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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

JAX-Privacy is a library designed to simplify the deployment of robust and performant mechanisms for differentially private machine learning. Guided by design principles of usability, flexibility, and efficiency, JAX-Privacy serves both…

We present a feasibility-seeking approach to neural network training. This mathematical optimization framework is distinct from conventional gradient-based loss minimization and uses projection operators and iterative projection algorithms.…

Machine Learning · Computer Science 2026-05-18 Andreas Bergmeister , Manish Krishan Lal , Stefanie Jegelka , Suvrit Sra

Engineering structures are increasingly designed using numerical optimisation. However, traditional optimisation methods can be challenging with multiple objectives and many parameters. In machine learning, stable training of artificial…

Computational Engineering, Finance, and Science · Computer Science 2026-04-24 James Hipperson , Jonathan Hargreaves , Trevor Cox

The rapid rise of scientific machine learning (SciML) has expanded the role of differentiable modeling, surrogate modeling, and data-driven constitutive laws in large-scale simulation. The JAX framework provides an attractive environment…

Mathematical Software · Computer Science 2026-04-27 Alberto Cattaneo , M Keith Ballard , Robert M. Kirby , Varun Shankar

Differentiating through constrained optimization problems is increasingly central to learning, control, and large-scale decision-making systems, yet practical integration remains challenging due to solver specialization and interface…

Gradients of neural networks can be computed efficiently for any architecture, but some applications require differential operators with higher time complexity. We describe a family of restricted neural network architectures that allow…

Machine Learning · Computer Science 2019-12-10 Ricky T. Q. Chen , David Duvenaud

Neural operators have been applied in various scientific fields, such as solving parametric partial differential equations, dynamical systems with control, and inverse problems. However, challenges arise when dealing with input functions…

Numerical Analysis · Mathematics 2023-10-31 Zecheng Zhang , Christian Moya , Lu Lu , Guang Lin , Hayden Schaeffer

Neural networks are discrete entities: subdivided into discrete layers and parametrized by weights which are iteratively optimized via difference equations. Recent work proposes networks with layer outputs which are no longer quantized but…

Neural and Evolutionary Computing · Computer Science 2019-09-09 Stefano Massaroli , Michael Poli , Federico Califano , Angela Faragasso , Jinkyoo Park , Atsushi Yamashita , Hajime Asama

Differentiable numerical simulations of physical systems have gained rising attention in the past few years with the development of automatic differentiation tools. This paper presents JAX-SSO, a differentiable finite element analysis…

Mathematical Software · Computer Science 2024-07-30 Gaoyuan Wu

Solving Partial Differential Equation (PDE) interface problems on varying domains is a critical task in design and optimization, yet it remains computationally prohibitive for traditional solvers. Although operator learning has shown…

Numerical Analysis · Mathematics 2026-04-07 Shanshan Xiao , Ye Li , Zhongyi Huang , Hao Wu

Modal methods for simulating vibrations of strings, membranes, and plates are widely used in acoustics and physically informed audio synthesis. However, traditional implementations, particularly for non-linear models like the von K\'arm\'an…

Sound · Computer Science 2025-05-27 Rodrigo Diaz , Mark Sandler

We develop a new and general encode-approximate-reconstruct operator learning model that leverages learned neural representations of bases for input and output function distributions. We introduce the concepts of \textit{numerical operator…

Machine Learning · Computer Science 2025-07-11 Jacob Hauck , Yanzhi Zhang

This article aims to demonstrate and discuss the applications of automatic differentiation (AD) for finding derivatives in PDE-constrained optimization problems and Jacobians in non-linear finite element analysis. The main idea is to…

Numerical Analysis · Mathematics 2025-06-03 Julian Andrej , Tzanio Kolev , Boyan Lazarov

Machine learning pipelines often rely on optimization procedures to make discrete decisions (e.g., sorting, picking closest neighbors, or shortest paths). Although these discrete decisions are easily computed, they break the…

Machine Learning · Computer Science 2020-06-11 Quentin Berthet , Mathieu Blondel , Olivier Teboul , Marco Cuturi , Jean-Philippe Vert , Francis Bach

Neural network quantization has become an important research area due to its great impact on deployment of large models on resource constrained devices. In order to train networks that can be effectively discretized without loss of…

Machine Learning · Computer Science 2018-10-05 Christos Louizos , Matthias Reisser , Tijmen Blankevoort , Efstratios Gavves , Max Welling

We demonstrate a practical differentiable programming approach for acoustic inverse problems through two applications: admittance estimation and shape optimization for resonance damping. First, we show that JAX-FEM's automatic…

Machine Learning · Computer Science 2025-11-17 Nikolas Borrel-Jensen , Josiah Bjorgaard

Primal-Dual Interior-Point methods are capable of solving constrained convex optimization problems to tight tolerances in a fast and robust manner. The derivatives of the primal-dual solution with respect to the problem matrices can be…

Optimization and Control · Mathematics 2024-06-21 Kevin Tracy , Zachary Manchester

Learning underlying dynamics from data is important and challenging in many real-world scenarios. Incorporating differential equations (DEs) to design continuous networks has drawn much attention recently, however, most prior works make…

Machine Learning · Computer Science 2023-02-03 Yesom Park , Jaemoo Choi , Changyeon Yoon , Chang hoon Song , Myungjoo Kang

We present a generalized version of the discretization-invariant neural operator and prove that the network is a universal approximation in the operator sense. Moreover, by incorporating additional terms in the architecture, we establish a…

Numerical Analysis · Mathematics 2023-07-20 Zecheng Zhang , Wing Tat Leung , Hayden Schaeffer
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