we restrict graph bandwidth during training and generation. Our strategy improves both generation scalability and quality without increasing architectural complexity or reducing expressiveness. Our approach is compatible with existing graph generative methods, and we describe its application to both autoregressive and one-shot models. We extensively validate our strategy on synthetic and real datasets, including molecular graphs. Our experiments show that, in addition to improving generation efficiency, our approach consistently improves generation quality and reconstruction accuracy. The implementation is made available.

Flow matching is a powerful framework for generating high-quality samples in various applications, especially image synthesis. However, the intensive computational demands of these models, especially during the fine-tuning process and sampling processes, pose significant challenges for low-resource scenarios. This paper introduces Bellman Optimal Step-size Straightening (BOSS) technique for distilling flow-matching generative models: it aims specifically for a few-step efficient image sampling while adhering to a computational budget constraint. First, this technique involves a dynamic programming algorithm that optimizes the step sizes of the pretrained network. Then, it refines the velocity network to match the optimal step sizes, aiming to straighten the generation paths. Extensive experimental evaluations across image generation tasks demonstrate the efficacy of BOSS in terms of both resource utilization and image quality. Our results reveal that BOSS achieves substantial gains in efficiency while maintaining competitive sample quality, effectively bridging the gap between low-resource constraints and the demanding requirements of flow-matching generative models. Our paper also fortifies the responsible development of artificial intelligence, offering a more sustainable generative model that reduces computational costs and environmental footprints. Our code can be found at https://github.com/nguyenngocbaocmt02/BOSS.

Given a graph G and the desired size k in bits, how can we summarize G within k bits, while minimizing the information loss? Large-scale graphs have become omnipresent, posing considerable computational challenges. Analyzing such large graphs can be fast and easy if they are compressed sufficiently to fit in main memory or even cache. Graph summarization, which yields a coarse-grained summary graph with merged nodes, stands out with several advantages among graph compression techniques. Thus, a number of algorithms have been developed for obtaining a concise summary graph with little information loss or equivalently small reconstruction error. However, the existing methods focus solely on reducing the number of nodes, and they often yield dense summary graphs, failing to achieve better compression rates. Moreover, due to their limited scalability, they can be applied only to moderate-size graphs. In this work, we propose SSumM, a scalable and effective graph-summarization algorithm that yields a sparse summary graph. SSumM not only merges nodes together but also sparsifies the summary graph, and the two strategies are carefully balanced based on the minimum description length principle. Compared with state-of-the-art competitors, SSumM is (a) Concise: yields up to 11.2X smaller summary graphs with similar reconstruction error, (b) Accurate: achieves up to 4.2X smaller reconstruction error with similarly concise outputs, and (c) Scalable: summarizes 26X larger graphs while exhibiting linear scalability. We validate these advantages through extensive experiments on 10 real-world graphs.

Communication-reduction techniques are a popular way to improve scalability in data-parallel training of deep neural networks (DNNs). The recent emergence of large language models such as GPT has created the need for new approaches to exploit data-parallelism. Among these, fully-sharded data parallel (FSDP) training is highly popular, yet it still encounters scalability bottlenecks. One reason is that applying compression techniques to FSDP is challenging: as the vast majority of the communication involves the model's weights, direct compression alters convergence and leads to accuracy loss. We present QSDP, a variant of FSDP which supports both gradient and weight quantization with theoretical guarantees, is simple to implement and has essentially no overheads. To derive QSDP we prove that a natural modification of SGD achieves convergence even when we only maintain quantized weights, and thus the domain over which we train consists of quantized points and is, therefore, highly non-convex. We validate this approach by training GPT-family models with up to 1.3 billion parameters on a multi-node cluster. Experiments show that QSDP preserves model accuracy, while completely removing the communication bottlenecks of FSDP, providing end-to-end speedups of up to 2.2x.

Reinforcement Learning from Human Feedback (RLHF) is widely used in Large Language Model (LLM) alignment. Traditional RL can be modeled as a dataflow, where each node represents computation of a neural network (NN) and each edge denotes data dependencies between the NNs. RLHF complicates the dataflow by expanding each node into a distributed LLM training or generation program, and each edge into a many-to-many multicast. Traditional RL frameworks execute the dataflow using a single controller to instruct both intra-node computation and inter-node communication, which can be inefficient in RLHF due to large control dispatch overhead for distributed intra-node computation. Existing RLHF systems adopt a multi-controller paradigm, which can be inflexible due to nesting distributed computation and data communication. We propose HybridFlow, which combines single-controller and multi-controller paradigms in a hybrid manner to enable flexible representation and efficient execution of the RLHF dataflow. We carefully design a set of hierarchical APIs that decouple and encapsulate computation and data dependencies in the complex RLHF dataflow, allowing efficient operation orchestration to implement RLHF algorithms and flexible mapping of the computation onto various devices. We further design a 3D-HybridEngine for efficient actor model resharding between training and generation phases, with zero memory redundancy and significantly reduced communication overhead. Our experimental results demonstrate 1.53times~20.57times throughput improvement when running various RLHF algorithms using HybridFlow, as compared with state-of-the-art baselines. HybridFlow source code will be available at https://github.com/volcengine/verl.

Tabular data, ubiquitous and rich in informational value, is an increasing focus for deep representation learning, yet progress is hindered by studies centered on single tables or isolated databases, which limits model capabilities due to data scale. While collaborative learning approaches such as federated learning, transfer learning, split learning, and tabular foundation models aim to learn from multiple correlated databases, they are challenged by a scarcity of real-world interconnected tabular resources. Current data lakes and corpora largely consist of isolated databases lacking defined inter-database correlations. To overcome this, we introduce WikiDBGraph, a large-scale graph of 100,000 real-world tabular databases from WikiData, interconnected by 17 million edges and characterized by 13 node and 12 edge properties derived from its database schema and data distribution. WikiDBGraph's weighted edges identify both instance- and feature-overlapped databases. Experiments on these newly identified databases confirm that collaborative learning yields superior performance, thereby offering considerable promise for structured foundation model training while also exposing key challenges and future directions for learning from interconnected tabular data.

Large model inference is shifting from cloud to edge due to concerns about the privacy of user interaction data. However, edge devices often struggle with limited computing power, memory, and bandwidth, requiring collaboration across multiple devices to run and speed up LLM inference. Pipeline parallelism, the mainstream solution, is inefficient for single-user scenarios, while tensor parallelism struggles with frequent communications. In this paper, we argue that tensor parallelism can be more effective than pipeline on low-resource devices, and present a compute- and memory-efficient tensor parallel inference system, named TPI-LLM, to serve 70B-scale models. TPI-LLM keeps sensitive raw data local in the users' devices and introduces a sliding window memory scheduler to dynamically manage layer weights during inference, with disk I/O latency overlapped with the computation and communication. This allows larger models to run smoothly on memory-limited devices. We analyze the communication bottleneck and find that link latency, not bandwidth, emerges as the main issue, so a star-based allreduce algorithm is implemented. Through extensive experiments on both emulated and real testbeds, TPI-LLM demonstrated over 80% less time-to-first-token and token latency compared to Accelerate, and over 90% compared to Transformers and Galaxy, while cutting the peak memory footprint of Llama 2-70B by 90%, requiring only 3.1 GB of memory for 70B-scale models.

Hyperspectral sensors have enjoyed widespread use in the realm of remote sensing; however, they must be adapted to a format in which they can be operated onboard mobile robots. In this work, we introduce a first-of-its-kind system architecture with snapshot hyperspectral cameras and point spectrometers to efficiently generate composite datacubes from a robotic base. Our system collects and registers datacubes spanning the visible to shortwave infrared (660-1700 nm) spectrum while simultaneously capturing the ambient solar spectrum reflected off a white reference tile. We collect and disseminate a large dataset of more than 500 labeled datacubes from on-road and off-road terrain compliant with the ATLAS ontology to further the integration and demonstration of hyperspectral imaging (HSI) as beneficial in terrain class separability. Our analysis of this data demonstrates that HSI is a significant opportunity to increase understanding of scene composition from a robot-centric context. All code and data are open source online: https://river-lab.github.io/hyper_drive_data

Despite Flow Matching and diffusion models having emerged as powerful generative paradigms for continuous variables such as images and videos, their application to high-dimensional discrete data, such as language, is still limited. In this work, we present Discrete Flow Matching, a novel discrete flow paradigm designed specifically for generating discrete data. Discrete Flow Matching offers several key contributions: (i) it works with a general family of probability paths interpolating between source and target distributions; (ii) it allows for a generic formula for sampling from these probability paths using learned posteriors such as the probability denoiser (x-prediction) and noise-prediction (epsilon-prediction); (iii) practically, focusing on specific probability paths defined with different schedulers considerably improves generative perplexity compared to previous discrete diffusion and flow models; and (iv) by scaling Discrete Flow Matching models up to 1.7B parameters, we reach 6.7% Pass@1 and 13.4% Pass@10 on HumanEval and 6.7% Pass@1 and 20.6% Pass@10 on 1-shot MBPP coding benchmarks. Our approach is capable of generating high-quality discrete data in a non-autoregressive fashion, significantly closing the gap between autoregressive models and discrete flow models.

The exponential growth of scientific literature requires effective management and extraction of valuable insights. While existing scientific search engines excel at delivering search results based on relational databases, they often neglect the analysis of collaborations between scientific entities and the evolution of ideas, as well as the in-depth analysis of content within scientific publications. The representation of heterogeneous graphs and the effective measurement, analysis, and mining of such graphs pose significant challenges. To address these challenges, we present AceMap, an academic system designed for knowledge discovery through academic graph. We present advanced database construction techniques to build the comprehensive AceMap database with large-scale academic entities that contain rich visual, textual, and numerical information. AceMap also employs innovative visualization, quantification, and analysis methods to explore associations and logical relationships among academic entities. AceMap introduces large-scale academic network visualization techniques centered on nebular graphs, providing a comprehensive view of academic networks from multiple perspectives. In addition, AceMap proposes a unified metric based on structural entropy to quantitatively measure the knowledge content of different academic entities. Moreover, AceMap provides advanced analysis capabilities, including tracing the evolution of academic ideas through citation relationships and concept co-occurrence, and generating concise summaries informed by this evolutionary process. In addition, AceMap uses machine reading methods to generate potential new ideas at the intersection of different fields. Exploring the integration of large language models and knowledge graphs is a promising direction for future research in idea evolution. Please visit https://www.acemap.info for further exploration.

Flow matching has emerged as a promising framework for training generative models, demonstrating impressive empirical performance while offering relative ease of training compared to diffusion-based models. However, this method still requires numerous function evaluations in the sampling process. To address these limitations, we introduce a self-corrected flow distillation method that effectively integrates consistency models and adversarial training within the flow-matching framework. This work is a pioneer in achieving consistent generation quality in both few-step and one-step sampling. Our extensive experiments validate the effectiveness of our method, yielding superior results both quantitatively and qualitatively on CelebA-HQ and zero-shot benchmarks on the COCO dataset. Our implementation is released at https://github.com/VinAIResearch/SCFlow

Monolithic large language models (LLMs) like GPT-4 have paved the way for modern generative AI applications. Training, serving, and maintaining monolithic LLMs at scale, however, remains prohibitively expensive and challenging. The disproportionate increase in compute-to-memory ratio of modern AI accelerators have created a memory wall, necessitating new methods to deploy AI. Composition of Experts (CoE) is an alternative modular approach that lowers the cost and complexity of training and serving. However, this approach presents two key challenges when using conventional hardware: (1) without fused operations, smaller models have lower operational intensity, which makes high utilization more challenging to achieve; and (2) hosting a large number of models can be either prohibitively expensive or slow when dynamically switching between them. In this paper, we describe how combining CoE, streaming dataflow, and a three-tier memory system scales the AI memory wall. We describe Samba-CoE, a CoE system with 150 experts and a trillion total parameters. We deploy Samba-CoE on the SambaNova SN40L Reconfigurable Dataflow Unit (RDU) - a commercial dataflow accelerator architecture that has been co-designed for enterprise inference and training applications. The chip introduces a new three-tier memory system with on-chip distributed SRAM, on-package HBM, and off-package DDR DRAM. A dedicated inter-RDU network enables scaling up and out over multiple sockets. We demonstrate speedups ranging from 2x to 13x on various benchmarks running on eight RDU sockets compared with an unfused baseline. We show that for CoE inference deployments, the 8-socket RDU Node reduces machine footprint by up to 19x, speeds up model switching time by 15x to 31x, and achieves an overall speedup of 3.7x over a DGX H100 and 6.6x over a DGX A100.

Following the success of Word2Vec embeddings, graph embeddings (GEs) have gained substantial traction. GEs are commonly generated and evaluated extrinsically on downstream applications, but intrinsic evaluations of the original graph properties in terms of topological structure and semantic information have been lacking. Understanding these will help identify the deficiency of the various families of GE methods when vectorizing graphs in terms of preserving the relevant knowledge or learning incorrect knowledge. To address this, we propose RESTORE, a framework for intrinsic GEs assessment through graph reconstruction. We show that reconstructing the original graph from the underlying GEs yields insights into the relative amount of information preserved in a given vector form. We first introduce the graph reconstruction task. We generate GEs from three GE families based on factorization methods, random walks, and deep learning (with representative algorithms from each family) on the CommonSense Knowledge Graph (CSKG). We analyze their effectiveness in preserving the (a) topological structure of node-level graph reconstruction with an increasing number of hops and (b) semantic information on various word semantic and analogy tests. Our evaluations show deep learning-based GE algorithm (SDNE) is overall better at preserving (a) with a mean average precision (mAP) of 0.54 and 0.35 for 2 and 3-hop reconstruction respectively, while the factorization-based algorithm (HOPE) is better at encapsulating (b) with an average Euclidean distance of 0.14, 0.17, and 0.11 for 1, 2, and 3-hop reconstruction respectively. The modest performance of these GEs leaves room for further research avenues on better graph representation learning.

Diffusion models have revolutionized generative tasks through high-fidelity outputs, yet flow matching (FM) offers faster inference and empirical performance gains. However, current foundation FM models are computationally prohibitive for finetuning, while diffusion models like Stable Diffusion benefit from efficient architectures and ecosystem support. This work addresses the critical challenge of efficiently transferring knowledge from pre-trained diffusion models to flow matching. We propose Diff2Flow, a novel framework that systematically bridges diffusion and FM paradigms by rescaling timesteps, aligning interpolants, and deriving FM-compatible velocity fields from diffusion predictions. This alignment enables direct and efficient FM finetuning of diffusion priors with no extra computation overhead. Our experiments demonstrate that Diff2Flow outperforms na\"ive FM and diffusion finetuning particularly under parameter-efficient constraints, while achieving superior or competitive performance across diverse downstream tasks compared to state-of-the-art methods. We will release our code at https://github.com/CompVis/diff2flow.

Privacy restrictions hinder the sharing of real-world Water Distribution Network (WDN) models, limiting the application of emerging data-driven machine learning, which typically requires extensive observations. To address this challenge, we propose the dataset DiTEC-WDN that comprises 36,000 unique scenarios simulated over either short-term (24 hours) or long-term (1 year) periods. We constructed this dataset using an automated pipeline that optimizes crucial parameters (e.g., pressure, flow rate, and demand patterns), facilitates large-scale simulations, and records discrete, synthetic but hydraulically realistic states under standard conditions via rule validation and post-hoc analysis. With a total of 228 million generated graph-based states, DiTEC-WDN can support a variety of machine-learning tasks, including graph-level, node-level, and link-level regression, as well as time-series forecasting. This contribution, released under a public license, encourages open scientific research in the critical water sector, eliminates the risk of exposing sensitive data, and fulfills the need for a large-scale water distribution network benchmark for study comparisons and scenario analysis.

Communication is a key bottleneck for distributed graph neural network (GNN) training. This paper proposes GNNPipe, a new approach that scales the distributed full-graph deep GNN training. Being the first to use layer-level model parallelism for GNN training, GNNPipe partitions GNN layers among GPUs, each device performs the computation for a disjoint subset of consecutive GNN layers on the whole graph. Compared to graph parallelism with each GPU handling a graph partition, GNNPipe reduces the communication volume by a factor of the number of GNN layers. GNNPipe overcomes the unique challenges for pipelined layer-level model parallelism on the whole graph by partitioning it into dependent chunks, allowing the use of historical vertex embeddings, and applying specific training techniques to ensure convergence. We also propose a hybrid approach by combining GNNPipe with graph parallelism to handle large graphs, achieve better computer resource utilization and ensure model convergence. We build a general GNN training system supporting all three parallelism setting. Extensive experiments show that our method reduces the per-epoch training time by up to 2.45x (on average 1.58x) and reduces the communication volume and overhead by up to 22.89x and 27.21x (on average 8.69x and 11.60x), respectively, while achieving a comparable level of model accuracy and convergence speed compared to graph parallelism.

Data-driven modeling of fluid dynamics has advanced rapidly with neural PDE solvers, yet a fair and strong benchmark remains fragmented due to the absence of unified PDE datasets and standardized evaluation protocols. Although architectural innovations are abundant, fair assessment is further impeded by the lack of clear disentanglement between spatial, temporal and loss modules. In this paper, we introduce FD-Bench, the first fair, modular, comprehensive and reproducible benchmark for data-driven fluid simulation. FD-Bench systematically evaluates 85 baseline models across 10 representative flow scenarios under a unified experimental setup. It provides four key contributions: (1) a modular design enabling fair comparisons across spatial, temporal, and loss function modules; (2) the first systematic framework for direct comparison with traditional numerical solvers; (3) fine-grained generalization analysis across resolutions, initial conditions, and temporal windows; and (4) a user-friendly, extensible codebase to support future research. Through rigorous empirical studies, FD-Bench establishes the most comprehensive leaderboard to date, resolving long-standing issues in reproducibility and comparability, and laying a foundation for robust evaluation of future data-driven fluid models. The code is open-sourced at https://anonymous.4open.science/r/FD-Bench-15BC.

Time-series causal discovery (TSCD) is a fundamental problem of machine learning. However, existing synthetic datasets cannot properly evaluate or predict the algorithms' performance on real data. This study introduces the CausalTime pipeline to generate time-series that highly resemble the real data and with ground truth causal graphs for quantitative performance evaluation. The pipeline starts from real observations in a specific scenario and produces a matching benchmark dataset. Firstly, we harness deep neural networks along with normalizing flow to accurately capture realistic dynamics. Secondly, we extract hypothesized causal graphs by performing importance analysis on the neural network or leveraging prior knowledge. Thirdly, we derive the ground truth causal graphs by splitting the causal model into causal term, residual term, and noise term. Lastly, using the fitted network and the derived causal graph, we generate corresponding versatile time-series proper for algorithm assessment. In the experiments, we validate the fidelity of the generated data through qualitative and quantitative experiments, followed by a benchmarking of existing TSCD algorithms using these generated datasets. CausalTime offers a feasible solution to evaluating TSCD algorithms in real applications and can be generalized to a wide range of fields. For easy use of the proposed approach, we also provide a user-friendly website, hosted on www.causaltime.cc.

Accumulation of corporate data in the cloud has attracted more enterprise applications to the cloud creating data gravity. As a consequence, network traffic has become more cloud centric. This increase in cloud centric traffic poses new challenges in designing learning systems for streaming data due to class imbalance. The number of classes plays a vital role in the accuracy of the classifiers built from the data streams. In this paper, we present a vector quantization-based sampling method, which substantially reduces the class imbalance in data streams. We demonstrate its effectiveness by conducting experiments on network traffic and anomaly dataset with commonly used ML model building methods; Multilayered Perceptron on TensorFlow backend, Support Vector Machines, K-Nearest Neighbour, and Random Forests. We built models using parallel processing, batch processing, and randomly selecting samples. We show that the accuracy of classification models improves when the data streams are pre-processed with our method. We used out of the box hyper-parameters of these classifiers and auto sklearn for hyperparameter optimization.

Low-precision formats such as float8 have been introduced in machine learning accelerated hardware to improve computational efficiency for large language models training and inference. Nevertheless, adoption by the ML community has been slowed down by the complex, and sometimes brittle, techniques required to match higher precision training accuracy. In this work, we present Scalify, a end-to-end scale propagation paradigm for computational graphs, generalizing and formalizing existing tensor scaling methods. Experiment results show that Scalify supports out-of-the-box float8 matrix multiplication and gradients representation, as well as float16 optimizer state storage. Our JAX implementation of Scalify is open-sourced at https://github.com/graphcore-research/jax-scalify

Graph Neural Networks (GNNs) have shown success in learning from graph-structured data, with applications to fraud detection, recommendation, and knowledge graph reasoning. However, training GNN efficiently is challenging because: 1) GPU memory capacity is limited and can be insufficient for large datasets, and 2) the graph-based data structure causes irregular data access patterns. In this work, we provide a method to statistical analyze and identify more frequently accessed data ahead of GNN training. Our data tiering method not only utilizes the structure of input graph, but also an insight gained from actual GNN training process to achieve a higher prediction result. With our data tiering method, we additionally provide a new data placement and access strategy to further minimize the CPU-GPU communication overhead. We also take into account of multi-GPU GNN training as well and we demonstrate the effectiveness of our strategy in a multi-GPU system. The evaluation results show that our work reduces CPU-GPU traffic by 87-95% and improves the training speed of GNN over the existing solutions by 1.6-2.1x on graphs with hundreds of millions of nodes and billions of edges.

This work proposes DyExpert, a dynamic graph model for cross-domain link prediction. It can explicitly model historical evolving processes to learn the evolution pattern of a specific downstream graph and subsequently make pattern-specific link predictions. DyExpert adopts a decode-only transformer and is capable of efficiently parallel training and inference by conditioned link generation that integrates both evolution modeling and link prediction. DyExpert is trained by extensive dynamic graphs across diverse domains, comprising 6M dynamic edges. Extensive experiments on eight untrained graphs demonstrate that DyExpert achieves state-of-the-art performance in cross-domain link prediction. Compared to the advanced baseline under the same setting, DyExpert achieves an average of 11.40% improvement Average Precision across eight graphs. More impressive, it surpasses the fully supervised performance of 8 advanced baselines on 6 untrained graphs.

The rapid scaling of large language models necessitates more lightweight finetuning methods to reduce the explosive GPU memory overhead when numerous customized models are served simultaneously. Targeting more parameter-efficient low-rank adaptation (LoRA), parameter sharing presents a promising solution. Empirically, our research into high-level sharing principles highlights the indispensable role of differentiation in reversing the detrimental effects of pure sharing. Guided by this finding, we propose Mixture of Shards (MoS), incorporating both inter-layer and intra-layer sharing schemes, and integrating four nearly cost-free differentiation strategies, namely subset selection, pair dissociation, vector sharding, and shard privatization. Briefly, it selects a designated number of shards from global pools with a Mixture-of-Experts (MoE)-like routing mechanism before sequentially concatenating them to low-rank matrices. Hence, it retains all the advantages of LoRA while offering enhanced parameter efficiency, and effectively circumvents the drawbacks of peer parameter-sharing methods. Our empirical experiments demonstrate approximately 8x parameter savings in a standard LoRA setting. The ablation study confirms the significance of each component. Our insights into parameter sharing and MoS method may illuminate future developments of more parameter-efficient finetuning methods.

Pipeline parallelism is one of the key components for large-scale distributed training, yet its efficiency suffers from pipeline bubbles which were deemed inevitable. In this work, we introduce a scheduling strategy that, to our knowledge, is the first to successfully achieve zero pipeline bubbles under synchronous training semantics. The key idea behind this improvement is to split the backward computation into two parts, one that computes gradient for the input and another that computes for the parameters. Based on this idea, we handcraft novel pipeline schedules that significantly outperform the baseline methods. We further develop an algorithm that automatically finds an optimal schedule based on specific model configuration and memory limit. Additionally, to truly achieve zero bubble, we introduce a novel technique to bypass synchronizations during the optimizer step. Experimental evaluations show that our method outperforms the 1F1B schedule up to 23% in throughput under a similar memory limit. This number can be further pushed to 31% when the memory constraint is relaxed. We believe our results mark a major step forward in harnessing the true potential of pipeline parallelism. We open sourced our implementation based on the popular Megatron-LM repository on https://github.com/sail-sg/zero-bubble-pipeline-parallelism.

Unconditional flow-matching trains diffusion models to transport samples from a source distribution to a target distribution by enforcing that the flows between sample pairs are unique. However, in conditional settings (e.g., class-conditioned models), this uniqueness is no longer guaranteed--flows from different conditions may overlap, leading to more ambiguous generations. We introduce Contrastive Flow Matching, an extension to the flow matching objective that explicitly enforces uniqueness across all conditional flows, enhancing condition separation. Our approach adds a contrastive objective that maximizes dissimilarities between predicted flows from arbitrary sample pairs. We validate Contrastive Flow Matching by conducting extensive experiments across varying model architectures on both class-conditioned (ImageNet-1k) and text-to-image (CC3M) benchmarks. Notably, we find that training models with Contrastive Flow Matching (1) improves training speed by a factor of up to 9x, (2) requires up to 5x fewer de-noising steps and (3) lowers FID by up to 8.9 compared to training the same models with flow matching. We release our code at: https://github.com/gstoica27/DeltaFM.git.

Data science tasks involving tabular data present complex challenges that require sophisticated problem-solving approaches. We propose AutoKaggle, a powerful and user-centric framework that assists data scientists in completing daily data pipelines through a collaborative multi-agent system. AutoKaggle implements an iterative development process that combines code execution, debugging, and comprehensive unit testing to ensure code correctness and logic consistency. The framework offers highly customizable workflows, allowing users to intervene at each phase, thus integrating automated intelligence with human expertise. Our universal data science toolkit, comprising validated functions for data cleaning, feature engineering, and modeling, forms the foundation of this solution, enhancing productivity by streamlining common tasks. We selected 8 Kaggle competitions to simulate data processing workflows in real-world application scenarios. Evaluation results demonstrate that AutoKaggle achieves a validation submission rate of 0.85 and a comprehensive score of 0.82 in typical data science pipelines, fully proving its effectiveness and practicality in handling complex data science tasks.

Enabling effective and efficient machine learning (ML) over large-scale graph data (e.g., graphs with billions of edges) can have a great impact on both industrial and scientific applications. However, existing efforts to advance large-scale graph ML have been largely limited by the lack of a suitable public benchmark. Here we present OGB Large-Scale Challenge (OGB-LSC), a collection of three real-world datasets for facilitating the advancements in large-scale graph ML. The OGB-LSC datasets are orders of magnitude larger than existing ones, covering three core graph learning tasks -- link prediction, graph regression, and node classification. Furthermore, we provide dedicated baseline experiments, scaling up expressive graph ML models to the massive datasets. We show that expressive models significantly outperform simple scalable baselines, indicating an opportunity for dedicated efforts to further improve graph ML at scale. Moreover, OGB-LSC datasets were deployed at ACM KDD Cup 2021 and attracted more than 500 team registrations globally, during which significant performance improvements were made by a variety of innovative techniques. We summarize the common techniques used by the winning solutions and highlight the current best practices in large-scale graph ML. Finally, we describe how we have updated the datasets after the KDD Cup to further facilitate research advances. The OGB-LSC datasets, baseline code, and all the information about the KDD Cup are available at https://ogb.stanford.edu/docs/lsc/ .

Efficient distributed training serves as a powerful catalyst and an essential foundation for the development of large-scale neural networks. In distributed training scenarios, various pipeline parallelism methods are cleverly designed and widely employed. In this paper, we propose ZeroPP, a highly efficient and flexible pipeline parallelism method that trades off pipeline bubbles, memory usage, and communication through adaptive scheduling units. ZeroPP achieves minimal pipeline bubbles by carefully staggering the computation tasks of forward, input gradient, and weight gradient within a scheduling unit. Additionally, ZeroPP optimizes the combination of pipeline parallelism and fully sharded data parallelism using a blockwise schedule. We conduct experiments with popular GPT-style models and observe up to a 30% increase in throughput compared to the state-of-the-art breath-first pipeline parallelism. Besides, our evaluation also demonstrates up to a 68% increase in throughput and a 10% reduction in memory consumption compared to the memory-efficient 1F1B method.

MPI derived datatypes are an abstraction that simplifies handling of non-contiguous data in MPI applications. These datatypes are recursively constructed at runtime from primitive Named Types defined in the MPI standard. More recently, the development and deployment of CUDA-aware MPI implementations has encouraged the transition of distributed high-performance MPI codes to use GPUs. Such implementations allow MPI functions to directly operate on GPU buffers, easing integration of GPU compute into MPI codes. This work first presents a novel datatype handling strategy for nested strided datatypes, which finds a middle ground between the specialized or generic handling in prior work. This work also shows that the performance characteristics of non-contiguous data handling can be modeled with empirical system measurements, and used to transparently improve MPI_Send/Recv latency. Finally, despite substantial attention to non-contiguous GPU data and CUDA-aware MPI implementations, good performance cannot be taken for granted. This work demonstrates its contributions through an MPI interposer library, TEMPI. TEMPI can be used with existing MPI deployments without system or application changes. Ultimately, the interposed-library model of this work demonstrates MPI_Pack speedup of up to 242000x and MPI_Send speedup of up to 59000x compared to the MPI implementation deployed on a leadership-class supercomputer. This yields speedup of more than 917x in a 3D halo exchange with 3072 processes.

Recently, there has been a surge of interest in employing neural networks for graph generation, a fundamental statistical learning problem with critical applications like molecule design and community analysis. However, most approaches encounter significant limitations when generating large-scale graphs. This is due to their requirement to output the full adjacency matrices whose size grows quadratically with the number of nodes. In response to this challenge, we introduce a new, simple, and scalable graph representation named gap encoded edge list (GEEL) that has a small representation size that aligns with the number of edges. In addition, GEEL significantly reduces the vocabulary size by incorporating the gap encoding and bandwidth restriction schemes. GEEL can be autoregressively generated with the incorporation of node positional encoding, and we further extend GEEL to deal with attributed graphs by designing a new grammar. Our findings reveal that the adoption of this compact representation not only enhances scalability but also bolsters performance by simplifying the graph generation process. We conduct a comprehensive evaluation across ten non-attributed and two molecular graph generation tasks, demonstrating the effectiveness of GEEL.

Graph measures that express closeness or distance between nodes can be employed for graph nodes clustering using metric clustering algorithms. There are numerous measures applicable to this task, and which one performs better is an open question. We study the performance of 25 graph measures on generated graphs with different parameters. While usually measure comparisons are limited to general measure ranking on a particular dataset, we aim to explore the performance of various measures depending on graph features. Using an LFR graph generator, we create a dataset of 11780 graphs covering the whole LFR parameter space. For each graph, we assess the quality of clustering with k-means algorithm for each considered measure. Based on this, we determine the best measure for each area of the parameter space. We find that the parameter space consists of distinct zones where one particular measure is the best. We analyze the geometry of the resulting zones and describe it with simple criteria. Given particular graph parameters, this allows us to recommend a particular measure to use for clustering.

Distribution matching is central to many vision and graphics tasks, where the widely used Wasserstein distance is too costly to compute for high dimensional distributions. The Sliced Wasserstein Distance (SWD) offers a scalable alternative, yet its Monte Carlo estimator suffers from high variance, resulting in noisy gradients and slow convergence. We introduce Reservoir SWD (ReSWD), which integrates Weighted Reservoir Sampling into SWD to adaptively retain informative projection directions in optimization steps, resulting in stable gradients while remaining unbiased. Experiments on synthetic benchmarks and real-world tasks such as color correction and diffusion guidance show that ReSWD consistently outperforms standard SWD and other variance reduction baselines. Project page: https://reservoirswd.github.io/

We introduce a new -- currently 42 gigabyte -- ``living'' dataset of phone images of dog feces, annotated with manually drawn or AI-assisted polygon labels. There are 6k full resolution images and 4k detailed polygon annotations. The collection and annotation of images started in late 2020 and the dataset grows by roughly 1GB a month. We train VIT and MaskRCNN baseline models to explore the difficulty of the dataset. The best model achieves a pixelwise average precision of 0.858 on a 691-image validation set and 0.847 on a small independently captured 30-image contributor test set. The most recent snapshot of dataset is made publicly available through three different distribution methods: one centralized (Girder) and two decentralized (IPFS and BitTorrent). We study of the trade-offs between distribution methods and discuss the feasibility of each with respect to reliably sharing open scientific data. The code to reproduce the experiments is hosted on GitHub, and the data is published under the Creative Commons Attribution 4.0 International license. Model weights are made publicly available with the dataset. Experimental hardware, time, energy, and emissions are quantified.

This report presents the Prime Collective Communications Library (PCCL), a novel fault-tolerant collective communication library designed for distributed ML workloads over the public internet. PCCL introduces a new programming model that enables dynamic peer joining and failure recovery. The library implements efficient collective operations like all-reduce while providing robust fault tolerance mechanisms that allow the system to continue operating even when peers fail or join during ongoing operations. We demonstrate that PCCL's design enables practical solutions to dynamic membership challenges in workloads with repeated operations and deterministic state advancement. Our implementation passes extensive stress tests across all major operating systems, showing reliable operation even under rapid peer churn and concurrent collective operations. By dispatching to multiple connections, we can efficiently utilize cross-continental long-fat-pipe TCP WAN links, in our experiments achieving up to 45 Gbit/s of bandwidth utilization across Europe and 25 Gbit/s across North America and Europe. PCCL's architecture enables easy implementation of distributed low-communication optimization strategies like DiLoCo, which significantly reduce communication frequency. Combined with quantization, this leads to a significant reduction in the bandwidth required for distributed training workloads. PCCL also allows for concurrent collective operations, which enables optimization strategies like async DiLoCo, which can completely hide communication overhead by implementing one-step delayed parameter updates. PCCL can facilitate exact bit-parity of the shared state across peers in all cases induced by graceful or abrupt peer churn. While PCCL exposes a C99 API, Python bindings are available which are compatible with PyTorch alongside FSDP. PCCL is available under the open source MIT license.

Graph databases are gaining momentum thanks to the flexibility and expressiveness of their data models and query languages. A standardization activity driven by the ISO/IEC standardization body is also ongoing and has already conducted to the specification of the first versions of two standard graph query languages, namely SQL/PGQ and GQL, respectively in 2023 and 2024. Apart from the standards, there exists a panoply of concrete graph query languages provided by current graph database systems, each offering different query features. A common limitation of current graph query engines is the absence of an algebraic approach for evaluating path queries. To address this, we introduce an abstract algebra for evaluating path queries, allowing paths to be treated as first-class entities within the query processing pipeline. We demonstrate that our algebra can express a core fragment of path queries defined in GQL and SQL/PGQ, thereby serving as a formal framework for studying both standards and supporting their implementation in current graph database systems. We also show that evaluation trees for path algebra expressions can function as logical plans for evaluating path queries and enable the application of query optimization techniques. Our algebraic framework has the potential to act as a lingua franca for path query evaluation, enabling different implementations to be expressed and compared.

This is the third paper of the CayleyPy project applying artificial intelligence to problems in group theory. We announce the first public release of CayleyPy, an open source Python library for computations with Cayley and Schreier graphs. Compared with systems such as GAP and Sage, CayleyPy handles much larger graphs and performs several orders of magnitude faster. Using CayleyPy we obtained about 200 new conjectures on Cayley and Schreier graphs, focused on diameters and growth. For many Cayley graphs of symmetric groups Sn we observe quasi polynomial diameter formulas: a small set of quadratic or linear polynomials indexed by n mod s. We conjecture that this is a general phenomenon, giving efficient diameter computation despite the problem being NP hard. We propose a refinement of the Babai type conjecture on diameters of Sn: n^2/2 + 4n upper bounds in the undirected case, compared to previous O(n^2) bounds. We also provide explicit generator families, related to involutions in a square with whiskers pattern, conjectured to maximize the diameter; search confirms this for all n up to 15. We further conjecture an answer to a question posed by V M Glushkov in 1968 on directed Cayley graphs generated by a cyclic shift and a transposition. For nilpotent groups we conjecture an improvement of J S Ellenberg's results on upper unitriangular matrices over Z/pZ, showing linear dependence of diameter on p. Moreover. Some conjectures are LLM friendly, naturally stated as sorting problems verifiable by algorithms or Python code. To benchmark path finding we created more than 10 Kaggle datasets. CayleyPy works with arbitrary permutation or matrix groups and includes over 100 predefined generators. Our growth computation code outperforms GAP and Sage up to 1000 times in speed and size.

Mixture-of-Experts (MoE) has emerged as a promising sparse paradigm for scaling up pre-trained models (PTMs) with remarkable cost-effectiveness. However, the dynamic nature of MoE leads to rapid fluctuations and imbalances in expert loads during training, resulting in significant straggler effects that hinder training performance when using expert parallelism (EP). Existing MoE training systems attempt to mitigate these effects through expert rearrangement strategies, but they face challenges in terms of memory efficiency and timeliness of rearrangement. This paper proposes Fully Sharded Sparse Data Parallelism (FSSDP), an innovative approach that tackles the parallelization of MoE layers and potential straggler effects caused by imbalanced expert loads from a new perspective. FSSDP fully shards the parameters and optimizer states of MoE layers across devices and sparsely materializes MoE parameters from scratch in each iteration with two sparse collectives SparseAllGather and SparseReduceScatter. We build Hecate, a high-performance MoE training system that incorporates FSSDP to fully unlock its potential. Hecate introduces heterogeneous sharding, sparse materialization, and re-materialization techniques to construct flexible and efficient expert placements with low memory and communication overhead. Our evaluation reveals that Hecate achieves up to 3.54x speedup compared over state-of-the-art MoE training systems and consistently demonstrates improvements across model architectures and hardware environments.

Network robustness plays a crucial role in our understanding of complex interconnected systems such as transportation, communication, and computer networks. While significant research has been conducted in the area of network robustness, no comprehensive open-source toolbox currently exists to assist researchers and practitioners in this important topic. This lack of available tools hinders reproducibility and examination of existing work, development of new research, and dissemination of new ideas. We contribute TIGER, an open-sourced Python toolbox to address these challenges. TIGER contains 22 graph robustness measures with both original and fast approximate versions; 17 failure and attack strategies; 15 heuristic and optimization-based defense techniques; and 4 simulation tools. By democratizing the tools required to study network robustness, our goal is to assist researchers and practitioners in analyzing their own networks; and facilitate the development of new research in the field. TIGER has been integrated into the Nvidia Data Science Teaching Kit available to educators across the world; and Georgia Tech's Data and Visual Analytics class with over 1,000 students. TIGER is open sourced at: https://github.com/safreita1/TIGER

The digitization of complex technical systems, such as Piping and Instrumentation Diagrams (P&IDs), is crucial for efficient maintenance and operation of complex systems in hydraulic and process engineering. Previous approaches often rely on separate modules that analyze diagram elements individually, neglecting the diagram's overall structure. We address this limitation by proposing a novel approach that utilizes the Relationformer, a state-of-the-art deep learning architecture, to extract graphs from P&IDs. Our method leverages the ability of the Relationformer to simultaneously detect objects and their relationships in images, making it suitable for the task of graph extraction from engineering diagrams. We apply our proposed approach to both real-world and synthetically created P&ID datasets, and evaluate its effectiveness by comparing it with a modular digitization approach based on recent literature. We present PID2Graph, the first publicly accessible P&ID dataset featuring comprehensive labels for the graph structure, including symbols, nodes and their connections that is used for evaluation. To understand the effect of patching and stitching of both of the approaches, we compare values before and after merging the patches. For the real-world data, the Relationformer achieves convincing results, outperforming the modular digitization approach for edge detection by more than 25%. Our work provides a comprehensive framework for assessing the performance of P&ID digitization methods and opens up new avenues for research in this area using transformer architectures. The P&ID dataset used for evaluation will be published and publicly available upon acceptance of the paper.

Image generation models have achieved widespread applications. As an instance, the TarFlow model combines the transformer architecture with Normalizing Flow models, achieving state-of-the-art results on multiple benchmarks. However, due to the causal form of attention requiring sequential computation, TarFlow's sampling process is extremely slow. In this paper, we demonstrate that through a series of optimization strategies, TarFlow sampling can be greatly accelerated by using the Gauss-Seidel-Jacobi (abbreviated as GS-Jacobi) iteration method. Specifically, we find that blocks in the TarFlow model have varying importance: a small number of blocks play a major role in image generation tasks, while other blocks contribute relatively little; some blocks are sensitive to initial values and prone to numerical overflow, while others are relatively robust. Based on these two characteristics, we propose the Convergence Ranking Metric (CRM) and the Initial Guessing Metric (IGM): CRM is used to identify whether a TarFlow block is "simple" (converges in few iterations) or "tough" (requires more iterations); IGM is used to evaluate whether the initial value of the iteration is good. Experiments on four TarFlow models demonstrate that GS-Jacobi sampling can significantly enhance sampling efficiency while maintaining the quality of generated images (measured by FID), achieving speed-ups of 4.53x in Img128cond, 5.32x in AFHQ, 2.96x in Img64uncond, and 2.51x in Img64cond without degrading FID scores or sample quality. Code and checkpoints are accessible on https://github.com/encoreus/GS-Jacobi_for_TarFlow

We present a distributed data structure, which we call the rainbow skip graph. To our knowledge, this is the first peer-to-peer data structure that simultaneously achieves high fault tolerance, constant-sized nodes, and fast update and query times for ordered data. It is a non-trivial adaptation of the SkipNet/skip-graph structures of Harvey et al. and Aspnes and Shah, so as to provide fault-tolerance as these structures do, but to do so using constant-sized nodes, as in the family tree structure of Zatloukal and Harvey. It supports successor queries on a set of n items using O(log n) messages with high probability, an improvement over the expected O(log n) messages of the family tree.

Machine learning is a general-purpose technology holding promises for many interdisciplinary research problems. However, significant barriers exist in crossing disciplinary boundaries when most machine learning tools are developed in different areas separately. We present Pykale - a Python library for knowledge-aware machine learning on graphs, images, texts, and videos to enable and accelerate interdisciplinary research. We formulate new green machine learning guidelines based on standard software engineering practices and propose a novel pipeline-based application programming interface (API). PyKale focuses on leveraging knowledge from multiple sources for accurate and interpretable prediction, thus supporting multimodal learning and transfer learning (particularly domain adaptation) with latest deep learning and dimensionality reduction models. We build PyKale on PyTorch and leverage the rich PyTorch ecosystem. Our pipeline-based API design enforces standardization and minimalism, embracing green machine learning concepts via reducing repetitions and redundancy, reusing existing resources, and recycling learning models across areas. We demonstrate its interdisciplinary nature via examples in bioinformatics, knowledge graph, image/video recognition, and medical imaging.

Normalising Flows are non-parametric statistical models characterised by their dual capabilities of density estimation and generation. This duality requires an inherently invertible architecture. However, the requirement of invertibility imposes constraints on their expressiveness, necessitating a large number of parameters and innovative architectural designs to achieve good results. Whilst flow-based models predominantly rely on neural-network-based transformations for expressive designs, alternative transformation methods have received limited attention. In this work, we present Ferumal flow, a novel kernelised normalising flow paradigm that integrates kernels into the framework. Our results demonstrate that a kernelised flow can yield competitive or superior results compared to neural network-based flows whilst maintaining parameter efficiency. Kernelised flows excel especially in the low-data regime, enabling flexible non-parametric density estimation in applications with sparse data availability.

Large language models have led to state-of-the-art accuracies across a range of tasks. However, training these models efficiently is challenging for two reasons: a) GPU memory capacity is limited, making it impossible to fit large models on even a multi-GPU server, and b) the number of compute operations required to train these models can result in unrealistically long training times. Consequently, new methods of model parallelism such as tensor and pipeline parallelism have been proposed. Unfortunately, naive usage of these methods leads to fundamental scaling issues at thousands of GPUs, e.g., due to expensive cross-node communication or devices spending significant time waiting on other devices to make progress. In this paper, we show how different types of parallelism methods (tensor, pipeline, and data parallelism) can be composed to scale to thousands of GPUs and models with trillions of parameters. We survey techniques for pipeline parallelism and propose a novel interleaved pipeline parallelism schedule that can improve throughput by 10+% with memory footprint comparable to existing approaches. We quantitatively study the trade-offs between tensor, pipeline, and data parallelism, and provide intuition as to how to configure distributed training of a large model. Our approach allows us to perform training iterations on a model with 1 trillion parameters at 502 petaFLOP/s on 3072 GPUs with achieved per-GPU throughput of 52% of theoretical peak. Our code is open sourced at https://github.com/nvidia/megatron-lm.

Foundation Models (FMs) serve as a general class for the development of artificial intelligence systems, offering broad potential for generalization across a spectrum of downstream tasks. Despite extensive research into self-supervised learning as the cornerstone of FMs, several outstanding issues persist in Graph Foundation Models that rely on graph self-supervised learning, namely: 1) Homogenization. The extent of generalization capability on downstream tasks remains unclear. 2) Scalability. It is unknown how effectively these models can scale to large datasets. 3) Efficiency. The training time and memory usage of these models require evaluation. 4) Training Stop Criteria. Determining the optimal stopping strategy for pre-training across multiple tasks to maximize performance on downstream tasks. To address these questions, we have constructed a rigorous benchmark that thoroughly analyzes and studies the generalization and scalability of self-supervised Graph Neural Network (GNN) models. Regarding generalization, we have implemented and compared the performance of various self-supervised GNN models, trained to generate node representations, across tasks such as node classification, link prediction, and node clustering. For scalability, we have compared the performance of various models after training using full-batch and mini-batch strategies. Additionally, we have assessed the training efficiency of these models by conducting experiments to test their GPU memory usage and throughput. Through these experiments, we aim to provide insights to motivate future research. The code for this benchmark is publicly available at https://github.com/NYUSHCS/GraphFM.

Diffusion models have emerged as a promising alternative to autoregressive models in modeling discrete categorical data. Yet diffusion models that directly work on discrete data space do not fully exploit the power of iterative refinement, as the signals are lost during the transition between discrete states. Existing continuous diffusion models for discrete data have limited performance compared to discrete approaches, and the unclear link between them restricts the development of diffusion models for discrete data. In this work, we propose a continuous diffusion model for language modeling that incorporates the geometry of the underlying categorical distribution. We establish a connection between the discrete diffusion and continuous flow on the statistical manifold, and building on the analogy, we introduce a simple design for the diffusion process that generalizes previous discrete diffusion models. We further propose a simulation-free training framework based on radial symmetry and a simple technique to address the high dimensionality of the manifold. Comprehensive experiments on language modeling benchmarks and other modalities show that our method outperforms existing discrete diffusion models and approaches the performance of autoregressive models. Codes available at https://github.com/harryjo97/RDLM{https://github.com/harryjo97/RDLM}.

Safety-critical applications such as autonomous vehicles and social robots require fast computation and accurate probability density estimation on trajectory prediction. To address both requirements, this paper presents a new normalizing flow-based trajectory prediction model named FlowChain. FlowChain is a stack of conditional continuously-indexed flows (CIFs) that are expressive and allow analytical probability density computation. This analytical computation is faster than the generative models that need additional approximations such as kernel density estimation. Moreover, FlowChain is more accurate than the Gaussian mixture-based models due to fewer assumptions on the estimated density. FlowChain also allows a rapid update of estimated probability densities. This update is achieved by adopting the newest observed position and reusing the flow transformations and its log-det-jacobians that represent the motion trend. This update is completed in less than one millisecond because this reuse greatly omits the computational cost. Experimental results showed our FlowChain achieved state-of-the-art trajectory prediction accuracy compared to previous methods. Furthermore, our FlowChain demonstrated superiority in the accuracy and speed of density estimation. Our code is available at https://github.com/meaten/FlowChain-ICCV2023

Apache Spark is a popular open-source platform for large-scale data processing that is well-suited for iterative machine learning tasks. In this paper we present MLlib, Spark's open-source distributed machine learning library. MLlib provides efficient functionality for a wide range of learning settings and includes several underlying statistical, optimization, and linear algebra primitives. Shipped with Spark, MLlib supports several languages and provides a high-level API that leverages Spark's rich ecosystem to simplify the development of end-to-end machine learning pipelines. MLlib has experienced a rapid growth due to its vibrant open-source community of over 140 contributors, and includes extensive documentation to support further growth and to let users quickly get up to speed.

Mining cohesive subgraphs in attributed graphs is an essential problem in the domain of graph data analysis. The integration of fairness considerations significantly fuels interest in models and algorithms for mining fairness-aware cohesive subgraphs. Notably, the relative fair clique emerges as a robust model, ensuring not only comprehensive attribute coverage but also greater flexibility in distributing attribute vertices. Motivated by the strength of this model, we for the first time pioneer an investigation into the identification of the maximum relative fair clique in large-scale graphs. We introduce a novel concept of colorful support, which serves as the foundation for two innovative graph reduction techniques. These techniques effectively narrow the graph's size by iteratively removing edges that do not belong to relative fair cliques. Furthermore, a series of upper bounds of the maximum relative fair clique size is proposed by incorporating consideration of vertex attributes and colors. The pruning techniques derived from these upper bounds can significantly trim unnecessary search space during the branch-and-bound procedure. Adding to this, we present a heuristic algorithm with a linear time complexity, employing both a degree-based greedy strategy and a colored degree-based greedy strategy to identify a larger relative fair clique. This heuristic algorithm can serve a dual purpose by aiding in branch pruning, thereby enhancing overall search efficiency. Extensive experiments conducted on six real-life datasets demonstrate the efficiency, scalability, and effectiveness of our algorithms.

We present Synergy Aware Forgetting Ensemble (SAFE), a method to adapt large models on a diverse collection of data while minimizing the expected cost to remove the influence of training samples from the trained model. This process, also known as selective forgetting or unlearning, is often conducted by partitioning a dataset into shards, training fully independent models on each, then ensembling the resulting models. Increasing the number of shards reduces the expected cost to forget but at the same time it increases inference cost and reduces the final accuracy of the model since synergistic information between samples is lost during the independent model training. Rather than treating each shard as independent, SAFE introduces the notion of a shard graph, which allows incorporating limited information from other shards during training, trading off a modest increase in expected forgetting cost with a significant increase in accuracy, all while still attaining complete removal of residual influence after forgetting. SAFE uses a lightweight system of adapters which can be trained while reusing most of the computations. This allows SAFE to be trained on shards an order-of-magnitude smaller than current state-of-the-art methods (thus reducing the forgetting costs) while also maintaining high accuracy, as we demonstrate empirically on fine-grained computer vision datasets.

Simulation-free methods for training continuous-time generative models construct probability paths that go between noise distributions and individual data samples. Recent works, such as Flow Matching, derived paths that are optimal for each data sample. However, these algorithms rely on independent data and noise samples, and do not exploit underlying structure in the data distribution for constructing probability paths. We propose Multisample Flow Matching, a more general framework that uses non-trivial couplings between data and noise samples while satisfying the correct marginal constraints. At very small overhead costs, this generalization allows us to (i) reduce gradient variance during training, (ii) obtain straighter flows for the learned vector field, which allows us to generate high-quality samples using fewer function evaluations, and (iii) obtain transport maps with lower cost in high dimensions, which has applications beyond generative modeling. Importantly, we do so in a completely simulation-free manner with a simple minimization objective. We show that our proposed methods improve sample consistency on downsampled ImageNet data sets, and lead to better low-cost sample generation.

We introduce the Series-Parallel Workflow Decomposition (SP\-WD) heuristic algorithm for the Workflow Scheduling Problem (WSP) decomposition. We demonstrate that the SPWD algorithm facilitates the scheduling of large WSP instances with the hybrid D-Wave Constrained Quadratic Model solver, enabling the scheduling of instances that would otherwise exceed its capacity limitations. We also describe the accompanying execution environment used to obtain the results of the experiments with real-life workflow instances available in the WfCommons standardization initiative repository.

Code classification is a difficult issue in program understanding and automatic coding. Due to the elusive syntax and complicated semantics in programs, most existing studies use techniques based on abstract syntax tree (AST) and graph neural network (GNN) to create code representations for code classification. These techniques utilize the structure and semantic information of the code, but they only take into account pairwise associations and neglect the high-order correlations that already exist between nodes in the AST, which may result in the loss of code structural information. On the other hand, while a general hypergraph can encode high-order data correlations, it is homogeneous and undirected which will result in a lack of semantic and structural information such as node types, edge types, and directions between child nodes and parent nodes when modeling AST. In this study, we propose to represent AST as a heterogeneous directed hypergraph (HDHG) and process the graph by heterogeneous directed hypergraph neural network (HDHGN) for code classification. Our method improves code understanding and can represent high-order data correlations beyond paired interactions. We assess heterogeneous directed hypergraph neural network (HDHGN) on public datasets of Python and Java programs. Our method outperforms previous AST-based and GNN-based methods, which demonstrates the capability of our model.

Cloud platforms are increasingly relied upon to host diverse, resource-intensive workloads due to their scalability, flexibility, and cost-efficiency. In multi-tenant cloud environments, virtual machines are consolidated on shared physical servers to improve resource utilization. While virtualization guarantees resource partitioning for CPU, memory, and storage, it cannot ensure performance isolation. Competition for shared resources such as last-level cache, memory bandwidth, and network interfaces often leads to severe performance degradation. Existing management techniques, including VM scheduling and resource provisioning, require accurate performance prediction to mitigate interference. However, this remains challenging in public clouds due to the black-box nature of VMs and the highly dynamic nature of workloads. To address these limitations, we propose CloudFormer, a dual-branch Transformer-based model designed to predict VM performance degradation in black-box environments. CloudFormer jointly models temporal dynamics and system-level interactions, leveraging 206 system metrics at one-second resolution across both static and dynamic scenarios. This design enables the model to capture transient interference effects and adapt to varying workload conditions without scenario-specific tuning. Complementing the methodology, we provide a fine-grained dataset that significantly expands the temporal resolution and metric diversity compared to existing benchmarks. Experimental results demonstrate that CloudFormer consistently outperforms state-of-the-art baselines across multiple evaluation metrics, achieving robust generalization across diverse and previously unseen workloads. Notably, CloudFormer attains a mean absolute error (MAE) of just 7.8%, representing a substantial improvement in predictive accuracy and outperforming existing methods at least by 28%.

Retrieval-augmented generation (RAG) is a powerful technique that enhances downstream task execution by retrieving additional information, such as knowledge, skills, and tools from external sources. Graph, by its intrinsic "nodes connected by edges" nature, encodes massive heterogeneous and relational information, making it a golden resource for RAG in tremendous real-world applications. As a result, we have recently witnessed increasing attention on equipping RAG with Graph, i.e., GraphRAG. However, unlike conventional RAG, where the retriever, generator, and external data sources can be uniformly designed in the neural-embedding space, the uniqueness of graph-structured data, such as diverse-formatted and domain-specific relational knowledge, poses unique and significant challenges when designing GraphRAG for different domains. Given the broad applicability, the associated design challenges, and the recent surge in GraphRAG, a systematic and up-to-date survey of its key concepts and techniques is urgently desired. Following this motivation, we present a comprehensive and up-to-date survey on GraphRAG. Our survey first proposes a holistic GraphRAG framework by defining its key components, including query processor, retriever, organizer, generator, and data source. Furthermore, recognizing that graphs in different domains exhibit distinct relational patterns and require dedicated designs, we review GraphRAG techniques uniquely tailored to each domain. Finally, we discuss research challenges and brainstorm directions to inspire cross-disciplinary opportunities. Our survey repository is publicly maintained at https://github.com/Graph-RAG/GraphRAG/.

We propose a methodology that allows communication with Piping and Instrumentation Diagrams (P&IDs) using natural language. In particular, we represent P&IDs through the DEXPI data model as labeled property graphs and integrate them with Large Language Models (LLMs). The approach consists of three main parts: 1) P&IDs are cast into a graph representation from the DEXPI format using our pyDEXPI Python package. 2) A tool for generating P&ID knowledge graphs from pyDEXPI. 3) Integration of the P&ID knowledge graph to LLMs using graph-based retrieval augmented generation (graph-RAG). This approach allows users to communicate with P&IDs using natural language. It extends LLM's ability to retrieve contextual data from P&IDs and mitigate hallucinations. Leveraging the LLM's large corpus, the model is also able to interpret process information in PIDs, which could help engineers in their daily tasks. In the future, this work will also open up opportunities in the context of other generative Artificial Intelligence (genAI) solutions on P&IDs, and AI-assisted HAZOP studies.

Vision-language models (VLMs) are trained for thousands of GPU hours on carefully curated web datasets. In recent times, data curation has gained prominence with several works developing strategies to retain 'high-quality' subsets of 'raw' scraped data. For instance, the LAION public dataset retained only 10% of the total crawled data. However, these strategies are typically developed agnostic of the available compute for training. In this paper, we first demonstrate that making filtering decisions independent of training compute is often suboptimal: the limited high-quality data rapidly loses its utility when repeated, eventually requiring the inclusion of 'unseen' but 'lower-quality' data. To address this quality-quantity tradeoff (QQT), we introduce neural scaling laws that account for the non-homogeneous nature of web data, an angle ignored in existing literature. Our scaling laws (i) characterize the differing 'utility' of various quality subsets of web data; (ii) account for how utility diminishes for a data point at its 'nth' repetition; and (iii) formulate the mutual interaction of various data pools when combined, enabling the estimation of model performance on a combination of multiple data pools without ever jointly training on them. Our key message is that data curation cannot be agnostic of the total compute that a model will be trained for. Our scaling laws allow us to curate the best possible pool for achieving top performance on Datacomp at various compute budgets, carving out a pareto-frontier for data curation. Code is available at https://github.com/locuslab/scaling_laws_data_filtering.

Recent studies have revealed that self-sustaining cascading failures in distributed systems frequently lead to widespread outages, which are challenging to contain and recover from. Existing failure detection techniques struggle to expose such failures prior to deployment, as they typically require a complex combination of specific conditions to be triggered. This challenge stems from the inherent nature of cascading failures, as they typically involve a sequence of fault propagations, each activated by distinct conditions. This paper presents CSnake, a fault injection framework to expose self-sustaining cascading failures in distributed systems. CSnake uses the novel idea of causal stitching, which causally links multiple single-fault injections in different tests to simulate complex fault propagation chains. To identify these chains, CSnake designs a counterfactual causality analysis of fault propagations - fault causality analysis (FCA): FCA compares the execution trace of a fault injection run with its corresponding profile run (i.e., same test w/o the injection) and identifies any additional faults triggered, which are considered to have a causal relationship with the injected fault. To address the large search space of fault and workload combinations, CSnake employs a three-phase allocation protocol of test budget that prioritizes faults with unique and diverse causal consequences, increasing the likelihood of uncovering conditional fault propagations. Furthermore, to avoid incorrectly connecting fault propagations from workloads with incompatible conditions, CSnake performs a local compatibility check that approximately checks the compatibility of the path constraints associated with connected fault propagations with low overhead. CSnake detected 15 bugs that cause self-sustaining cascading failures in five systems, five of which have been confirmed with two fixed.

Personalized PageRank (PPR) has enormous applications, such as link prediction and recommendation systems for social networks, which often require the fully PPR to be known. Besides, most of real-life graphs are edge-weighted, e.g., the interaction between users on the Facebook network. However, it is computationally difficult to compute the fully PPR, especially on large graphs, not to mention that most existing approaches do not consider the weights of edges. In particular, the existing approach cannot handle graphs with billion edges on a moderate-size cluster. To address this problem, this paper presents a novel study on the computation of fully edge-weighted PPR on large graphs using the distributed computing framework. Specifically, we employ the Monte Carlo approximation that performs a large number of random walks from each node of the graph, and exploits the parallel pipeline framework to reduce the overall running time of the fully PPR. Based on that, we develop several optimization techniques which (i) alleviate the issue of large nodes that could explode the memory space, (ii) pre-compute short walks for small nodes that largely speedup the computation of random walks, and (iii) optimize the amount of random walks to compute in each pipeline that significantly reduces the overhead. With extensive experiments on a variety of real-life graph datasets, we demonstrate that our solution is several orders of magnitude faster than the state-of-the-arts, and meanwhile, largely outperforms the baseline algorithms in terms of accuracy.

Discrete diffusion or flow models could enable faster and more controllable sequence generation than autoregressive models. We show that na\"ive linear flow matching on the simplex is insufficient toward this goal since it suffers from discontinuities in the training target and further pathologies. To overcome this, we develop Dirichlet flow matching on the simplex based on mixtures of Dirichlet distributions as probability paths. In this framework, we derive a connection between the mixtures' scores and the flow's vector field that allows for classifier and classifier-free guidance. Further, we provide distilled Dirichlet flow matching, which enables one-step sequence generation with minimal performance hits, resulting in O(L) speedups compared to autoregressive models. On complex DNA sequence generation tasks, we demonstrate superior performance compared to all baselines in distributional metrics and in achieving desired design targets for generated sequences. Finally, we show that our classifier-free guidance approach improves unconditional generation and is effective for generating DNA that satisfies design targets. Code is available at https://github.com/HannesStark/dirichlet-flow-matching.

The enormous success of diffusion models in text-to-image synthesis has made them promising candidates for the next generation of end-user applications for image generation and editing. Previous works have focused on improving the usability of diffusion models by reducing the inference time or increasing user interactivity by allowing new, fine-grained controls such as region-based text prompts. However, we empirically find that integrating both branches of works is nontrivial, limiting the potential of diffusion models. To solve this incompatibility, we present StreamMultiDiffusion, the first real-time region-based text-to-image generation framework. By stabilizing fast inference techniques and restructuring the model into a newly proposed multi-prompt stream batch architecture, we achieve times 10 faster panorama generation than existing solutions, and the generation speed of 1.57 FPS in region-based text-to-image synthesis on a single RTX 2080 Ti GPU. Our solution opens up a new paradigm for interactive image generation named semantic palette, where high-quality images are generated in real-time from given multiple hand-drawn regions, encoding prescribed semantic meanings (e.g., eagle, girl). Our code and demo application are available at https://github.com/ironjr/StreamMultiDiffusion.

We present Submatrix-wise Vector Embedding Learner (Swivel), a method for generating low-dimensional feature embeddings from a feature co-occurrence matrix. Swivel performs approximate factorization of the point-wise mutual information matrix via stochastic gradient descent. It uses a piecewise loss with special handling for unobserved co-occurrences, and thus makes use of all the information in the matrix. While this requires computation proportional to the size of the entire matrix, we make use of vectorized multiplication to process thousands of rows and columns at once to compute millions of predicted values. Furthermore, we partition the matrix into shards in order to parallelize the computation across many nodes. This approach results in more accurate embeddings than can be achieved with methods that consider only observed co-occurrences, and can scale to much larger corpora than can be handled with sampling methods.

In this paper, we propose a dimensionless anomaly detection method for multivariate streams. Our method is independent of the unit of measurement for the different stream channels, therefore dimensionless. We first propose the variance norm, a generalisation of Mahalanobis distance to handle infinite-dimensional feature space and singular empirical covariance matrix rigorously. We then combine the variance norm with the path signature, an infinite collection of iterated integrals that provide global features of streams, to propose SigMahaKNN, a method for anomaly detection on (multivariate) streams. We show that SigMahaKNN is invariant to stream reparametrisation, stream concatenation and has a graded discrimination power depending on the truncation level of the path signature. We implement SigMahaKNN as an open-source software, and perform extensive numerical experiments, showing significantly improved anomaly detection on streams compared to isolation forest and local outlier factors in applications ranging from language analysis, hand-writing analysis, ship movement paths analysis and univariate time-series analysis.

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling heterogeneous interactions, two fundamental challenges persist: noisy data significantly compromising embedding quality and learning performance, and existing methods' inability to capture intricate semantic transitions among heterogeneous relations, which impacts downstream predictions. To address these fundamental issues, we present the Heterogeneous Graph Diffusion Model (DiffGraph), a pioneering framework that introduces an innovative cross-view denoising strategy. This advanced approach transforms auxiliary heterogeneous data into target semantic spaces, enabling precise distillation of task-relevant information. At its core, DiffGraph features a sophisticated latent heterogeneous graph diffusion mechanism, implementing a novel forward and backward diffusion process for superior noise management. This methodology achieves simultaneous heterogeneous graph denoising and cross-type transition, while significantly simplifying graph generation through its latent-space diffusion capabilities. Through rigorous experimental validation on both public and industrial datasets, we demonstrate that DiffGraph consistently surpasses existing methods in link prediction and node classification tasks, establishing new benchmarks for robustness and efficiency in heterogeneous graph processing. The model implementation is publicly available at: https://github.com/HKUDS/DiffGraph.

Node clustering is a powerful tool in the analysis of networks. We introduce a graph neural network framework, named DIGRAC, to obtain node embeddings for directed networks in a self-supervised manner, including a novel probabilistic imbalance loss, which can be used for network clustering. Here, we propose directed flow imbalance measures, which are tightly related to directionality, to reveal clusters in the network even when there is no density difference between clusters. In contrast to standard approaches in the literature, in this paper, directionality is not treated as a nuisance, but rather contains the main signal. DIGRAC optimizes directed flow imbalance for clustering without requiring label supervision, unlike existing graph neural network methods, and can naturally incorporate node features, unlike existing spectral methods. Extensive experimental results on synthetic data, in the form of directed stochastic block models, and real-world data at different scales, demonstrate that our method, based on flow imbalance, attains state-of-the-art results on directed graph clustering when compared against 10 state-of-the-art methods from the literature, for a wide range of noise and sparsity levels, graph structures, and topologies, and even outperforms supervised methods.

We present Paris, the first publicly released diffusion model pre-trained entirely through decentralized computation. Paris demonstrates that high-quality text-to-image generation can be achieved without centrally coordinated infrastructure. Paris is open for research and commercial use. Paris required implementing our Distributed Diffusion Training framework from scratch. The model consists of 8 expert diffusion models (129M-605M parameters each) trained in complete isolation with no gradient, parameter, or intermediate activation synchronization. Rather than requiring synchronized gradient updates across thousands of GPUs, we partition data into semantically coherent clusters where each expert independently optimizes its subset while collectively approximating the full distribution. A lightweight transformer router dynamically selects appropriate experts at inference, achieving generation quality comparable to centrally coordinated baselines. Eliminating synchronization enables training on heterogeneous hardware without specialized interconnects. Empirical validation confirms that Paris's decentralized training maintains generation quality while removing the dedicated GPU cluster requirement for large-scale diffusion models. Paris achieves this using 14times less training data and 16times less compute than the prior decentralized baseline.

Flow matching models have emerged as a powerful method for generative modeling on domains like images or videos, and even on irregular or unstructured data like 3D point clouds or even protein structures. These models are commonly trained in two stages: first, a data compressor is trained, and in a subsequent training stage a flow matching generative model is trained in the latent space of the data compressor. This two-stage paradigm sets obstacles for unifying models across data domains, as hand-crafted compressors architectures are used for different data modalities. To this end, we introduce INRFlow, a domain-agnostic approach to learn flow matching transformers directly in ambient space. Drawing inspiration from INRs, we introduce a conditionally independent point-wise training objective that enables INRFlow to make predictions continuously in coordinate space. Our empirical results demonstrate that INRFlow effectively handles different data modalities such as images, 3D point clouds and protein structure data, achieving strong performance in different domains and outperforming comparable approaches. INRFlow is a promising step towards domain-agnostic flow matching generative models that can be trivially adopted in different data domains.

In recent years, microservices have gained widespread adoption in IT operations due to their scalability, maintenance, and flexibility. However, it becomes challenging for site reliability engineers (SREs) to pinpoint the root cause due to the complex relationships in microservices when facing system malfunctions. Previous research employed structured learning methods (e.g., PC-algorithm) to establish causal relationships and derive root causes from causal graphs. Nevertheless, they ignored the temporal order of time series data and failed to leverage the rich information inherent in the temporal relationships. For instance, in cases where there is a sudden spike in CPU utilization, it can lead to an increase in latency for other microservices. However, in this scenario, the anomaly in CPU utilization occurs before the latency increase, rather than simultaneously. As a result, the PC-algorithm fails to capture such characteristics. To address these challenges, we propose RUN, a novel approach for root cause analysis using neural Granger causal discovery with contrastive learning. RUN enhances the backbone encoder by integrating contextual information from time series, and leverages a time series forecasting model to conduct neural Granger causal discovery. In addition, RUN incorporates Pagerank with a personalization vector to efficiently recommend the top-k root causes. Extensive experiments conducted on the synthetic and real-world microservice-based datasets demonstrate that RUN noticeably outperforms the state-of-the-art root cause analysis methods. Moreover, we provide an analysis scenario for the sock-shop case to showcase the practicality and efficacy of RUN in microservice-based applications. Our code is publicly available at https://github.com/zmlin1998/RUN.

Most methods for Personalized PageRank (PPR) precompute and store all accurate PPR vectors, and at query time, return the ones of interest directly. However, the storage and computation of all accurate PPR vectors can be prohibitive for large graphs, especially in caching them in memory for real-time online querying. In this paper, we propose a distributed framework that strikes a better balance between offline indexing and online querying. The offline indexing attains a fingerprint of the PPR vector of each vertex by performing billions of "short" random walks in parallel across a cluster of machines. We prove that our indexing method has an exponential convergence, achieving the same precision with previous methods using a much smaller number of random walks. At query time, the new PPR vector is composed by a linear combination of related fingerprints, in a highly efficient vertex-centric decomposition manner. Interestingly, the resulting PPR vector is much more accurate than its offline counterpart because it actually uses more random walks in its estimation. More importantly, we show that such decomposition for a batch of queries can be very efficiently processed using a shared decomposition. Our implementation, PowerWalk, takes advantage of advanced distributed graph engines and it outperforms the state-of-the-art algorithms by orders of magnitude. Particularly, it responses to tens of thousands of queries on graphs with billions of edges in just a few seconds.

Diffusion models have revolutionized text-to-image generation with its exceptional quality and creativity. However, its multi-step sampling process is known to be slow, often requiring tens of inference steps to obtain satisfactory results. Previous attempts to improve its sampling speed and reduce computational costs through distillation have been unsuccessful in achieving a functional one-step model. In this paper, we explore a recent method called Rectified Flow, which, thus far, has only been applied to small datasets. The core of Rectified Flow lies in its reflow procedure, which straightens the trajectories of probability flows, refines the coupling between noises and images, and facilitates the distillation process with student models. We propose a novel text-conditioned pipeline to turn Stable Diffusion (SD) into an ultra-fast one-step model, in which we find reflow plays a critical role in improving the assignment between noise and images. Leveraging our new pipeline, we create, to the best of our knowledge, the first one-step diffusion-based text-to-image generator with SD-level image quality, achieving an FID (Frechet Inception Distance) of 23.3 on MS COCO 2017-5k, surpassing the previous state-of-the-art technique, progressive distillation, by a significant margin (37.2 rightarrow 23.3 in FID). By utilizing an expanded network with 1.7B parameters, we further improve the FID to 22.4. We call our one-step models InstaFlow. On MS COCO 2014-30k, InstaFlow yields an FID of 13.1 in just 0.09 second, the best in leq 0.1 second regime, outperforming the recent StyleGAN-T (13.9 in 0.1 second). Notably, the training of InstaFlow only costs 199 A100 GPU days. Project page:~https://github.com/gnobitab/InstaFlow.

In this paper, we present a new MTL framework that searches for structures optimized for multiple tasks with diverse graph topologies and shares features among tasks. We design a restricted DAG-based central network with read-in/read-out layers to build topologically diverse task-adaptive structures while limiting search space and time. We search for a single optimized network that serves as multiple task adaptive sub-networks using our three-stage training process. To make the network compact and discretized, we propose a flow-based reduction algorithm and a squeeze loss used in the training process. We evaluate our optimized network on various public MTL datasets and show ours achieves state-of-the-art performance. An extensive ablation study experimentally validates the effectiveness of the sub-module and schemes in our framework.

DARTS search space (DSS) has become a canonical benchmark for NAS whereas some emerging works pointed out the issue of narrow accuracy range and claimed it would hurt the method ranking. We observe some recent studies already suffer from this issue that overshadows the meaning of scores. In this work, we first propose and orchestrate a suite of improvements to frame a larger and harder DSS, termed LHD, while retaining high efficiency in search. We step forward to renovate a LHD-based new benchmark, taking care of both discernibility and accessibility. Specifically, we re-implement twelve baselines and evaluate them across twelve conditions by combining two underexpolored influential factors: transductive robustness and discretization policy, to reasonably construct a benchmark upon multi-condition evaluation. Considering that the tabular benchmarks are always insufficient to adequately evaluate the methods of neural architecture search (NAS), our work can serve as a crucial basis for the future progress of NAS. https://github.com/chaoji90/LHD

While the general machine learning (ML) community has benefited from public datasets, tasks, and models, the progress of ML in healthcare has been hampered by a lack of such shared assets. The success of foundation models creates new challenges for healthcare ML by requiring access to shared pretrained models to validate performance benefits. We help address these challenges through three contributions. First, we publish a new dataset, EHRSHOT, which contains deidentified structured data from the electronic health records (EHRs) of 6,739 patients from Stanford Medicine. Unlike MIMIC-III/IV and other popular EHR datasets, EHRSHOT is longitudinal and not restricted to ICU/ED patients. Second, we publish the weights of CLMBR-T-base, a 141M parameter clinical foundation model pretrained on the structured EHR data of 2.57M patients. We are one of the first to fully release such a model for coded EHR data; in contrast, most prior models released for clinical data (e.g. GatorTron, ClinicalBERT) only work with unstructured text and cannot process the rich, structured data within an EHR. We provide an end-to-end pipeline for the community to validate and build upon its performance. Third, we define 15 few-shot clinical prediction tasks, enabling evaluation of foundation models on benefits such as sample efficiency and task adaptation. Our model and dataset are available via a research data use agreement from the Stanford AIMI Center. Code to reproduce our results are available at our Github repo: https://github.com/som-shahlab/ehrshot-benchmark

Benchmark quality is critical for meaningful evaluation and sustained progress in time series forecasting, particularly given the recent rise of pretrained models. Existing benchmarks often have narrow domain coverage or overlook important real-world settings, such as tasks with covariates. Additionally, their aggregation procedures often lack statistical rigor, making it unclear whether observed performance differences reflect true improvements or random variation. Many benchmarks also fail to provide infrastructure for consistent evaluation or are too rigid to integrate into existing pipelines. To address these gaps, we propose fev-bench, a benchmark comprising 100 forecasting tasks across seven domains, including 46 tasks with covariates. Supporting the benchmark, we introduce fev, a lightweight Python library for benchmarking forecasting models that emphasizes reproducibility and seamless integration with existing workflows. Usingfev, fev-bench employs principled aggregation methods with bootstrapped confidence intervals to report model performance along two complementary dimensions: win rates and skill scores. We report results on fev-bench for various pretrained, statistical and baseline models, and identify promising directions for future research.

Graph neural networks achieve high accuracy in link prediction by jointly leveraging graph topology and node attributes. Topology, however, is represented indirectly; state-of-the-art methods based on subgraph classification label nodes with distance to the target link, so that, although topological information is present, it is tempered by pooling. This makes it challenging to leverage features like loops and motifs associated with network formation mechanisms. We propose a link prediction algorithm based on a new pooling scheme called WalkPool. WalkPool combines the expressivity of topological heuristics with the feature-learning ability of neural networks. It summarizes a putative link by random walk probabilities of adjacent paths. Instead of extracting transition probabilities from the original graph, it computes the transition matrix of a "predictive" latent graph by applying attention to learned features; this may be interpreted as feature-sensitive topology fingerprinting. WalkPool can leverage unsupervised node features or be combined with GNNs and trained end-to-end. It outperforms state-of-the-art methods on all common link prediction benchmarks, both homophilic and heterophilic, with and without node attributes. Applying WalkPool to a set of unsupervised GNNs significantly improves prediction accuracy, suggesting that it may be used as a general-purpose graph pooling scheme.

Relational databases (RDBs) are composed of interconnected tables, where relationships between them are defined through foreign keys. Recent research on applying machine learning to RDBs has explored graph-based representations of RDBs, where rows of tables are modeled as nodes, and foreign key relationships are modeled as edges. RDB-to-graph modeling helps capture cross-table dependencies, ultimately leading to enhanced performance across diverse tasks. However, there are numerous ways to model RDBs as graphs, and performance varies significantly depending on the chosen graph model. In our analysis, applying a common heuristic rule for graph modeling leads to up to a 10% drop in performance compared to the best-performing graph model, which remains non-trivial to identify. To foster research on intelligent RDB-to-graph modeling, we introduce RDB2G-Bench, the first benchmark framework for evaluating such methods. We construct extensive datasets covering 5 real-world RDBs and 12 predictive tasks, resulting in around 50k graph-performance pairs for efficient and reproducible evaluations. Thanks to our precomputed datasets, we were able to benchmark 9 automatic RDB-to-graph modeling methods on the 12 tasks over 600x faster than on-the-fly evaluation, which requires repeated model training. Our analysis of the datasets and benchmark results reveals key structural patterns affecting graph model effectiveness, along with practical implications for effective graph modeling.

The quality of underlying training data is very crucial for building performant machine learning models with wider generalizabilty. However, current machine learning (ML) tools lack streamlined processes for improving the data quality. So, getting data quality insights and iteratively pruning the errors to obtain a dataset which is most representative of downstream use cases is still an ad-hoc manual process. Our work addresses this data tooling gap, required to build improved ML workflows purely through data-centric techniques. More specifically, we introduce a systematic framework for (1) finding noisy or mislabelled samples in the dataset and, (2) identifying the most informative samples, which when included in training would provide maximal model performance lift. We demonstrate the efficacy of our framework on public as well as private enterprise datasets of two Fortune 500 companies, and are confident this work will form the basis for ML teams to perform more intelligent data discovery and pruning.

Recently, great progress has been achieved in text-to-video (T2V) generation by scaling transformer-based diffusion models to billions of parameters, which can generate high-quality videos. However, existing models typically produce only short clips offline, restricting their use cases in interactive and real-time applications. This paper addresses these challenges by proposing StreamDiT, a streaming video generation model. StreamDiT training is based on flow matching by adding a moving buffer. We design mixed training with different partitioning schemes of buffered frames to boost both content consistency and visual quality. StreamDiT modeling is based on adaLN DiT with varying time embedding and window attention. To practice the proposed method, we train a StreamDiT model with 4B parameters. In addition, we propose a multistep distillation method tailored for StreamDiT. Sampling distillation is performed in each segment of a chosen partitioning scheme. After distillation, the total number of function evaluations (NFEs) is reduced to the number of chunks in a buffer. Finally, our distilled model reaches real-time performance at 16 FPS on one GPU, which can generate video streams at 512p resolution. We evaluate our method through both quantitative metrics and human evaluation. Our model enables real-time applications, e.g. streaming generation, interactive generation, and video-to-video. We provide video results and more examples in our project website: <a href="https://cumulo-autumn.github.io/StreamDiT/">this https URL.</a>

Many graph representation learning (GRL) problems are dynamic, with millions of edges added or removed per second. A fundamental workload in this setting is dynamic link prediction: using a history of graph updates to predict whether a given pair of vertices will become connected. Recent schemes for link prediction in such dynamic settings employ Transformers, modeling individual graph updates as single tokens. In this work, we propose HOT: a model that enhances this line of works by harnessing higher-order (HO) graph structures; specifically, k-hop neighbors and more general subgraphs containing a given pair of vertices. Harnessing such HO structures by encoding them into the attention matrix of the underlying Transformer results in higher accuracy of link prediction outcomes, but at the expense of increased memory pressure. To alleviate this, we resort to a recent class of schemes that impose hierarchy on the attention matrix, significantly reducing memory footprint. The final design offers a sweetspot between high accuracy and low memory utilization. HOT outperforms other dynamic GRL schemes, for example achieving 9%, 7%, and 15% higher accuracy than - respectively - DyGFormer, TGN, and GraphMixer, for the MOOC dataset. Our design can be seamlessly extended towards other dynamic GRL workloads.

Building on the success of diffusion models in visual generation, flow-based models reemerge as another prominent family of generative models that have achieved competitive or better performance in terms of both visual quality and inference speed. By learning the velocity field through flow-matching, flow-based models tend to produce a straighter sampling trajectory, which is advantageous during the sampling process. However, unlike diffusion models for which fast samplers are well-developed, efficient sampling of flow-based generative models has been rarely explored. In this paper, we propose a framework called FlowTurbo to accelerate the sampling of flow-based models while still enhancing the sampling quality. Our primary observation is that the velocity predictor's outputs in the flow-based models will become stable during the sampling, enabling the estimation of velocity via a lightweight velocity refiner. Additionally, we introduce several techniques including a pseudo corrector and sample-aware compilation to further reduce inference time. Since FlowTurbo does not change the multi-step sampling paradigm, it can be effectively applied for various tasks such as image editing, inpainting, etc. By integrating FlowTurbo into different flow-based models, we obtain an acceleration ratio of 53.1%sim58.3% on class-conditional generation and 29.8%sim38.5% on text-to-image generation. Notably, FlowTurbo reaches an FID of 2.12 on ImageNet with 100 (ms / img) and FID of 3.93 with 38 (ms / img), achieving the real-time image generation and establishing the new state-of-the-art. Code is available at https://github.com/shiml20/FlowTurbo.

Smoke generated by surgical instruments during laparoscopic surgery can obscure the visual field, impairing surgeons' ability to perform operations accurately and safely. Thus, smoke removal task for laparoscopic images is highly desirable. Despite laparoscopic image desmoking has attracted the attention of researchers in recent years and several algorithms have emerged, the lack of publicly available high-quality benchmark datasets is the main bottleneck to hamper the development progress of this task. To advance this field, we construct a new high-quality dataset for Laparoscopic Surgery image Desmoking, named LSD3K, consisting of 3,000 paired synthetic non-homogeneous smoke images. In this paper, we provide a dataset generation pipeline, which includes modeling smoke shape using Blender, collecting ground-truth images from the Cholec80 dataset, random sampling of smoke masks and etc. Based on the proposed benchmark, we further conducted a comprehensive evaluation of the existing representative desmoking algorithms. The proposed dataset is publicly available at https://drive.google.com/file/d/1v0U5_3S4nJpaUiP898Q0pc-MfEAtnbOq/view?usp=sharing

Lifting low-level or legacy code into a domain-specific language (DSL) improves our ability to understand it, enables deeper formal reasoning, and facilitates safe modification. We present the CoCompiler, a bidirectional compiler and lifter between C and Lustre, a synchronous dataflow language used for reactive systems. The key insight behind the CoCompiler is that writing a compiler as a relation, rather than as a traditional function, yields a DSL lifter "for free". We implement this idea by rewriting the verified Lustre-to-C compiler V\'elus in the Walrus relational programming language. This solves what we call the vertical lifting problem, translating canonical C into Lustre. To address the complementary horizontal problem-handling real-world C outside the compiler's image-we apply semantic-preserving canonicalization passes in Haskell. The resulting tool, the CoCompiler, supports lifting real reactive C code into Lustre and onward into graphical behavioral models. Our approach is modular, language-agnostic, and fast to implement, demonstrating that relational programming offers a practical foundation for building DSL lifters by repurposing existing compilers.

Real-world databases are predominantly relational, comprising multiple interlinked tables that contain complex structural and statistical dependencies. Learning generative models on relational data has shown great promise in generating synthetic data and imputing missing values. However, existing methods often struggle to capture this complexity, typically reducing relational data to conditionally generated flat tables and imposing limiting structural assumptions. To address these limitations, we introduce RelDiff, a novel diffusion generative model that synthesizes complete relational databases by explicitly modeling their foreign key graph structure. RelDiff combines a joint graph-conditioned diffusion process across all tables for attribute synthesis, and a 2K+SBM graph generator based on the Stochastic Block Model for structure generation. The decomposition of graph structure and relational attributes ensures both high fidelity and referential integrity, both of which are crucial aspects of synthetic relational database generation. Experiments on 11 benchmark datasets demonstrate that RelDiff consistently outperforms prior methods in producing realistic and coherent synthetic relational databases. Code is available at https://github.com/ValterH/RelDiff.

AIOps (Artificial Intelligence for IT Operations) solutions leverage the tremendous amount of data produced during the operation of large-scale systems and machine learning models to assist software practitioners in their system operations. Existing AIOps solutions usually maintain AIOps models against concept drift through periodical retraining, despite leaving a pile of discarded historical models that may perform well on specific future data. Other prior works propose dynamically selecting models for prediction tasks from a set of candidate models to optimize the model performance. However, there is no prior work in the AIOps area that assesses the use of model selection mechanisms on historical models to improve model performance or robustness. To fill the gap, we evaluate several model selection mechanisms by assessing their capabilities in selecting the optimal AIOps models that were built in the past to make predictions for the target data. We performed a case study on three large-scale public operation datasets: two trace datasets from the cloud computing platforms of Google and Alibaba, and one disk stats dataset from the BackBlaze cloud storage data center. We observe that the model selection mechnisms utilizing temporal adjacency tend to have a better performance and can prevail the periodical retraining approach. Our findings also highlight a performance gap between existing model selection mechnisms and the theoretical upper bound which may motivate future researchers and practitioners in investigating more efficient and effective model selection mechanisms that fit in the context of AIOps.

Diffusion models have achieved significant progress in both image and video generation while still suffering from huge computation costs. As an effective solution, flow matching aims to reflow the diffusion process of diffusion models into a straight line for a few-step and even one-step generation. However, in this paper, we suggest that the original training pipeline of flow matching is not optimal and introduce two techniques to improve it. Firstly, we introduce progressive reflow, which progressively reflows the diffusion models in local timesteps until the whole diffusion progresses, reducing the difficulty of flow matching. Second, we introduce aligned v-prediction, which highlights the importance of direction matching in flow matching over magnitude matching. Experimental results on SDv1.5 and SDXL demonstrate the effectiveness of our method, for example, conducting on SDv1.5 achieves an FID of 10.70 on MSCOCO2014 validation set with only 4 sampling steps, close to our teacher model (32 DDIM steps, FID = 10.05).

Computer games, as fully controlled simulated environments, have been utilized in significant scientific studies demonstrating the application of Reinforcement Learning (RL). Gaming and esports are key areas influenced by the application of Artificial Intelligence (AI) and Machine Learning (ML) solutions at scale. Tooling simplifies scientific workloads and is essential for developing the gaming and esports research area. In this work, we present ``SC2Tools'', a toolset containing multiple submodules responsible for working with, and producing larger datasets. We provide a modular structure of the implemented tooling, leaving room for future extensions where needed. Additionally, some of the tools are not StarCraft~2 exclusive and can be used with other types of data for dataset creation. The tools we present were leveraged in creating one of the largest StarCraft~2 tournament datasets to date with a separate PyTorch and PyTorch Lightning application programming interface (API) for easy access to the data. We conclude that alleviating the burden of data collection, preprocessing, and custom code development is essential for less technically proficient researchers to engage in the growing gaming and esports research area. Finally, our solution provides some foundational work toward normalizing experiment workflow in StarCraft~2

Though Rectified Flows (ReFlows) with distillation offers a promising way for fast sampling, its fast inversion transforms images back to structured noise for recovery and following editing remains unsolved. This paper introduces FireFlow, a simple yet effective zero-shot approach that inherits the startling capacity of ReFlow-based models (such as FLUX) in generation while extending its capabilities to accurate inversion and editing in 8 steps. We first demonstrate that a carefully designed numerical solver is pivotal for ReFlow inversion, enabling accurate inversion and reconstruction with the precision of a second-order solver while maintaining the practical efficiency of a first-order Euler method. This solver achieves a 3times runtime speedup compared to state-of-the-art ReFlow inversion and editing techniques, while delivering smaller reconstruction errors and superior editing results in a training-free mode. The code is available at https://github.com/HolmesShuan/FireFlow{this URL}.

Real-world enterprise text-to-SQL workflows often involve complex cloud or local data across various database systems, multiple SQL queries in various dialects, and diverse operations from data transformation to analytics. We introduce Spider 2.0, an evaluation framework comprising 632 real-world text-to-SQL workflow problems derived from enterprise-level database use cases. The databases in Spider 2.0 are sourced from real data applications, often containing over 1,000 columns and stored in local or cloud database systems such as BigQuery and Snowflake. We show that solving problems in Spider 2.0 frequently requires understanding and searching through database metadata, dialect documentation, and even project-level codebases. This challenge calls for models to interact with complex SQL workflow environments, process extremely long contexts, perform intricate reasoning, and generate multiple SQL queries with diverse operations, often exceeding 100 lines, which goes far beyond traditional text-to-SQL challenges. Our evaluations indicate that based on o1-preview, our code agent framework successfully solves only 17.0% of the tasks, compared with 91.2% on Spider 1.0 and 73.0% on BIRD. Our results on Spider 2.0 show that while language models have demonstrated remarkable performance in code generation -- especially in prior text-to-SQL benchmarks -- they require significant improvement in order to achieve adequate performance for real-world enterprise usage. Progress on Spider 2.0 represents crucial steps towards developing intelligent, autonomous, code agents for real-world enterprise settings. Our code, baseline models, and data are available at https://spider2-sql.github.io.

The advancement of open-source text-to-image (T2I) models has been hindered by the absence of large-scale, reasoning-focused datasets and comprehensive evaluation benchmarks, resulting in a performance gap compared to leading closed-source systems. To address this challenge, We introduce FLUX-Reason-6M and PRISM-Bench (Precise and Robust Image Synthesis Measurement Benchmark). FLUX-Reason-6M is a massive dataset consisting of 6 million high-quality FLUX-generated images and 20 million bilingual (English and Chinese) descriptions specifically designed to teach complex reasoning. The image are organized according to six key characteristics: Imagination, Entity, Text rendering, Style, Affection, and Composition, and design explicit Generation Chain-of-Thought (GCoT) to provide detailed breakdowns of image generation steps. The whole data curation takes 15,000 A100 GPU days, providing the community with a resource previously unattainable outside of large industrial labs. PRISM-Bench offers a novel evaluation standard with seven distinct tracks, including a formidable Long Text challenge using GCoT. Through carefully designed prompts, it utilizes advanced vision-language models for nuanced human-aligned assessment of prompt-image alignment and image aesthetics. Our extensive evaluation of 19 leading models on PRISM-Bench reveals critical performance gaps and highlights specific areas requiring improvement. Our dataset, benchmark, and evaluation code are released to catalyze the next wave of reasoning-oriented T2I generation. Project page: https://flux-reason-6m.github.io/ .

Large Generative Models (LGMs) such as GPT, Stable Diffusion, Sora, and Suno are trained on a huge amount of language corpus, images, videos, and audio that are extremely diverse from numerous domains. This training paradigm over diverse well-curated data lies at the heart of generating creative and sensible content. However, all previous graph generative models (e.g., GraphRNN, MDVAE, MoFlow, GDSS, and DiGress) have been trained only on one dataset each time, which cannot replicate the revolutionary success achieved by LGMs in other fields. To remedy this crucial gap, we propose a new class of graph generative model called Large Graph Generative Model (LGGM) that is trained on a large corpus of graphs (over 5000 graphs) from 13 different domains. We empirically demonstrate that the pre-trained LGGM has superior zero-shot generative capability to existing graph generative models. Furthermore, our pre-trained LGGM can be easily fine-tuned with graphs from target domains and demonstrate even better performance than those directly trained from scratch, behaving as a solid starting point for real-world customization. Inspired by Stable Diffusion, we further equip LGGM with the capability to generate graphs given text prompts (Text-to-Graph), such as the description of the network name and domain (i.e., "The power-1138-bus graph represents a network of buses in a power distribution system."), and network statistics (i.e., "The graph has a low average degree, suitable for modeling social media interactions."). This Text-to-Graph capability integrates the extensive world knowledge in the underlying language model, offering users fine-grained control of the generated graphs. We release the code, the model checkpoint, and the datasets at https://lggm-lg.github.io/.

Benchmarks that closely reflect downstream application scenarios are essential for the streamlined adoption of new research in tabular machine learning (ML). In this work, we examine existing tabular benchmarks and find two common characteristics of industry-grade tabular data that are underrepresented in the datasets available to the academic community. First, tabular data often changes over time in real-world deployment scenarios. This impacts model performance and requires time-based train and test splits for correct model evaluation. Yet, existing academic tabular datasets often lack timestamp metadata to enable such evaluation. Second, a considerable portion of datasets in production settings stem from extensive data acquisition and feature engineering pipelines. For each specific dataset, this can have a different impact on the absolute and relative number of predictive, uninformative, and correlated features, which in turn can affect model selection. To fill the aforementioned gaps in academic benchmarks, we introduce TabReD -- a collection of eight industry-grade tabular datasets covering a wide range of domains from finance to food delivery services. We assess a large number of tabular ML models in the feature-rich, temporally-evolving data setting facilitated by TabReD. We demonstrate that evaluation on time-based data splits leads to different methods ranking, compared to evaluation on random splits more common in academic benchmarks. Furthermore, on the TabReD datasets, MLP-like architectures and GBDT show the best results, while more sophisticated DL models are yet to prove their effectiveness.

Recent years have witnessed the great success of graph pre-training for graph representation learning. With hundreds of graph pre-training tasks proposed, integrating knowledge acquired from multiple pre-training tasks has become a popular research topic. In this paper, we identify two important collaborative processes for this topic: (1) select: how to select an optimal task combination from a given task pool based on their compatibility, and (2) weigh: how to weigh the selected tasks based on their importance. While there currently has been a lot of work focused on weighing, comparatively little effort has been devoted to selecting. This paper proposes a novel instance-level framework for integrating multiple graph pre-training tasks, Weigh And Select (WAS), where the two collaborative processes, weighing and selecting, are combined by decoupled siamese networks. Specifically, it first adaptively learns an optimal combination of tasks for each instance from a given task pool, based on which a customized instance-level task weighing strategy is learned. Extensive experiments on 16 graph datasets across node-level and graph-level downstream tasks have demonstrated that by combining a few simple but classical tasks, WAS can achieve comparable performance to other leading counterparts. The code is available at https://github.com/TianyuFan0504/WAS.

Much of the world's most valued data is stored in relational databases and data warehouses, where the data is organized into many tables connected by primary-foreign key relations. However, building machine learning models using this data is both challenging and time consuming. The core problem is that no machine learning method is capable of learning on multiple tables interconnected by primary-foreign key relations. Current methods can only learn from a single table, so the data must first be manually joined and aggregated into a single training table, the process known as feature engineering. Feature engineering is slow, error prone and leads to suboptimal models. Here we introduce an end-to-end deep representation learning approach to directly learn on data laid out across multiple tables. We name our approach Relational Deep Learning (RDL). The core idea is to view relational databases as a temporal, heterogeneous graph, with a node for each row in each table, and edges specified by primary-foreign key links. Message Passing Graph Neural Networks can then automatically learn across the graph to extract representations that leverage all input data, without any manual feature engineering. Relational Deep Learning leads to more accurate models that can be built much faster. To facilitate research in this area, we develop RelBench, a set of benchmark datasets and an implementation of Relational Deep Learning. The data covers a wide spectrum, from discussions on Stack Exchange to book reviews on the Amazon Product Catalog. Overall, we define a new research area that generalizes graph machine learning and broadens its applicability to a wide set of AI use cases.

Digital Twins are digital representations of systems in the Internet of Things (IoT) that are often based on AI models that are trained on data from those systems. Semantic models are used increasingly to link these datasets from different stages of the IoT systems life-cycle together and to automatically configure the AI modelling pipelines. This combination of semantic models with AI pipelines running on external datasets raises unique challenges particular if rolled out at scale. Within this paper we will discuss the unique requirements of applying semantic graphs to automate Digital Twins in different practical use cases. We will introduce the benchmark dataset DTBM that reflects these characteristics and look into the scaling challenges of different knowledge graph technologies. Based on these insights we will propose a reference architecture that is in-use in multiple products in IBM and derive lessons learned for scaling knowledge graphs for configuring AI models for Digital Twins.

The growing importance of data visualization in business intelligence and data science emphasizes the need for tools that can efficiently generate meaningful visualizations from large datasets. Existing tools fall into two main categories: human-powered tools (e.g., Tableau and PowerBI), which require intensive expert involvement, and AI-powered automated tools (e.g., Draco and Table2Charts), which often fall short of guessing specific user needs. In this paper, we aim to achieve the best of both worlds. Our key idea is to initially auto-generate a set of high-quality visualizations to minimize manual effort, then refine this process iteratively with user feedback to more closely align with their needs. To this end, we present HAIChart, a reinforcement learning-based framework designed to iteratively recommend good visualizations for a given dataset by incorporating user feedback. Specifically, we propose a Monte Carlo Graph Search-based visualization generation algorithm paired with a composite reward function to efficiently explore the visualization space and automatically generate good visualizations. We devise a visualization hints mechanism to actively incorporate user feedback, thus progressively refining the visualization generation module. We further prove that the top-k visualization hints selection problem is NP-hard and design an efficient algorithm. We conduct both quantitative evaluations and user studies, showing that HAIChart significantly outperforms state-of-the-art human-powered tools (21% better at Recall and 1.8 times faster) and AI-powered automatic tools (25.1% and 14.9% better in terms of Hit@3 and R10@30, respectively).

Generative Flow Networks (GFlowNets) are amortized sampling methods that learn a distribution over discrete objects proportional to their rewards. GFlowNets exhibit a remarkable ability to generate diverse samples, yet occasionally struggle to consistently produce samples with high rewards due to over-exploration on wide sample space. This paper proposes to train GFlowNets with local search, which focuses on exploiting high-rewarded sample space to resolve this issue. Our main idea is to explore the local neighborhood via backtracking and reconstruction guided by backward and forward policies, respectively. This allows biasing the samples toward high-reward solutions, which is not possible for a typical GFlowNet solution generation scheme, which uses the forward policy to generate the solution from scratch. Extensive experiments demonstrate a remarkable performance improvement in several biochemical tasks. Source code is available: https://github.com/dbsxodud-11/ls_gfn.

We present Datarus-R1-14B, a 14 B-parameter open-weights language model fine-tuned from Qwen 2.5-14B-Instruct to act as a virtual data analyst and graduate-level problem solver. Datarus is trained not on isolated question-answer pairs but on full analytical trajectories including reasoning steps, code execution, error traces, self-corrections, and final conclusions, all captured in a ReAct-style notebook format spanning finance, medicine, numerical analysis, and other quantitative domains. Our training pipeline combines (i) a trajectory-centric synthetic data generator that yielded 144 000 tagged notebook episodes, (ii) a dual-reward framework blending a lightweight tag-based structural signal with a Hierarchical Reward Model (HRM) that scores both single-step soundness and end-to-end coherence, and (iii) a memory-optimized implementation of Group Relative Policy Optimization (GRPO) featuring KV-cache reuse, sequential generation, and reference-model sharding. A cosine curriculum smoothly shifts emphasis from structural fidelity to semantic depth, reducing the format collapse and verbosity that often plague RL-aligned LLMs. A central design choice in Datarus is it dual reasoning interface. In agentic mode the model produces ReAct-tagged steps that invoke Python tools to execute real code; in reflection mode it outputs compact Chain-of-Thought (CoT) traces delimited by <think> and <answer> tags. On demanding postgraduate-level problems, Datarus exhibits an "AHA-moment" pattern: it sketches hypotheses, revises them once or twice, and converges avoiding the circular, token-inflating loops common to contemporary systems. Across standard public benchmarks Datarus surpasses similar size models and even reaches the level of larger reasoning models such as QwQ-32B achieving up to 30% higher accuracy on AIME 2024/2025 and LiveCodeBench while emitting 18-49% fewer tokens per solution.

Recent work has shown that leveraging learned predictions can improve the running time of algorithms for bipartite matching and similar combinatorial problems. In this work, we build on this idea to improve the performance of the widely used Ford-Fulkerson algorithm for computing maximum flows by seeding Ford-Fulkerson with predicted flows. Our proposed method offers strong theoretical performance in terms of the quality of the prediction. We then consider image segmentation, a common use-case of flows in computer vision, and complement our theoretical analysis with strong empirical results.

Climate data science faces persistent barriers stemming from the fragmented nature of data sources, heterogeneous formats, and the steep technical expertise required to identify, acquire, and process datasets. These challenges limit participation, slow discovery, and reduce the reproducibility of scientific workflows. In this paper, we present a proof of concept for addressing these barriers through the integration of a curated knowledge graph (KG) with AI agents designed for cloud-native scientific workflows. The KG provides a unifying layer that organizes datasets, tools, and workflows, while AI agents -- powered by generative AI services -- enable natural language interaction, automated data access, and streamlined analysis. Together, these components drastically lower the technical threshold for engaging in climate data science, enabling non-specialist users to identify and analyze relevant datasets. By leveraging existing cloud-ready API data portals, we demonstrate that "a knowledge graph is all you need" to unlock scalable and agentic workflows for scientific inquiry. The open-source design of our system further supports community contributions, ensuring that the KG and associated tools can evolve as a shared commons. Our results illustrate a pathway toward democratizing access to climate data and establishing a reproducible, extensible framework for human--AI collaboration in scientific research.