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Pharmaceutical patents play a vital role in biochemical industries, especially in drug discovery, providing researchers with unique early access to data, experimental results, and research insights. With the advancement of machine learning,…

Machine Learning · Computer Science 2024-10-30 Xin Wang , Yifan Zhang , Xiaojing Zhang , Longhui Yu , Xinna Lin , Jindong Jiang , Bin Ma , Kaicheng Yu

Finite Element Analysis (FEA) serves as the cornerstone of modern engineering design. However, its workflow is inherently complex and relies heavily on domain expertise. Although recent efforts have integrated Large Language Models (LLMs)…

Artificial Intelligence · Computer Science 2026-05-29 Jiachen Zhang , Junyi Lao , Chenghao Liu , Siyuan Liu , Shixin Wu , Linsen Zhang , Boyu Wang , Songfang Huang

Within recent years, considerable progress has been made regarding high-performance solvers for Partial Differential Equations (PDEs), yielding potential gains in efficiency compared to industry standard tools. However, the latter largely…

Numerical Analysis · Mathematics 2024-02-20 Patrick Zimbrod , Michael Fleck , Johannes Schilp

As a fundamental mathmatical tool in many engineering disciplines, coupled differential equation groups are being widely used to model complex structures containing multiple physical quantities. Engineers constantly adjust structural…

Machine Learning · Computer Science 2023-06-26 Wenhao Ding , Qing He , Hanghang Tong , Qingjing Wang , Ping Wang

Physics-informed neural networks (PINNs) have recently become a powerful tool for solving partial differential equations (PDEs). However, finding a set of neural network parameters that lead to fulfilling a PDE can be challenging and…

Machine Learning · Computer Science 2023-04-12 Aleksandr Dekhovich , Marcel H. F. Sluiter , David M. J. Tax , Miguel A. Bessa

Physics-informed neural networks (PINNs) have been proposed to learn the solution of partial differential equations (PDE). In PINNs, the residual form of the PDE of interest and its boundary conditions are lumped into a composite objective…

Computational Physics · Physics 2022-05-24 Shamsulhaq Basir , Inanc Senocak

We present a new analytical and numerical framework for solution of Partial Differential Equations (PDEs) that is based on an exact transformation that moves the boundary constraints into the dynamics of the corresponding governing…

Numerical Analysis · Mathematics 2023-02-14 Yulia T. Peet , Matthew M. Peet

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

Large Language Models (LLMs) excel in traditional natural language processing tasks but struggle with problems that require complex domain-specific calculations or simulations. While equipping LLMs with external tools to build LLM-based…

Software Engineering · Computer Science 2025-06-11 Bohan Lyu , Xin Cong , Heyang Yu , Pan Yang , Yujia Qin , Yining Ye , Yaxi Lu , Zhong Zhang , Yukun Yan , Yankai Lin , Zhiyuan Liu , Maosong Sun

Machine learning, especially physics-informed neural networks (PINNs) and their neural network variants, has been widely used to solve problems involving partial differential equations (PDEs). The successful deployment of such methods…

Machine Learning · Computer Science 2026-04-07 Genwei Ma , Ting Luo , Ping Yang , Xing Zhao

In this work, we study physics-informed neural networks (PINNs) constrained by partial differential equations (PDEs) and their application in approximating PDEs with two characteristic scales. From a continuous perspective, our formulation…

Optimization and Control · Mathematics 2024-09-06 Michael Hintermüller , Denis Korolev

To fully leverage the potential of artificial intelligence (AI) systems in a trustworthy manner, it is desirable to couple multiple AI and non-AI systems together seamlessly for constraining and ensuring correctness of the output. This…

Computation and Language · Computer Science 2025-06-02 Atanu Barai , Stephan Eidenbenz , Nandakishore Santhi

Recently, a lot of papers proposed to use neural networks to approximately solve partial differential equations (PDEs). Yet, there has been a lack of flexible framework for convenient experimentation. In an attempt to fill the gap, we…

Machine Learning · Computer Science 2019-09-26 Alexander Koryagin , Roman Khudorozkov , Sergey Tsimfer

Large Language Models (LLMs) have shown impressive capabilities in downstream software engineering tasks such as Automated Program Repair (APR). In particular, there has been a lot of research on repository-level issue-resolution benchmarks…

Software Engineering · Computer Science 2025-06-23 Anvith Pabba , Alex Mathai , Anindya Chakraborty , Baishakhi Ray

Physics-informed neural networks (PINNs) are an increasingly powerful way to solve partial differential equations, generate digital twins, and create neural surrogates of physical models. In this manuscript we detail the inner workings of…

Large Language Models (LLMs) like GPT-4 have revolutionized natural language processing, showing remarkable linguistic proficiency and reasoning capabilities. However, their application in strategic multi-agent decision-making environments…

Computation and Language · Computer Science 2024-05-29 Chuanhao Li , Runhan Yang , Tiankai Li , Milad Bafarassat , Kourosh Sharifi , Dirk Bergemann , Zhuoran Yang

Recent research has used deep learning to develop partial differential equation (PDE) models in science and engineering. The functional form of the PDE is determined by a neural network, and the neural network parameters are calibrated to…

Machine Learning · Computer Science 2023-10-17 Justin Sirignano , Jonathan MacArt , Konstantinos Spiliopoulos

Modeling complex dynamical systems with only partial knowledge of their physical mechanisms is a crucial problem across all scientific and engineering disciplines. Purely data-driven approaches, which only make use of an artificial neural…

Fluid Dynamics · Physics 2023-10-04 Nilam Tathawadekar , Nguyen Anh Khoa Doan , Camilo F. Silva , Nils Thuerey

Human cognitive development is shaped not only by individual effort but by structured social interaction, where role-based exchanges such as those between a tutor and a learner, enable solutions that neither could achieve alone. Inspired by…

Artificial Intelligence · Computer Science 2026-04-13 Nurullah Eymen Özdemir , Erhan Oztop

Spatiotemporal partial differential equations (PDEs) underpin a wide range of scientific and engineering applications. Neural PDE solvers offer a promising alternative to classical numerical methods. However, existing approaches typically…

Machine Learning · Computer Science 2026-03-03 Yingjie Tan , Quanming Yao , Yaqing Wang