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Machine learning methods are increasingly used to build computationally inexpensive surrogates for complex physical models. The predictive capability of these surrogates suffers when data are noisy, sparse, or time-dependent. As we are…

Machine Learning · Computer Science 2024-05-20 A. Diaw , M. McKerns , I. Sagert , L. G. Stanton , M. S. Murillo

For many novel applications, such as patient-specific computer-aided surgery, conventional solution techniques of the underlying nonlinear problems are usually computationally too expensive and are lacking information about how certain can…

Machine Learning · Computer Science 2022-07-18 Saurabh Deshpande , Jakub Lengiewicz , Stéphane P. A. Bordas

The development of efficient surrogates for partial differential equations (PDEs) is a critical step towards scalable modeling of complex, multiscale systems-of-systems. Convolutional neural networks (CNNs) have gained popularity as the…

Machine Learning · Computer Science 2025-06-04 Adrienne M. Propp , Daniel M. Tartakovsky

Continuous-time deep learning models, such as neural ordinary differential equations (ODEs), offer a promising framework for surrogate modeling of complex physical systems. A central challenge in training these models lies in learning…

Machine Learning · Computer Science 2025-07-30 Haley Rosso , Lars Ruthotto , Khachik Sargsyan

High-performance scientific simulations, important for comprehension of complex systems, encounter computational challenges especially when exploring extensive parameter spaces. There has been an increasing interest in developing deep…

Machine Learning · Computer Science 2024-07-15 Pradeep Bajracharya , Javier Quetzalcóatl Toledo-Marín , Geoffrey Fox , Shantenu Jha , Linwei Wang

Learning time-dependent partial differential equations (PDEs) that govern evolutionary observations is one of the core challenges for data-driven inference in many fields. In this work, we propose to capture the essential dynamics of…

Numerical Analysis · Mathematics 2021-09-07 Ricardo A. Delgadillo , Jingwei Hu , Haizhao Yang

Solving time-dependent Partial Differential Equations (PDEs) using a densely discretized spatial domain is a fundamental problem in various scientific and engineering disciplines, including modeling climate phenomena and fluid dynamics.…

Machine Learning · Computer Science 2025-10-24 Jan Hagnberger , Daniel Musekamp , Mathias Niepert

Accelerating the learning of Partial Differential Equations (PDEs) from experimental data will speed up the pace of scientific discovery. Previous randomized algorithms exploit sparsity in PDE updates for acceleration. However such methods…

Machine Learning · Computer Science 2023-09-15 Md Nasim , Yexiang Xue

We propose a deep neural network (DNN) as a fast surrogate model for local stress (and in principle strain) calculation in inhomogeneous non-linear material systems. We show that the DNN predicts the local stresses with about 3.8% mean…

Materials Science · Physics 2021-03-17 Jaber Rezaei Mianroodi , Nima H. Siboni , Dierk Raabe

This study focuses on the development of a simulation-driven reinforcement learning (RL) framework for optimizing routing decisions in complex queueing network systems, with a particular emphasis on manufacturing and communication…

Artificial Intelligence · Computer Science 2025-07-28 Fatima Al-Ani , Molly Wang , Jevon Charles , Aaron Ong , Joshua Forday , Vinayak Modi

Unveiling the underlying governing equations of nonlinear dynamic systems remains a significant challenge. Insufficient prior knowledge hinders the determination of an accurate candidate library, while noisy observations lead to imprecise…

Machine Learning · Computer Science 2024-04-30 Mengge Du , Yuntian Chen , Longfeng Nie , Siyu Lou , Dongxiao Zhang

Adapting large language models (LLMs) via reinforcement learning (RL) is often bottlenecked by the generation stage, which can consume over 75\% of the training time. Speculative decoding (SD) accelerates autoregressive generation in…

Machine Learning · Computer Science 2025-10-31 Qiaoling Chen , Zijun Liu , Peng Sun , Shenggui Li , Guoteng Wang , Ziming Liu , Yonggang Wen , Siyuan Feng , Tianwei Zhang

In distributed optimization, the practical problem-solving performance is essentially sensitive to algorithm selection, parameter setting, problem type and data pattern. Thus, it is often laborious to acquire a highly efficient method for a…

Optimization and Control · Mathematics 2024-01-04 Daokuan Zhu , Tianqi Xu , Jie Lu

Recent advances in reinforcement learning (RL) have substantially improved the training of large-scale language models, leading to significant gains in generation quality and reasoning ability. However, most existing research focuses on…

Machine Learning · Computer Science 2026-01-13 Di Zhang , Xun Wu , Shaohan Huang , Lingjie Jiang , Yaru Hao , Li Dong , Zewen Chi , Zhifang Sui , Furu Wei

Despite the potential of reinforcement learning (RL) for building general-purpose robotic systems, training RL agents to solve robotics tasks still remains challenging due to the difficulty of exploration in purely continuous action spaces.…

Machine Learning · Computer Science 2021-10-29 Murtaza Dalal , Deepak Pathak , Ruslan Salakhutdinov

Sparse regression on a library of candidate features has developed as the prime method to discover the partial differential equation underlying a spatio-temporal data-set. These features consist of higher order derivatives, limiting model…

Machine Learning · Computer Science 2021-05-05 Gert-Jan Both , Gijs Vermarien , Remy Kusters

Reinforcement Learning (RL) is increasingly applied to large-scale decision-making problems like logistics, scheduling, and recommender systems, but existing algorithms struggle with the curse of dimensionality in such large discrete action…

Machine Learning · Computer Science 2026-05-12 Heiko Hoppe , Fabian Akkerman , Wouter van Heeswijk , Maximilian Schiffer

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude…

Machine Learning · Computer Science 2022-07-26 Björn Lütjens , Catherine H. Crawford , Campbell D Watson , Christopher Hill , Dava Newman

Ensuring reliability in modern software systems requires rigorous pre-production testing across highly heterogeneous and evolving environments. Because exhaustive evaluation is infeasible, practitioners must decide how to allocate limited…

Software Engineering · Computer Science 2025-10-08 Yu Zhu

Solving high-dimensional partial differential equations (PDEs) is a critical challenge where modern data-driven solvers often lack reliability and rigorous error guarantees. We introduce Simulation-Calibrated Scientific Machine Learning…

Numerical Analysis · Mathematics 2025-12-25 Zexi Fan , Yan Sun , Shihao Yang , Yiping Lu