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Automatic differentiation (AD) is a technique for computing the derivative of a function represented by a program. This technique is considered as the de-facto standard for computing the differentiation in many machine learning and…

Programming Languages · Computer Science 2022-12-21 Amir Shaikhha , Mathieu Huot , Shabnam Ghasemirad , Andrew Fitzgibbon , Simon Peyton Jones , Dimitrios Vytiniotis

Many engineering problems involve learning hidden dynamics from indirect observations, where the physical processes are described by systems of partial differential equations (PDE). Gradient-based optimization methods are considered…

Numerical Analysis · Mathematics 2019-12-17 Kailai Xu , Dongzhuo Li , Eric Darve , Jerry M. Harris

Despite their ubiquity throughout science and engineering, only a handful of partial differential equations (PDEs) have analytical, or closed-form solutions. This motivates a vast amount of classical work on numerical simulation of PDEs and…

Numerical discretisations of partial differential equations (PDEs) can be written as discrete convolutions, which, themselves, are a key tool in AI libraries and used in convolutional neural networks (CNNs). We therefore propose to…

Fluid Dynamics · Physics 2025-11-06 Boyang Chen , Claire E. Heaney , Christopher C. Pain

We study the problem of learning differentiable functions expressed as programs in a domain-specific language. Such programmatic models can offer benefits such as composability and interpretability; however, learning them requires…

Machine Learning · Computer Science 2021-03-30 Ameesh Shah , Eric Zhan , Jennifer J. Sun , Abhinav Verma , Yisong Yue , Swarat Chaudhuri

Sparse tensors are prevalent in many data-intensive applications, yet existing differentiable programming frameworks are tailored towards dense tensors. This presents a significant challenge for efficiently computing gradients through…

Programming Languages · Computer Science 2023-03-14 Amir Shaikhha , Mathieu Huot , Shideh Hashemian

Partial differential equations (PDEs) underpin the modeling of many natural and engineered systems. It can be convenient to express such models as neural PDEs rather than using traditional numerical PDE solvers by replacing part or all of…

Machine Learning · Computer Science 2025-09-26 Sanket Jantre , Deepak Akhare , Zhiyuan Wang , Xiaoning Qian , Nathan M. Urban

Recently, researchers have utilized neural networks to accurately solve partial differential equations (PDEs), enabling the mesh-free method for scientific computation. Unfortunately, the network performance drops when encountering a high…

Machine Learning · Computer Science 2021-09-29 Pongpisit Thanasutives , Masayuki Numao , Ken-ichi Fukui

We have developed a novel differential equation solver software called PND based on the physics-informed neural network for molecular dynamics simulators. Based on automatic differentiation technique provided by Pytorch, our software allows…

We present DiffTaichi, a new differentiable programming language tailored for building high-performance differentiable physical simulators. Based on an imperative programming language, DiffTaichi generates gradients of simulation steps…

Machine Learning · Computer Science 2020-02-17 Yuanming Hu , Luke Anderson , Tzu-Mao Li , Qi Sun , Nathan Carr , Jonathan Ragan-Kelley , Frédo Durand

We introduce JAX MD, a software package for performing differentiable physics simulations with a focus on molecular dynamics. JAX MD includes a number of physics simulation environments, as well as interaction potentials and neural networks…

Computational Physics · Physics 2020-12-04 Samuel S. Schoenholz , Ekin D. Cubuk

Differentiable physics is a powerful approach to learning and control problems that involve physical objects and environments. While notable progress has been made, the capabilities of differentiable physics solvers remain limited. We…

Machine Learning · Computer Science 2020-07-07 Yi-Ling Qiao , Junbang Liang , Vladlen Koltun , Ming C. Lin

We propose a framework for training neural networks that are coupled with partial differential equations (PDEs) in a parallel computing environment. Unlike most distributed computing frameworks for deep neural networks, our focus is to…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-25 Kailai Xu , Weiqiang Zhu , Eric Darve

Recent years have witnessed a growth in mathematics for deep learning--which seeks a deeper understanding of the concepts of deep learning with mathematics and explores how to make it more robust--and deep learning for mathematics, where…

Machine Learning · Computer Science 2023-10-31 Derick Nganyu Tanyu , Jianfeng Ning , Tom Freudenberg , Nick Heilenkötter , Andreas Rademacher , Uwe Iben , Peter Maass

Identifying optimal thermodynamical processes has been the essence of thermodynamics since its inception. Here, we show that differentiable programming (DP), a machine learning (ML) tool, can be employed to optimize finite-time…

Quantum Physics · Physics 2022-03-24 Ilia Khait , Juan Carrasquilla , Dvira Segal

To solve nonlinear partial differential equations (PDEs) is one of the most common but important tasks in not only basic sciences but also many practical industries. We here propose a quantum variational (QuVa) PDE solver with the aid of…

Quantum Physics · Physics 2021-09-21 Jaewoo Joo , Hyungil Moon

Differential machine learning (DML) is a recently proposed technique that uses samplewise state derivatives to regularize least square fits to learn conditional expectations of functionals of stochastic processes as functions of state…

Computational Finance · Quantitative Finance 2023-02-21 Arun Kumar Polala , Bernhard Hientzsch

Automatic differentiation represents a paradigm shift in scientific programming, where evaluating both functions and their derivatives is required for most applications. By removing the need to explicitly derive expressions for gradients,…

Chemical Physics · Physics 2022-06-29 Muhammad F. Kasim , Susi Lehtola , Sam M. Vinko

Robot design optimization, imitation learning and system identification share a common problem which requires optimization over robot or task parameters at the same time as optimizing the robot motion. To solve these problems, we can use…

Robotics · Computer Science 2022-09-05 Traiko Dinev , Carlos Mastalli , Vladimir Ivan , Steve Tonneau , Sethu Vijayakumar

Deep learning has seen tremendous success over the past decade in computer vision, machine translation, and gameplay. This success rests in crucial ways on gradient-descent optimization and the ability to learn parameters of a neural…

Machine Learning · Computer Science 2019-08-30 Fei Wang , Daniel Zheng , James Decker , Xilun Wu , Grégory M. Essertel , Tiark Rompf