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Evaluating high-dimensional integrals via deep hierarchical recurrences is a dominant cost in quantum chemistry. While CPUs manage these efficiently, GPUs suffer a critical mismatch: limited per-thread memory is quickly overwhelmed by an…

计算物理 · 物理学 2026-05-14 Yihong Zhang , Xinran Wei , Junshi Chen , Fusong Ju , Wei Hu , Jinlong Yang , Huanhuan Xia

Despite their tremendous success in modelling high-dimensional data manifolds, deep neural networks suffer from the threat of adversarial attacks - Existence of perceptually valid input-like samples obtained through careful perturbation…

计算机视觉与模式识别 · 计算机科学 2019-09-09 Vinay Kyatham , Mayank Mishra , Tarun Kumar Yadav , Deepak Mishra , Prathosh AP

Deep research systems represent an emerging class of agentic information retrieval methods that generate comprehensive and well-supported reports to complex queries. However, most existing frameworks rely on dynamic commercial search APIs,…

Increasing HPC cluster sizes and large-scale simulations that produce petabytes of data per run, create massive IO and storage challenges for analysis. Deep learning-based techniques, in particular, make use of these amounts of domain data…

The rapid expansion in the size of new datasets has created a need for fast and efficient parameter-learning techniques. Compressive learning is a framework that enables efficient processing by using random, non-linear features to project…

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,…

人工智能 · 计算机科学 2025-08-01 Wesley Brewer , Patrick Widener , Valentine Anantharaj , Feiyi Wang , Tom Beck , Arjun Shankar , Sarp Oral

Modern GPU systems are constantly evolving to meet the needs of computing-intensive applications in scientific and machine learning domains. However, there is typically a gap between the hardware capacity and the achievable application…

分布式、并行与集群计算 · 计算机科学 2024-10-02 Gabin Schieffer , Ruimin Shi , Stefano Markidis , Andreas Herten , Jennifer Faj , Ivy Peng

Meta-learning aims to train models that can generalize to new tasks with limited labeled data by extracting shared features across diverse task datasets. Additionally, it accounts for prediction uncertainty during both training and…

机器学习 · 计算机科学 2025-03-03 Hyungi Lee , Chaeyun Jang , Dongbok Lee , Juho Lee

Machine learning offers an intriguing alternative to first-principles analysis for discovering new physics from experimental data. However, to date, purely data-driven methods have only proven successful in uncovering physical laws…

流体动力学 · 物理学 2021-07-14 Patrick A. K. Reinbold , Logan M. Kageorge , Michael F. Schatz , Roman O. Grigoriev

It is always demanding to learn robust visual representation for various learning problems; however, this learning and maintenance process usually suffers from noise, incompleteness or knowledge domain mismatch. Thus, robust representation…

机器学习 · 计算机科学 2020-04-28 Zhengming Ding , Ming Shao , Handong Zhao , Sheng Li

Edge computing and IoT applications are severely constrained by limited hardware resource. This makes memory consuming DNN frameworks not applicable to edge computing. Simple algorithms such as direct convolution are finding their way in…

分布式、并行与集群计算 · 计算机科学 2019-10-17 Xianwei Cheng , Hui Zhao , Mahmut Kandemir , Saraju Mohanty , Beilei Jiang

Scientific inference is often undermined by the vast but rarely explored "multiverse" of defensible modelling choices, which can generate results as variable as the phenomena under study. We introduce RobustiPy, an open-source Python…

统计方法学 · 统计学 2026-05-20 Daniel Valdenegro , Jiani Yan , Duiyi Dai , Charles Rahal

Graph neural networks (GNNs) are conventionally trained on a per-domain, per-task basis. It creates a significant barrier in transferring the acquired knowledge to different, heterogeneous data setups. This paper introduces GraphBridge, a…

机器学习 · 计算机科学 2025-03-04 Li Ju , Xingyi Yang , Qi Li , Xinchao Wang

The rapid rise of scientific machine learning (SciML) has expanded the role of differentiable modeling, surrogate modeling, and data-driven constitutive laws in large-scale simulation. The JAX framework provides an attractive environment…

数学软件 · 计算机科学 2026-04-27 Alberto Cattaneo , M Keith Ballard , Robert M. Kirby , Varun Shankar

As Graph Neural Networks (GNNs) increase in popularity for scientific machine learning, their training and inference efficiency is becoming increasingly critical. Additionally, the deep learning field as a whole is trending towards wider…

机器学习 · 计算机科学 2022-07-21 Ryien Hosseini , Filippo Simini , Venkatram Vishwanath

Integrating symbolic constraints into deep learning models could make them more robust, interpretable, and data-efficient. Still, it remains a time-consuming and challenging task. Existing frameworks like DomiKnowS help this integration by…

人工智能 · 计算机科学 2026-01-05 Aliakbar Nafar , Chetan Chigurupati , Danial Kamali , Hamid Karimian , Parisa Kordjamshidi

In recent years deep neural networks have been successfully applied to the domains of reinforcement learning \cite{bengio2009learning,krizhevsky2012imagenet,hinton2006reducing}. Deep reinforcement learning \cite{mnih2015human} is reported…

机器学习 · 计算机科学 2020-05-19 Huihui Zhang , Wu Huang

The continued growth of the computational capability of throughput processors has made throughput processors the platform of choice for a wide variety of high performance computing applications. Graphics Processing Units (GPUs) are a prime…

硬件体系结构 · 计算机科学 2018-05-01 Rachata Ausavarungnirun

Reinforcement learning (RL) is crucial for data science decision-making but suffers from sample inefficiency, particularly in real-world scenarios with costly physical interactions. This paper introduces a novel human-inspired framework to…

机器学习 · 计算机科学 2024-03-13 Ali Beikmohammadi , Sindri Magnússon

Through many recent successes in simulation, model-free reinforcement learning has emerged as a promising approach to solving continuous control robotic tasks. The research community is now able to reproduce, analyze and build quickly on…

机器学习 · 计算机科学 2018-09-21 A. Rupam Mahmood , Dmytro Korenkevych , Gautham Vasan , William Ma , James Bergstra