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We introduce AutoSpec, a neural network framework for discovering iterative spectral algorithms for large-scale numerical linear algebra and numerical optimization. Our self-supervised models adapt to input operators using coarse spectral…

Machine Learning · Computer Science 2026-02-11 Zihang Liu , Oleg Balabanov , Yaoqing Yang , Michael W. Mahoney

Physics-informed deep learning often faces optimization challenges due to the complexity of solving partial differential equations (PDEs), which involve exploring large solution spaces, require numerous iterations, and can lead to unstable…

Automated machine learning (AutoML) aims to find optimal machine learning solutions automatically given a machine learning problem. It could release the burden of data scientists from the multifarious manual tuning process and enable the…

Machine Learning · Computer Science 2019-07-23 Yi-Wei Chen , Qingquan Song , Xia Hu

We present a solver-agnostic framework in which coordinated large language model (LLM) agents autonomously execute the complete computational mechanics workflow, from perceptual data of an engineering component through geometry extraction,…

Computational Engineering, Finance, and Science · Computer Science 2026-04-14 Daniel N. Wilke

We present a general and automated approach for computing model gradients for PDE solvers built on sparse spectral methods, and implement this capability in the widely used open-source Dedalus framework. We apply reverse-mode automatic…

Numerical Analysis · Mathematics 2026-04-15 Calum S. Skene , Keaton J. Burns

The increasing adoption of neural networks in learning-augmented systems highlights the importance of model safety and robustness, particularly in safety-critical domains. Despite progress in the formal verification of neural networks,…

Machine Learning · Computer Science 2024-10-25 Shuowei Jin , Francis Y. Yan , Cheng Tan , Anuj Kalia , Xenofon Foukas , Z. Morley Mao

Democratization of machine learning requires architectures that automatically adapt to new problems. Neural Differential Equations (NDEs) have emerged as a popular modeling framework by removing the need for ML practitioners to choose the…

Machine Learning · Computer Science 2022-02-08 Avik Pal , Yingbo Ma , Viral Shah , Christopher Rackauckas

The "end-to-end" label for LLMs is a misnomer. In practice, they depend on a non-differentiable decoding process that requires laborious, hand-tuning of hyperparameters like temperature and top-p. This paper introduces AutoDeco, a novel…

Computation and Language · Computer Science 2025-11-03 Zhichao Wang , Dongyang Ma , Xinting Huang , Deng Cai , Tian Lan , Jiahao Xu , Haitao Mi , Xiaoying Tang , Yan Wang

Recent advancements in large language models (LLMs) have significantly advanced the automation of software development tasks, including code synthesis, program repair, and test generation. More recently, researchers and industry…

Software Engineering · Computer Science 2024-10-30 Chunqiu Steven Xia , Yinlin Deng , Soren Dunn , Lingming Zhang

Large language models (LLMs) become increasingly integrated into data science workflows for automated system design. However, these LLM-driven data science systems rely solely on the internal reasoning of LLMs, lacking guidance from…

Artificial Intelligence · Computer Science 2025-10-30 Yunxuan Jiang , Silan Hu , Xiaoning Wang , Yuanyuan Zhang , Xiangyu Chang

Differential-elimination algorithms apply a finite number of differentiations and eliminations to systems of partial differential equations. For systems that are polynomially nonlinear with rational number coefficients, they guarantee the…

Symbolic Computation · Computer Science 2024-10-17 Siyuan Deng , Michelle Hatzel , Gregory Reid , Wenqiang Yang , Wenyuan Wu

LLMs have made significant progress in complex but easy-to-verify problems, yet they still struggle with discovering the unknown. In this paper, we present \textbf{AlphaResearch}, an autonomous research agent designed to discover new…

Computation and Language · Computer Science 2026-04-02 Zhaojian Yu , Kaiyue Feng , Yilun Zhao , Shilin He , Xiao-Ping Zhang , Arman Cohan

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

Algorithms are presented for the tanh- and sech-methods, which lead to closed-form solutions of nonlinear ordinary and partial differential equations (ODEs and PDEs). New algorithms are given to find exact polynomial solutions of ODEs and…

Exactly Solvable and Integrable Systems · Physics 2007-05-23 D. Baldwin , U. Goktas , W. Hereman , L. Hong , R. S. Martino , J. Miller

Many physical processes such as weather phenomena or fluid mechanics are governed by partial differential equations (PDEs). Modelling such dynamical systems using Neural Networks is an active research field. However, current methods are…

Machine Learning · Computer Science 2022-10-12 Andrzej Dulny , Andreas Hotho , Anna Krause

We combine concepts from multilevel solvers for partial differential equations (PDEs) with neural network based deep learning and propose a new methodology for the efficient numerical solution of high-dimensional parametric PDEs. An…

Machine Learning · Computer Science 2023-04-05 Cosmas Heiß , Ingo Gühring , Martin Eigel

This paper introduces a novel Large Language Models (LLMs)-assisted agent that automatically converts natural-language descriptions of power system optimization scenarios into compact, solver-ready formulations and generates corresponding…

Artificial Intelligence · Computer Science 2025-08-12 Yunkai Hu , Tianqiao Zhao , Meng Yue

The combination of Monte Carlo methods and deep learning has recently led to efficient algorithms for solving partial differential equations (PDEs) in high dimensions. Related learning problems are often stated as variational formulations…

Machine Learning · Computer Science 2022-08-08 Lorenz Richter , Julius Berner

Differential equation models are crucial to scientific processes. The values of model parameters are important for analyzing the behaviour of solutions. A parameter is called globally identifiable if its value can be uniquely determined…

Quantitative Methods · Quantitative Biology 2024-02-07 Helen Byrne , Heather Harrington , Alexey Ovchinnikov , Gleb Pogudin , Hamid Rahkooy , Pedro Soto

Issue resolution, a complex Software Engineering (SWE) task integral to real-world development, has emerged as a compelling challenge for artificial intelligence. The establishment of benchmarks like SWE-bench revealed this task as…

Software Engineering · Computer Science 2026-01-21 Caihua Li , Lianghong Guo , Yanlin Wang , Daya Guo , Wei Tao , Zhenyu Shan , Mingwei Liu , Jiachi Chen , Haoyu Song , Duyu Tang , Hongyu Zhang , Zibin Zheng
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