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Machine learning has been revolutionizing our world over the last few years and is also increasingly exploited in several areas of physics, including quantum dynamics and control.The need for a framework that brings together machine…

Quantum Physics · Physics 2025-01-31 Dimitris Koutromanos , Dionisis Stefanatos , Emmanuel Paspalakis

SoftMax is a ubiquitous ingredient of modern machine learning algorithms. It maps an input vector onto a probability simplex and reweights the input by concentrating the probability mass at large entries. Yet, as a smooth approximation to…

Machine Learning · Computer Science 2025-01-09 Yuxuan Zhou , Mario Fritz , Margret Keuper

Static and dynamic computational graphs represent two distinct approaches to constructing deep learning frameworks. The former prioritizes compiler-based optimizations, while the latter focuses on programmability and user-friendliness. The…

Software Engineering · Computer Science 2023-11-01 Qidong Su , Chuqin Geng , Gennady Pekhimenko , Xujie Si

We introduce JAX FDM, a differentiable solver to design mechanically efficient shapes for 3D structures conditioned on target architectural, fabrication and structural properties. Examples of such structures are domes, cable nets and…

Computational Engineering, Finance, and Science · Computer Science 2023-10-31 Rafael Pastrana , Deniz Oktay , Ryan P. Adams , Sigrid Adriaenssens

Softmax is popular normalization method used in machine learning. Deep learning solutions like Transformer or BERT use the softmax function intensively, so it is worthwhile to optimize its performance. This article presents our methodology…

Mathematical Software · Computer Science 2019-05-28 Jacek Czaja , Michal Gallus , Tomasz Patejko , Jian Tang

We introduce JPC, a JAX library for training neural networks with Predictive Coding. JPC provides a simple, fast and flexible interface to train a variety of PC networks (PCNs) including discriminative, generative and hybrid models. Unlike…

Neural and Evolutionary Computing · Computer Science 2024-12-06 Francesco Innocenti , Paul Kinghorn , Will Yun-Farmbrough , Miguel De Llanza Varona , Ryan Singh , Christopher L. Buckley

We consider smooth stochastic convex optimization problems in the context of algorithms which are based on directional derivatives of the objective function. This context can be considered as an intermediate one between derivative-free…

Optimization and Control · Mathematics 2020-09-22 Pavel Dvurechensky , Eduard Gorbunov , Alexander Gasnikov

Hierarchical optimization refers to problems with interdependent decision variables and objectives, such as minimax and bilevel formulations. While various algorithms have been proposed, existing methods and analyses lack adaptivity in…

Machine Learning · Computer Science 2025-10-27 Xiaochuan Gong , Jie Hao , Mingrui Liu

Adaptive optimizers, such as Adam, have achieved remarkable success in deep learning. A key component of these optimizers is the so-called preconditioning matrix, providing enhanced gradient information and regulating the step size of each…

Machine Learning · Computer Science 2024-12-10 Yun Yue , Zhiling Ye , Jiadi Jiang , Yongchao Liu , Ke Zhang

Epithelial tissues dynamically reshape through local mechanical interactions among cells, a process well captured by vertex models. Yet their many tunable parameters make inference and optimization challenging, motivating computational…

This paper presents the design, implementation, and evaluation of the PyTorch distributed data parallel module. PyTorch is a widely-adopted scientific computing package used in deep learning research and applications. Recent advances in…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-30 Shen Li , Yanli Zhao , Rohan Varma , Omkar Salpekar , Pieter Noordhuis , Teng Li , Adam Paszke , Jeff Smith , Brian Vaughan , Pritam Damania , Soumith Chintala

We present Theseus, an efficient application-agnostic open source library for differentiable nonlinear least squares (DNLS) optimization built on PyTorch, providing a common framework for end-to-end structured learning in robotics and…

This paper investigates the deep learning optimization problem with softmax cross-entropy loss. We propose a layer separation strategy to alleviate the strong nonconvexity encountered during training deep networks. For cross-entropy models…

Machine Learning · Computer Science 2026-04-28 Yaru Liu , Michael K. Ng , Yiqi Gu

Training algorithms in deep learning usually treat a mini-batch of samples as a single object; they average gradients over the mini-batch, and then process the average in various ways. Computing other statistics beyond the average may have…

Machine Learning · Computer Science 2026-03-03 Vincent Roulet , Atish Agarwala

Massive datasets often contain redundancy that inflates computational costs without improving generalization. Existing data reduction methods are typically task-agnostic, discarding informative boundary samples and yielding suboptimal…

Machine Learning · Computer Science 2026-04-07 Jiacheng Lyu , Bihua Bao , Shiyun Yan

PyTorch has ascended as a premier machine learning framework, yet it lacks a native and comprehensive library for decision and control tasks suitable for large development teams dealing with complex real-world data and environments. To…

Algorithmic differentiation (AD) has become increasingly capable and straightforward to use. However, AD is inefficient when applied directly to solvers, a feature of most engineering analyses. We can leverage implicit differentiation to…

Optimization and Control · Mathematics 2023-06-28 Andrew Ning , Taylor McDonnell

We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it…

Machine Learning · Computer Science 2019-04-26 Matthias Fey , Jan Eric Lenssen

The strength of modern generative models lies in their ability to be controlled through text-based prompts. Typical "hard" prompts are made from interpretable words and tokens, and must be hand-crafted by humans. There are also "soft"…

Machine Learning · Computer Science 2023-06-02 Yuxin Wen , Neel Jain , John Kirchenbauer , Micah Goldblum , Jonas Geiping , Tom Goldstein

In this research, we propose an innovative method to boost Knowledge Distillation efficiency without the need for resource-heavy teacher models. Knowledge Distillation trains a smaller ``student'' model with guidance from a larger…

Machine Learning · Computer Science 2024-04-16 Divyang Doshi , Jung-Eun Kim