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In recent years, tremendous progress has been made on numerical algorithms for solving partial differential equations (PDEs) in a very high dimension, using ideas from either nonlinear (multilevel) Monte Carlo or deep learning. They are…

Numerical Analysis · Mathematics 2021-12-13 Weinan E , Jiequn Han , Arnulf Jentzen

Machine learning algorithms have become increasingly prevalent in multiple domains, such as autonomous driving, healthcare, and finance. In such domains, data preparation remains a significant challenge in developing accurate models,…

Databases · Computer Science 2023-04-27 Mohamed Abdelaal , Rashmi Koparde , Harald Schoening

Scientific machine learning is an emerging field that broadly describes the combination of scientific computing and machine learning to address challenges in science and engineering. Within the context of differential equations, this has…

Machine Learning · Computer Science 2026-04-03 Laurens R. Lueg , Victor Alves , Daniel Schicksnus , John R. Kitchin , Carl D. Laird , Lorenz T. Biegler

Solving analytically intractable partial differential equations (PDEs) that involve at least one variable defined on an unbounded domain arises in numerous physical applications. Accurately solving unbounded domain PDEs requires efficient…

Machine Learning · Computer Science 2026-05-12 Mingtao Xia , Lucas Böttcher , Tom Chou

We further elaborate on the solvability of stochastic partial differential equations (SPDEs). We shall discuss non-autonomous partial differential equations with an abstract realization of the stochastic integral on the right-hand side. Our…

Analysis of PDEs · Mathematics 2018-09-03 Rainer Picard , Sascha Trostorff , Marcus Waurick

Recent work has introduced a simple numerical method for solving partial differential equations (PDEs) with deep neural networks (DNNs). This paper reviews and extends the method while applying it to analyze one of the most fundamental…

Machine Learning · Computer Science 2019-05-14 Craig Michoski , Milos Milosavljevic , Todd Oliver , David Hatch

A rapidly growing area of research is the use of machine learning approaches such as autoencoders for dimensionality reduction of data and models in scientific applications. We show that the canonical formulation of autoencoders suffers…

Machine Learning · Computer Science 2022-07-28 Andrey A. Popov , Arash Sarshar , Austin Chennault , Adrian Sandu

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

Machine learning (ML) has become a vital part in many aspects of our daily life. However, building well performing machine learning applications requires highly specialized data scientists and domain experts. Automated machine learning…

Machine Learning · Computer Science 2021-01-27 Marc-André Zöller , Marco F. Huber

Recent advancements in large language models (LLMs) have shown significant promise in various domains, especially robotics. However, most prior LLM-based work in robotic applications either directly predicts waypoints or applies LLMs within…

Robotics · Computer Science 2025-10-01 Yue Meng , Fei Chen , Yongchao Chen , Chuchu Fan

Partial differential equations (PDEs) are central to scientific modeling. Modern workflows increasingly rely on learning-based components to support model reuse, inference, and integration across large computational processes. Despite the…

Machine Learning · Computer Science 2026-02-20 Yilong Dai , Shengyu Chen , Ziyi Wang , Xiaowei Jia , Yiqun Xie , Vipin Kumar , Runlong Yu

Identifying parameters in partial differential equations (PDEs) represents a very broad class of applied inverse problems. In recent years, several unsupervised learning approaches using (deep) neural networks have been developed to solve…

Numerical Analysis · Mathematics 2025-08-22 Siyu Cen , Bangti Jin , Qimeng Quan , Zhi Zhou

Solving partial differential equations (PDEs) with machine learning has recently attracted great attention, as PDEs are fundamental tools for modeling real-world systems that range from fundamental physical science to advanced engineering…

Machine Learning · Computer Science 2025-05-26 Changfan Yang , Lichen Bai , Yinpeng Wang , Shufei Zhang , Zeke Xie

Traditional, numerical discretization-based solvers of partial differential equations (PDEs) are fundamentally agnostic to domains, boundary conditions and coefficients. In contrast, machine learnt solvers have a limited generalizability…

Numerical Analysis · Mathematics 2023-02-01 Xiaoxuan Zhang , Krishna Garikipati

Coding agents powered by large language models (LLMs) have gained traction for automating code generation through iterative problem-solving with minimal human involvement. Despite the emergence of various frameworks, e.g., LangChain,…

Machine Learning · Computer Science 2025-08-19 Junpeng Wang , Yuzhong Chen , Menghai Pan , Chin-Chia Michael Yeh , Mahashweta Das

One of the main challenges in solving time-dependent partial differential equations is to develop computationally efficient solvers that are accurate and stable. Here, we introduce a graph neural network approach to finding efficient PDE…

Machine Learning · Computer Science 2022-04-19 Pourya Pilva , Ahmad Zareei

Machine learning applications often require hyperparameter tuning. The hyperparameters usually drive both the efficiency of the model training process and the resulting model quality. For hyperparameter tuning, machine learning algorithms…

Machine Learning · Computer Science 2018-08-06 Patrick Koch , Oleg Golovidov , Steven Gardner , Brett Wujek , Joshua Griffin , Yan Xu

In the high-cost simulation-driven design domain, translating ambiguous design requirements into a mathematical optimization formulation is a bottleneck for optimizing product performance. This process is time-consuming and heavily reliant…

Computation and Language · Computer Science 2026-04-14 Yuchen Li , Handing Wang , Bing Xue , Mengjie Zhang , Yaochu Jin

Deriving governing equations in Electromagnetic (EM) environment based on first principles can be quite tough when there are some unknown sources of noise and other uncertainties in the system. For nonlinear multiple-physics electromagnetic…

Computational Physics · Physics 2019-10-31 Bing Xiong , Haiyang Fu , Feng Xu , Yaqiu Jin

Finite element (FE) analysis guides the design and verification of nearly all manufactured objects. It is at the core of computational engineering, enabling simulation of complex physical systems, from fluids and solids to multiphysics…

Computational Engineering, Finance, and Science · Computer Science 2026-04-15 Rushikesh Deotale , Adithya Srinivasan , Yuan Tian , Tianyi Zhang , Pavlos Vlachos , Hector Gomez