Feiyi Wang

LG
h-index42
25papers
99citations
Novelty47%
AI Score53

25 Papers

AIOct 6, 2023
DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies

Shuaiwen Leon Song, Bonnie Kruft, Minjia Zhang et al. · microsoft-research

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

CLApr 22
Beyond Pixels: Introspective and Interactive Grounding for Visualization Agents

Yiyang Lu, Woong Shin, Ahmad Maroof Karimi et al.

Vision-Language Models (VLMs) frequently misread values, hallucinate details, and confuse overlapping elements in charts. Current approaches rely solely on pixel interpretation, creating a Pixel-Only Bottleneck: agents treat interactive charts as static images, losing access to the structured specification that encodes exact values. We introduce Introspective and Interactive Visual Grounding (IVG), a framework that combines (1) spec-grounded introspection, which queries the underlying specification for deterministic evidence, with (2) view-grounded interaction, which manipulates the view to resolve visual ambiguity. To enable evaluation without VLM bias, we present iPlotBench, a benchmark of 500 interactive Plotly figures with 6,706 binary questions and ground-truth specifications. Experiments show that introspection improves data reconstruction fidelity, while the combination with interaction achieves the highest QA accuracy (0.81), with +6.7 % gains on overlapping geometries. We further demonstrate IVG in deployed agents that explore data autonomously and collaborate with human users in real time.

CVFeb 17Code
Accelerating Large-Scale Dataset Distillation via Exploration-Exploitation Optimization

Muhammad J. Alahmadi, Peng Gao, Feiyi Wang et al.

Dataset distillation compresses the original data into compact synthetic datasets, reducing training time and storage while retaining model performance, enabling deployment under limited resources. Although recent decoupling-based distillation methods enable dataset distillation at large scale, they continue to face an efficiency gap: optimization-based decoupling methods achieve higher accuracy but demand intensive computation, whereas optimization-free decoupling methods are efficient but sacrifice accuracy. To overcome this trade-off, we propose Exploration--Exploitation Distillation (E$^2$D), a simple, practical method that minimizes redundant computation through an efficient pipeline that begins with full-image initialization to preserve semantic integrity and feature diversity. It then uses a two-phase optimization strategy: an exploration phase that performs uniform updates and identifies high-loss regions, and an exploitation phase that focuses updates on these regions to accelerate convergence. We evaluate E$^2$D on large-scale benchmarks, surpassing the state-of-the-art on ImageNet-1K while being $18\times$ faster, and on ImageNet-21K, our method substantially improves accuracy while remaining $4.3\times$ faster. These results demonstrate that targeted, redundancy-reducing updates, rather than brute-force optimization, bridge the gap between accuracy and efficiency in large-scale dataset distillation. Code is available at https://github.com/ncsu-dk-lab/E2D.

CRApr 7
FedSpy-LLM: Towards Scalable and Generalizable Data Reconstruction Attacks from Gradients on LLMs

Syed Irfan Ali Meerza, Feiyi Wang, Jian Liu

Given the growing reliance on private data in training Large Language Models (LLMs), Federated Learning (FL) combined with Parameter-Efficient Fine-Tuning (PEFT) has garnered significant attention for enhancing privacy and efficiency. Despite FL's privacy benefits, prior studies have shown that private data can still be extracted from shared gradients. However, these studies, mainly on full-parameter model training, are limited to reconstructing small batches, short input sequences, and specific model architectures, such as encoder-based or decoder-based models. The reconstruction quality becomes even worse when dealing with gradients from PEFT methods. To fully understand the practical attack surface of federated LLMs, this paper proposes FedSpy-LLM, a scalable and generalizable data reconstruction attack designed to reconstruct training data with larger batch sizes and longer sequences while generalizing across diverse model architectures, even when PEFT methods are deployed for training. At the core of FedSpy-LLM is a novel gradient decomposition strategy that exploits the rank deficiency and subspace structure of gradients, enabling efficient token extraction while preserving key signal components at scale. This approach further mitigates the reconstruction challenges introduced by PEFT's substantial null space, ensuring robustness across encoder-based, decoder-based, and encoder-decoder model architectures. Additionally, by iteratively aligning each token's partial-sequence gradient with the full-sequence gradient, FedSpy-LLM ensures accurate token ordering in reconstructed sequences.

CVJun 18, 2025Code
Modulated Diffusion: Accelerating Generative Modeling with Modulated Quantization

Weizhi Gao, Zhichao Hou, Junqi Yin et al.

Diffusion models have emerged as powerful generative models, but their high computation cost in iterative sampling remains a significant bottleneck. In this work, we present an in-depth and insightful study of state-of-the-art acceleration techniques for diffusion models, including caching and quantization, revealing their limitations in computation error and generation quality. To break these limits, this work introduces Modulated Diffusion (MoDiff), an innovative, rigorous, and principled framework that accelerates generative modeling through modulated quantization and error compensation. MoDiff not only inherents the advantages of existing caching and quantization methods but also serves as a general framework to accelerate all diffusion models. The advantages of MoDiff are supported by solid theoretical insight and analysis. In addition, extensive experiments on CIFAR-10 and LSUN demonstrate that MoDiff significant reduces activation quantization from 8 bits to 3 bits without performance degradation in post-training quantization (PTQ). Our code implementation is available at https://github.com/WeizhiGao/MoDiff.

LGSep 23, 2025Code
OmniFed: A Modular Framework for Configurable Federated Learning from Edge to HPC

Sahil Tyagi, Andrei Cozma, Olivera Kotevska et al.

Federated Learning (FL) is critical for edge and High Performance Computing (HPC) where data is not centralized and privacy is crucial. We present OmniFed, a modular framework designed around decoupling and clear separation of concerns for configuration, orchestration, communication, and training logic. Its architecture supports configuration-driven prototyping and code-level override-what-you-need customization. We also support different topologies, mixed communication protocols within a single deployment, and popular training algorithms. It also offers optional privacy mechanisms including Differential Privacy (DP), Homomorphic Encryption (HE), and Secure Aggregation (SA), as well as compression strategies. These capabilities are exposed through well-defined extension points, allowing users to customize topology and orchestration, learning logic, and privacy/compression plugins, all while preserving the integrity of the core system. We evaluate multiple models and algorithms to measure various performance metrics. By unifying topology configuration, mixed-protocol communication, and pluggable modules in one stack, OmniFed streamlines FL deployment across heterogeneous environments. Github repository is available at https://github.com/at-aaims/OmniFed.

LGAug 18, 2025Code
X-MoE: Enabling Scalable Training for Emerging Mixture-of-Experts Architectures on HPC Platforms

Yueming Yuan, Ahan Gupta, Jianping Li et al.

Emerging expert-specialized Mixture-of-Experts (MoE) architectures, such as DeepSeek-MoE, deliver strong model quality through fine-grained expert segmentation and large top-k routing. However, their scalability is limited by substantial activation memory overhead and costly all-to-all communication. Furthermore, current MoE training systems - primarily optimized for NVIDIA GPUs - perform suboptimally on non-NVIDIA platforms, leaving significant computational potential untapped. In this work, we present X-MoE, a novel MoE training system designed to deliver scalable training performance for next-generation MoE architectures. X-MoE achieves this via several novel techniques, including efficient padding-free MoE training with cross-platform kernels, redundancy-bypassing dispatch, and hybrid parallelism with sequence-sharded MoE blocks. Our evaluation on the Frontier supercomputer, powered by AMD MI250X GPUs, shows that X-MoE scales DeepSeek-style MoEs up to 545 billion parameters across 1024 GPUs - 10x larger than the largest trainable model with existing methods under the same hardware budget, while maintaining high training throughput. The source code of X-MoE is available at https://github.com/Supercomputing-System-AI-Lab/X-MoE.

DCMay 6
Piper: Efficient Large-Scale MoE Training via Resource Modeling and Pipelined Hybrid Parallelism

Sajal Dash, Feiyi Wang

Frontier models increasingly adopt Mixture-of-Experts (MoE) architectures to achieve large-model performance at reduced cost. However, training MoE models on HPC platforms is hindered by large memory footprints, frequent large-scale communication across heterogeneous networks, and severe workload imbalance. To characterize these challenges, we develop a mathematical model that quantifies memory, compute, and communication requirements for MoE configurations under various parallelization schemes, verified through micro-benchmarking, code instrumentation, and hardware profiling. Our analysis identifies performance bottlenecks: all-to-all latency at scale from expert parallelism, insufficient compute-communication overlap, low GPU utilization from imbalanced skinny GEMMs, and the absence of platform-aware hybrid parallelization strategies. To address these, we introduce Piper, a framework that leverages resource modeling to identify efficient training strategies for MoE models on target HPC platforms, applying pipeline parallelism with optimized schedules. Piper achieves 2-3.5X higher MFU than state-of-the-art frameworks such as X-MoE, and a novel all-to-all algorithm delivers 1.2-9X bandwidth over vendor implementation.

DCDec 20, 2023
Optimizing Distributed Training on Frontier for Large Language Models

Sajal Dash, Isaac Lyngaas, Junqi Yin et al.

Large language models (LLMs) have demonstrated remarkable success as foundational models, benefiting various downstream applications through fine-tuning. Recent studies on loss scaling have demonstrated the superior performance of larger LLMs compared to their smaller counterparts. Nevertheless, training LLMs with billions of parameters poses significant challenges and requires considerable computational resources. For example, training a one trillion parameter GPT-style model on 20 trillion tokens requires a staggering 120 million exaflops of computation. This research explores efficient distributed training strategies to extract this computation from Frontier, the world's first exascale supercomputer dedicated to open science. We enable and investigate various model and data parallel training techniques, such as tensor parallelism, pipeline parallelism, and sharded data parallelism, to facilitate training a trillion-parameter model on Frontier. We empirically assess these techniques and their associated parameters to determine their impact on memory footprint, communication latency, and GPU's computational efficiency. We analyze the complex interplay among these techniques and find a strategy to combine them to achieve high throughput through hyperparameter tuning. We have identified efficient strategies for training large LLMs of varying sizes through empirical analysis and hyperparameter tuning. For 22 Billion, 175 Billion, and 1 Trillion parameters, we achieved GPU throughputs of $38.38\%$, $36.14\%$, and $31.96\%$, respectively. For the training of the 175 Billion parameter model and the 1 Trillion parameter model, we achieved $100\%$ weak scaling efficiency on 1024 and 3072 MI250X GPUs, respectively. We also achieved strong scaling efficiencies of $89\%$ and $87\%$ for these two models.

LGMar 18
Tula: Optimizing Time, Cost, and Generalization in Distributed Large-Batch Training

Sahil Tyagi, Feiyi Wang

Distributed training increases the number of batches processed per iteration either by scaling-out (adding more nodes) or scaling-up (increasing the batch-size). However, the largest configuration does not necessarily yield the best performance. Horizontal scaling introduces additional communication overhead, while vertical scaling is constrained by computation cost and device memory limits. Thus, simply increasing the batch-size leads to diminishing returns: training time and cost decrease initially but eventually plateaus, creating a knee-point in the time/cost versus batch-size pareto curve. The optimal batch-size therefore depends on the underlying model, data and available compute resources. Large batches also suffer from worse model quality due to the well-known generalization gap. In this paper, we present Tula, an online service that automatically optimizes time, cost, and convergence quality for large-batch training of convolutional models. It combines parallel-systems modeling with statistical performance prediction to identify the optimal batch-size. Tula predicts training time and cost within 7.5-14% error across multiple models, and achieves up to 20x overall speedup and improves test accuracy by 9% on average over standard large-batch training on various vision tasks, thus successfully mitigating the generalization gap and accelerating training at the same time.

AIApr 17, 2024
Pretraining Billion-scale Geospatial Foundational Models on Frontier

Aristeidis Tsaris, Philipe Ambrozio Dias, Abhishek Potnis et al.

As AI workloads increase in scope, generalization capability becomes challenging for small task-specific models and their demand for large amounts of labeled training samples increases. On the contrary, Foundation Models (FMs) are trained with internet-scale unlabeled data via self-supervised learning and have been shown to adapt to various tasks with minimal fine-tuning. Although large FMs have demonstrated significant impact in natural language processing and computer vision, efforts toward FMs for geospatial applications have been restricted to smaller size models, as pretraining larger models requires very large computing resources equipped with state-of-the-art hardware accelerators. Current satellite constellations collect 100+TBs of data a day, resulting in images that are billions of pixels and multimodal in nature. Such geospatial data poses unique challenges opening up new opportunities to develop FMs. We investigate billion scale FMs and HPC training profiles for geospatial applications by pretraining on publicly available data. We studied from end-to-end the performance and impact in the solution by scaling the model size. Our larger 3B parameter size model achieves up to 30% improvement in top1 scene classification accuracy when comparing a 100M parameter model. Moreover, we detail performance experiments on the Frontier supercomputer, America's first exascale system, where we study different model and data parallel approaches using PyTorch's Fully Sharded Data Parallel library. Specifically, we study variants of the Vision Transformer architecture (ViT), conducting performance analysis for ViT models with size up to 15B parameters. By discussing throughput and performance bottlenecks under different parallelism configurations, we offer insights on how to leverage such leadership-class HPC resources when developing large models for geospatial imagery applications.

LGOct 30, 2024
ProTransformer: Robustify Transformers via Plug-and-Play Paradigm

Zhichao Hou, Weizhi Gao, Yuchen Shen et al.

Transformer-based architectures have dominated various areas of machine learning in recent years. In this paper, we introduce a novel robust attention mechanism designed to enhance the resilience of transformer-based architectures. Crucially, this technique can be integrated into existing transformers as a plug-and-play layer, improving their robustness without the need for additional training or fine-tuning. Through comprehensive experiments and ablation studies, we demonstrate that our ProTransformer significantly enhances the robustness of transformer models across a variety of prediction tasks, attack mechanisms, backbone architectures, and data domains. Notably, without further fine-tuning, the ProTransformer consistently improves the performance of vanilla transformers by 19.5%, 28.3%, 16.1%, and 11.4% for BERT, ALBERT, DistilBERT, and RoBERTa, respectively, under the classical TextFooler attack. Furthermore, ProTransformer shows promising resilience in large language models (LLMs) against prompting-based attacks, improving the performance of T5 and LLaMA by 24.8% and 17.8%, respectively, and enhancing Vicuna by an average of 10.4% against the Jailbreaking attack. Beyond the language domain, ProTransformer also demonstrates outstanding robustness in both vision and graph domains.

DCAug 27, 2025
HPC Digital Twins for Evaluating Scheduling Policies, Incentive Structures and their Impact on Power and Cooling

Matthias Maiterth, Wesley H. Brewer, Jaya S. Kuruvella et al.

Schedulers are critical for optimal resource utilization in high-performance computing. Traditional methods to evaluate schedulers are limited to post-deployment analysis, or simulators, which do not model associated infrastructure. In this work, we present the first-of-its-kind integration of scheduling and digital twins in HPC. This enables what-if studies to understand the impact of parameter configurations and scheduling decisions on the physical assets, even before deployment, or regarching changes not easily realizable in production. We (1) provide the first digital twin framework extended with scheduling capabilities, (2) integrate various top-tier HPC systems given their publicly available datasets, (3) implement extensions to integrate external scheduling simulators. Finally, we show how to (4) implement and evaluate incentive structures, as-well-as (5) evaluate machine learning based scheduling, in such novel digital-twin based meta-framework to prototype scheduling. Our work enables what-if scenarios of HPC systems to evaluate sustainability, and the impact on the simulated system.

LGJun 26, 2025
Distributed Cross-Channel Hierarchical Aggregation for Foundation Models

Aristeidis Tsaris, Isaac Lyngaas, John Lagregren et al.

Vision-based scientific foundation models hold significant promise for advancing scientific discovery and innovation. This potential stems from their ability to aggregate images from diverse sources such as varying physical groundings or data acquisition systems and to learn spatio-temporal correlations using transformer architectures. However, tokenizing and aggregating images can be compute-intensive, a challenge not fully addressed by current distributed methods. In this work, we introduce the Distributed Cross-Channel Hierarchical Aggregation (D-CHAG) approach designed for datasets with a large number of channels across image modalities. Our method is compatible with any model-parallel strategy and any type of vision transformer architecture, significantly improving computational efficiency. We evaluated D-CHAG on hyperspectral imaging and weather forecasting tasks. When integrated with tensor parallelism and model sharding, our approach achieved up to a 75% reduction in memory usage and more than doubled sustained throughput on up to 1,024 AMD GPUs on the Frontier Supercomputer.

CVApr 17, 2024
Sequence Length Scaling in Vision Transformers for Scientific Images on Frontier

Aristeidis Tsaris, Chengming Zhang, Xiao Wang et al.

Vision Transformers (ViTs) are pivotal for foundational models in scientific imagery, including Earth science applications, due to their capability to process large sequence lengths. While transformers for text has inspired scaling sequence lengths in ViTs, yet adapting these for ViTs introduces unique challenges. We develop distributed sequence parallelism for ViTs, enabling them to handle up to 1M tokens. Our approach, leveraging DeepSpeed-Ulysses and Long-Sequence-Segmentation with model sharding, is the first to apply sequence parallelism in ViT training, achieving a 94% batch scaling efficiency on 2,048 AMD-MI250X GPUs. Evaluating sequence parallelism in ViTs, particularly in models up to 10B parameters, highlighted substantial bottlenecks. We countered these with hybrid sequence, pipeline, tensor parallelism, and flash attention strategies, to scale beyond single GPU memory limits. Our method significantly enhances climate modeling accuracy by 20% in temperature predictions, marking the first training of a transformer model on a full-attention matrix over 188K sequence length.

AIOct 29, 2025
SciTrust 2.0: A Comprehensive Framework for Evaluating Trustworthiness of Large Language Models in Scientific Applications

Emily Herron, Junqi Yin, Feiyi Wang

Large language models (LLMs) have demonstrated transformative potential in scientific research, yet their deployment in high-stakes contexts raises significant trustworthiness concerns. Here, we introduce SciTrust 2.0, a comprehensive framework for evaluating LLM trustworthiness in scientific applications across four dimensions: truthfulness, adversarial robustness, scientific safety, and scientific ethics. Our framework incorporates novel, open-ended truthfulness benchmarks developed through a verified reflection-tuning pipeline and expert validation, alongside a novel ethics benchmark for scientific research contexts covering eight subcategories including dual-use research and bias. We evaluated seven prominent LLMs, including four science-specialized models and three general-purpose industry models, using multiple evaluation metrics including accuracy, semantic similarity measures, and LLM-based scoring. General-purpose industry models overall outperformed science-specialized models across each trustworthiness dimension, with GPT-o4-mini demonstrating superior performance in truthfulness assessments and adversarial robustness. Science-specialized models showed significant deficiencies in logical and ethical reasoning capabilities, along with concerning vulnerabilities in safety evaluations, particularly in high-risk domains such as biosecurity and chemical weapons. By open-sourcing our framework, we provide a foundation for developing more trustworthy AI systems and advancing research on model safety and ethics in scientific contexts.

AISep 12, 2025
The (R)evolution of Scientific Workflows in the Agentic AI Era: Towards Autonomous Science

Woong Shin, Renan Souza, Daniel Rosendo et al.

Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show exciting new opportunities that can accelerate scientific discovery by providing intelligence as a component in the ecosystem. However, it is unclear how this new capability would materialize and integrate in the real world. To address this, we propose a conceptual framework where workflows evolve along two dimensions which are intelligence (from static to intelligent) and composition (from single to swarm) to chart an evolutionary path from current workflow management systems to fully autonomous, distributed scientific laboratories. With these trajectories in mind, we present an architectural blueprint that can help the community take the next steps towards harnessing the opportunities in autonomous science with the potential for 100x discovery acceleration and transformational scientific workflows.

LGAug 31, 2025
Scaling Up Data Parallelism in Decentralized Deep Learning

Bing Xie, Junqi Yin, Zhenyu Zhou et al.

Although it has been extensively explored in theory, decentralized learning is not yet green-lighted for production use, largely due to a lack of stability, scalability, and generality in large scale DNN training. To shed light on the production use of decentralized learning, this work studies decentralized data parallel training at scale. To this end, we introduce a benchmarking framework, namely DBench, to host both centralized and decentralized DNN training. Building upon DBench, we introduce a benchmarking methodology to uncover the correlations between model accuracy and the variances of parameter tensors by varying communication graphs and training scales. Based on the benchmarking results, we observe that, (1) Similar to centralized learning, decentralized data parallel training also presents the issues of scalability and generality when the training scales up; (2) The model accuracy of decentralized learning is correlated to the number of connections in a communication graph; (3) The model accuracy of decentralized learning is surprisingly sensitive to the variance of parameter tensors across model replicas. Built upon the observations, we propose Ada, a decentralized adaptive approach that performs large scale DNN training following a decentralized SGD method and adapting the communication graph in use dynamically throughout training iterations. We apply Ada on large scale training and observe that Ada can obtain the best convergence rates consistently in decentralized DNN training, and delivers equally or comparably good model accuracy for all sample applications as centralized learning does, even when training ResNet50 for ImageNet-1K on the scale of 1008 GPUs.

DBAug 29, 2025
EPIC: Generative AI Platform for Accelerating HPC Operational Data Analytics

Ahmad Maroof Karimi, Woong Shin, Jesse Hines et al.

We present EPIC, an AI-driven platform designed to augment operational data analytics. EPIC employs a hierarchical multi-agent architecture where a top-level large language model provides query processing, reasoning and synthesis capabilities. These capabilities orchestrate three specialized low-level agents for information retrieval, descriptive analytics, and predictive analytics. This architecture enables EPIC to perform HPC operational analytics on multi-modal data, including text, images, and tabular formats, dynamically and iteratively. EPIC addresses the limitations of existing HPC operational analytics approaches, which rely on static methods that struggle to adapt to evolving analytics tasks and stakeholder demands. Through extensive evaluations on the Frontier HPC system, we demonstrate that EPIC effectively handles complex queries. Using descriptive analytics as a use case, fine-tuned smaller models outperform large state-of-the-art foundation models, achieving up to 26% higher accuracy. Additionally, we achieved 19x savings in LLM operational costs compared to proprietary solutions by employing a hybrid approach that combines large foundational models with fine-tuned local open-weight models.

CLAug 28, 2025
Decoding Memories: An Efficient Pipeline for Self-Consistency Hallucination Detection

Weizhi Gao, Xiaorui Liu, Feiyi Wang et al.

Large language models (LLMs) have demonstrated impressive performance in both research and real-world applications, but they still struggle with hallucination. Existing hallucination detection methods often perform poorly on sentence-level generation or rely heavily on domain-specific knowledge. While self-consistency approaches help address these limitations, they incur high computational costs due to repeated generation. In this paper, we conduct the first study on identifying redundancy in self-consistency methods, manifested as shared prefix tokens across generations, and observe that non-exact-answer tokens contribute minimally to the semantic content. Based on these insights, we propose a novel Decoding Memory Pipeline (DMP) that accelerates generation through selective inference and annealed decoding. Being orthogonal to the model, dataset, decoding strategy, and self-consistency baseline, our DMP consistently improves the efficiency of multi-response generation and holds promise for extension to alignment and reasoning tasks. Extensive experiments show that our method achieves up to a 3x speedup without sacrificing AUROC performance.

LGAug 5, 2025
Intelligent Sampling of Extreme-Scale Turbulence Datasets for Accurate and Efficient Spatiotemporal Model Training

Wesley Brewer, Murali Meena Gopalakrishnan, Matthias Maiterth et al.

With the end of Moore's law and Dennard scaling, efficient training increasingly requires rethinking data volume. Can we train better models with significantly less data via intelligent subsampling? To explore this, we develop SICKLE, a sparse intelligent curation framework for efficient learning, featuring a novel maximum entropy (MaxEnt) sampling approach, scalable training, and energy benchmarking. We compare MaxEnt with random and phase-space sampling on large direct numerical simulation (DNS) datasets of turbulence. Evaluating SICKLE at scale on Frontier, we show that subsampling as a preprocessing step can, in many cases, improve model accuracy and substantially lower energy consumption, with observed reductions of up to 38x.

AIJul 30, 2025
Data Readiness for Scientific AI at Scale

Wesley Brewer, Patrick Widener, Valentine Anantharaj et al.

This paper examines how Data Readiness for AI (DRAI) principles apply to leadership-scale scientific datasets used to train foundation models. We analyze archetypal workflows across four representative domains - climate, nuclear fusion, bio/health, and materials - to identify common preprocessing patterns and domain-specific constraints. We introduce a two-dimensional readiness framework composed of Data Readiness Levels (raw to AI-ready) and Data Processing Stages (ingest to shard), both tailored to high performance computing (HPC) environments. This framework outlines key challenges in transforming scientific data for scalable AI training, emphasizing transformer-based generative models. Together, these dimensions form a conceptual maturity matrix that characterizes scientific data readiness and guides infrastructure development toward standardized, cross-domain support for scalable and reproducible AI for science.

FLU-DYNJul 22, 2025
Pixel-Resolved Long-Context Learning for Turbulence at Exascale: Resolving Small-scale Eddies Toward the Viscous Limit

Junqi Yin, Mijanur Palash, M. Paul Laiu et al.

Turbulence plays a crucial role in multiphysics applications, including aerodynamics, fusion, and combustion. Accurately capturing turbulence's multiscale characteristics is essential for reliable predictions of multiphysics interactions, but remains a grand challenge even for exascale supercomputers and advanced deep learning models. The extreme-resolution data required to represent turbulence, ranging from billions to trillions of grid points, pose prohibitive computational costs for models based on architectures like vision transformers. To address this challenge, we introduce a multiscale hierarchical Turbulence Transformer that reduces sequence length from billions to a few millions and a novel RingX sequence parallelism approach that enables scalable long-context learning. We perform scaling and science runs on the Frontier supercomputer. Our approach demonstrates excellent performance up to 1.1 EFLOPS on 32,768 AMD GPUs, with a scaling efficiency of 94%. To our knowledge, this is the first AI model for turbulence that can capture small-scale eddies down to the dissipative range.

DLApr 11, 2025
Analyzing 16,193 LLM Papers for Fun and Profits

Zhiqiu Xia, Lang Zhu, Bingzhe Li et al.

Large Language Models (LLMs) are reshaping the landscape of computer science research, driving significant shifts in research priorities across diverse conferences and fields. This study provides a comprehensive analysis of the publication trend of LLM-related papers in 77 top-tier computer science conferences over the past six years (2019-2024). We approach this analysis from four distinct perspectives: (1) We investigate how LLM research is driving topic shifts within major conferences. (2) We adopt a topic modeling approach to identify various areas of LLM-related topic growth and reveal the topics of concern at different conferences. (3) We explore distinct contribution patterns of academic and industrial institutions. (4) We study the influence of national origins on LLM development trajectories. Synthesizing the findings from these diverse analytical angles, we derive ten key insights that illuminate the dynamics and evolution of the LLM research ecosystem.

LGJun 24, 2024
Scalable Artificial Intelligence for Science: Perspectives, Methods and Exemplars

Wesley Brewer, Aditya Kashi, Sajal Dash et al.

In a post-ChatGPT world, this paper explores the potential of leveraging scalable artificial intelligence for scientific discovery. We propose that scaling up artificial intelligence on high-performance computing platforms is essential to address such complex problems. This perspective focuses on scientific use cases like cognitive simulations, large language models for scientific inquiry, medical image analysis, and physics-informed approaches. The study outlines the methodologies needed to address such challenges at scale on supercomputers or the cloud and provides exemplars of such approaches applied to solve a variety of scientific problems.