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The rising demand for high-performance computing (HPC) has made full-chip dynamic thermal simulation in many-core GPUs critical for optimizing performance and extending device lifespans. Proper orthogonal decomposition (POD) with Galerkin…

Computational Engineering, Finance, and Science · Computer Science 2024-12-10 Neil He , Ming-Cheng Cheng , Yu Liu

We design and implement a ready-to-use library in PyTorch for performing micro-batch pipeline parallelism with checkpointing proposed by GPipe (Huang et al., 2019). In particular, we develop a set of design components to enable…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-04-22 Chiheon Kim , Heungsub Lee , Myungryong Jeong , Woonhyuk Baek , Boogeon Yoon , Ildoo Kim , Sungbin Lim , Sungwoong Kim

Modern LLMs typically require multistage training pipelines to achieve strong downstream performance, with post-training serving as the main interface for adapting open-weight models. We introduce torchtune, a PyTorch-native library…

The rapid growth in the size of deep learning models strains the capabilities of traditional dense computation paradigms. Leveraging sparse computation has become increasingly popular for training and deploying large-scale models, but…

Machine Learning · Computer Science 2024-06-21 Bobby Yan , Alexander J. Root , Trevor Gale , David Broman , Fredrik Kjolstad

The KeOps library provides a fast and memory-efficient GPU support for tensors whose entries are given by a mathematical formula, such as kernel and distance matrices. KeOps alleviates the major bottleneck of tensor-centric libraries for…

Machine Learning · Computer Science 2021-04-10 Benjamin Charlier , Jean Feydy , Joan Alexis Glaunès , François-David Collin , Ghislain Durif

Deep learning has had remarkable success in robotic perception, but its data-centric nature suffers when it comes to generalizing to ever-changing environments. By contrast, physics-based optimization generalizes better, but it does not…

Optimization on manifolds is a class of methods for optimization of an objective function, subject to constraints which are smooth, in the sense that the set of points which satisfy the constraints admits the structure of a differentiable…

Mathematical Software · Computer Science 2020-09-03 James Townsend , Niklas Koep , Sebastian Weichwald

We introduce DiffOpt.jl, a Julia library to differentiate through the solution of optimization problems with respect to arbitrary parameters present in the objective and/or constraints. The library builds upon MathOptInterface, thus…

Machine Learning · Computer Science 2023-08-01 Mathieu Besançon , Joaquim Dias Garcia , Benoît Legat , Akshay Sharma

We describe a software package, TomOpt, developed to optimise the geometrical layout and specifications of detectors designed for tomography by scattering of cosmic-ray muons. The software exploits differentiable programming for the…

Recent advances in derivative-free optimization allow efficient approximation of the global-optimal solutions of sophisticated functions, such as functions with many local optima, non-differentiable and non-continuous functions. This…

Machine Learning · Computer Science 2022-09-28 Yu-Ren Liu , Yi-Qi Hu , Hong Qian , Chao Qian , Yang Yu

Automatic differentiation (AD) frameworks such as JAX and PyTorch have enabled gradient-based optimization for a wide range of scientific fields. Yet, many "hard" primitives in these libraries such as thresholding, Boolean logic, discrete…

Machine Learning · Computer Science 2026-03-11 Anselm Paulus , A. René Geist , Vít Musil , Sebastian Hoffmann , Onur Beker , Georg Martius

Discrete optimization is a central problem in artificial intelligence. The optimization of the aggregated cost of a network of cost functions arises in a variety of problems including (W)CSP, DCOP, as well as optimization in stochastic…

Artificial Intelligence · Computer Science 2018-01-12 Ferdinando Fioretto , Enrico Pontelli , William Yeoh , Rina Dechter

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

Multiobjective optimization problems (MOPs) are prevalent in machine learning, with applications in multi-task learning, learning under fairness or robustness constraints, etc. Instead of reducing multiple objective functions into a scalar…

Mathematical Software · Computer Science 2024-10-14 Xiaoyuan Zhang , Liang Zhao , Yingying Yu , Xi Lin , Yifan Chen , Han Zhao , Qingfu Zhang

Graph Transformer is a new architecture that surpasses GNNs in graph learning. While there emerge inspiring algorithm advancements, their practical adoption is still limited, particularly on real-world graphs involving up to millions of…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-22 Meng Zhang , Jie Sun , Qinghao Hu , Peng Sun , Zeke Wang , Yonggang Wen , Tianwei Zhang

Solving massive-scale optimization problems requires scalable first-order methods with low per-iteration cost. This tutorial highlights a shift in optimization: using differentiable programming not only to execute algorithms but to learn…

Mathematical Software · Computer Science 2026-03-02 Liping Tao , Xindi Tong , Chee Wei Tan

Physics-informed learning has shown to have a better generalization than learning without physical priors. However, training physics-informed deep neural networks requires some aspect of physical simulations to be written in a…

Machine Learning · Computer Science 2020-10-06 Muhammad F. Kasim , Sam M. Vinko

Differentiable sparse linear algebra is foundational for scientific machine learning, yet PyTorch lacks a unified library for it: \texttt{torch.sparse} provides only low-level kernels and a non-differentiable, CPU-only \texttt{spsolve}, and…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-07 Mingyuan Chi , Shizheng Wen

We introduce TorchSim, an open-source atomistic simulation engine tailored for the Machine Learned Interatomic Potential (MLIP) era. By rewriting core atomistic simulation primitives in PyTorch, TorchSim can achieve orders of magnitude…

To cope with the rapid growth in available data, the efficiency of data analysis and machine learning libraries has recently received increased attention. Although great advancements have been made in traditional array-based computations,…