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Rapid advances in deep learning have brought not only myriad powerful neural networks, but also breakthroughs that benefit established scientific research. In particular, automatic differentiation (AD) tools and computational accelerators…

Instrumentation and Methods for Astrophysics · Physics 2024-02-13 Yin Li , Chirag Modi , Drew Jamieson , Yucheng Zhang , Libin Lu , Yu Feng , François Lanusse , Leslie Greengard

The Alternating Direction Method of Multipliers (ADMM) has been studied for years. The traditional ADMM algorithm needs to compute, at each iteration, an (empirical) expected loss function on all training examples, resulting in a…

Machine Learning · Statistics 2014-06-10 Peilin Zhao , Jinwei Yang , Tong Zhang , Ping Li

Shape optimization approaches to inverse design offer low-dimensional, physically-guided parameterizations of structures by representing them as combinations of shape primitives. However, on discretized rectilinear simulation grids,…

Computational Engineering, Finance, and Science · Computer Science 2023-11-13 Sean Hooten , Peng Sun , Liron Gantz , Marco Fiorentino , Raymond G. Beausoleil , Thomas Van Vaerenbergh

Stencil computations represent a very common class of nested loops in scientific and engineering applications. Exploiting vector units in modern CPUs is crucial to achieving peak performance. Previous vectorization approaches often consider…

Mathematical Software · Computer Science 2020-10-13 Liang Yuan , Hang Cao , Yunquan Zhang , Kun Li , Pengqi Lu , Yue Yue

Many real-world optimization models contain exploitable sparsity and block structure, but this structure is often obscured in algebraic form, limiting the effectiveness of modern parallel algorithms. We propose an automatic pipeline that…

Optimization and Control · Mathematics 2026-03-23 Kaizhao Sun , Baihao Wu , Kun Yuan , Wotao Yin

Automatic Differentiation (AD) is a powerful tool that allows calculating derivatives of implemented algorithms with respect to all of their parameters up to machine precision, without the need to explicitly add any additional functions.…

Chemical Physics · Physics 2020-06-23 Teresa Tamayo-Mendoza , Christoph Kreisbeck , Roland Lindh , Alán Aspuru-Guzik

Partial differential equations (PDEs) are crucial in modeling diverse phenomena across scientific disciplines, including seismic and medical imaging, computational fluid dynamics, image processing, and neural networks. Solving these PDEs at…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-07 George Bisbas , Rhodri Nelson , Mathias Louboutin , Fabio Luporini , Paul H. J. Kelly , Gerard Gorman

The increasing size of deep learning models has made distributed training across multiple devices essential. However, current methods such as distributed data-parallel training suffer from large communication and synchronization overheads…

Machine Learning · Computer Science 2025-02-10 Cabrel Teguemne Fokam , Khaleelulla Khan Nazeer , Lukas König , David Kappel , Anand Subramoney

Stochastic optimization algorithms using exponential moving averages of the past gradients, such as ADAM, RMSProp and AdaGrad, have been having great successes in many applications, especially in training deep neural networks. ADAM in…

Machine Learning · Computer Science 2026-01-30 Ruiqi Wang , Diego Klabjan

Imaging Earth structure or seismic sources from seismic data involves minimizing a target misfit function, and is commonly solved through gradient-based optimization. The adjoint-state method has been developed to compute the gradient…

Computational Physics · Physics 2021-04-28 Weiqiang Zhu , Kailai Xu , Eric Darve , Gregory C. Beroza

This study presents a novel model for invertible sentence embeddings using a residual recurrent network trained on an unsupervised encoding task. Rather than the probabilistic outputs common to neural machine translation models, our…

Computation and Language · Computer Science 2023-04-07 Jeremy Wilkerson

We introduce a novel class of finite difference approximations, termed zigzag schemes, that employ a hybrid stencil that is neither symmetrical, nor fully one-sided. These zigzag schemes often enjoy more permissive stability constraints and…

Numerical Analysis · Mathematics 2025-05-26 Lorenzo Poggioni , Didier Clamond , Yves D'Angelo

Many problems in Physics and Chemistry are formulated as the minimization of a functional. Therefore, methods for solving these problems typically require differentiating maps whose input and/or output are functions -- commonly referred to…

Mathematical Software · Computer Science 2024-06-25 Kangbo Li , Anil Damle

Algorithmic Differentiation (AD) can be used to automate the generation of derivatives in arbitrary software projects. This will generate maintainable derivatives, that are always consistent with the computation of the software. If a domain…

Mathematical Software · Computer Science 2018-03-13 Max Sagebaum , Nicolas R. Gauger

We propose both serial and parallel proximal (linearized) alternating direction method of multipliers (ADMM) algorithms for training residual neural networks. In contrast to backpropagation-based approaches, our methods inherently mitigate…

Machine Learning · Computer Science 2025-04-01 Jintao Xu , Yifei Li , Wenxun Xing

Automatic differentiation, as implemented today, does not have a simple mathematical model adapted to the needs of modern machine learning. In this work we articulate the relationships between differentiation of programs as implemented in…

Machine Learning · Computer Science 2020-10-30 Jerome Bolte , Edouard Pauwels

Differentiable programming is the combination of classical neural networks modules with algorithmic ones in an end-to-end differentiable model. These new models, that use automatic differentiation to calculate gradients, have new learning…

Dynamical Systems · Mathematics 2020-05-05 Adrián Hernández , José M. Amigó

We consider the problem of efficiently computing the derivative of the solution map of a convex cone program, when it exists. We do this by implicitly differentiating the residual map for its homogeneous self-dual embedding, and solving the…

Optimization and Control · Mathematics 2020-05-21 Akshay Agrawal , Shane Barratt , Stephen Boyd , Enzo Busseti , Walaa M. Moursi

The problem of detecting of information and logically independent (DILD) steps in programs is a key for equivalent program transformations. Here we are considering the problem of independence of loop iterations, the concentration of massive…

Programming Languages · Computer Science 2008-11-03 R. Nuriyev

Neural ordinary differential equations (neural ODEs) have emerged as a novel network architecture that bridges dynamical systems and deep learning. However, the gradient obtained with the continuous adjoint method in the vanilla neural ODE…

Machine Learning · Computer Science 2023-06-12 Hong Zhang , Wenjun Zhao