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We release a new Bayesian neural network library for PyTorch for large-scale deep networks. Our library implements mainstream approximate Bayesian inference algorithms: variational inference, MC-dropout, stochastic-gradient MCMC, and…

Machine Learning · Computer Science 2023-09-25 Minyoung Kim , Timothy Hospedales

Deep learning has enabled major advances in the fields of computer vision, natural language processing, and multimedia among many others. Developing a deep learning system is arduous and complex, as it involves constructing neural network…

Machine Learning · Computer Science 2017-08-04 Hao Dong , Akara Supratak , Luo Mai , Fangde Liu , Axel Oehmichen , Simiao Yu , Yike Guo

This work introduces CTorch, a PyTorch-compatible, GPU-accelerated, and auto-differentiable projector toolbox designed to handle various CT geometries with configurable projector algorithms. CTorch provides flexible scanner geometry…

Medical Physics · Physics 2025-12-15 Xiao Jiang , Grace J. Gang , J. Webster Stayman

Bayesian optimization provides sample-efficient global optimization for a broad range of applications, including automatic machine learning, engineering, physics, and experimental design. We introduce BoTorch, a modern programming framework…

The goal of hyperparameter tuning (or hyperparameter optimization) is to optimize the hyperparameters to improve the performance of the machine or deep learning model. spotPython (``Sequential Parameter Optimization Toolbox in Python'') is…

Machine Learning · Computer Science 2023-06-08 Thomas Bartz-Beielstein

In this work, we present {\ae}net-PyTorch, a PyTorch-based implementation for training artificial neural network-based machine learning interatomic potentials. Developed as an extension of the atomic energy network ({\ae}net),…

Disordered Systems and Neural Networks · Physics 2023-05-10 Jon Lopez-Zorrilla , Xabier M. Aretxabaleta , Inwon Yue , Inigo Etxebarria , Hegoi Manzano , Nongnuch Artrith

Deep Equilibrium (DEQ) Models, an emerging class of implicit models that maps inputs to fixed points of neural networks, are of growing interest in the deep learning community. However, training and applying DEQ models is currently done in…

Machine Learning · Computer Science 2023-10-31 Zhengyang Geng , J. Zico Kolter

Optimising deep learning inference across edge devices and optimisation targets such as inference time, memory footprint and power consumption is a key challenge due to the ubiquity of neural networks. Today, production deep learning…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-08-05 Perry Gibson , José Cano

This paper presents SSSegmenation, which is an open source supervised semantic image segmentation toolbox based on PyTorch. The design of this toolbox is motivated by MMSegmentation while it is easier to use because of fewer dependencies…

Computer Vision and Pattern Recognition · Computer Science 2023-05-29 Zhenchao Jin

We introduce DeepQuantum, an open-source, PyTorch-based software platform for quantum machine learning and photonic quantum computing. This AI-enhanced framework enables efficient design and execution of hybrid quantum-classical models and…

This paper proposes OpenPARF, an open-source placement and routing framework for large-scale FPGA designs. OpenPARF is implemented with the deep learning toolkit PyTorch and supports massive parallelization on GPU. The framework proposes a…

Hardware Architecture · Computer Science 2023-06-30 Jing Mai , Jiarui Wang , Zhixiong Di , Guojie Luo , Yun Liang , Yibo Lin

This paper introduces HyperNOs, a PyTorch library designed to streamline and automate the process of exploring neural operators, with a special focus on hyperparameter optimization for comprehensive and exhaustive exploration. Indeed,…

Machine Learning · Computer Science 2026-02-09 Massimiliano Ghiotto

As the computational requirements for machine learning systems and the size and complexity of machine learning frameworks increases, essential framework innovation has become challenging. While computational needs have driven recent…

Ever since the Multilayered Perceptron was first introduced the connectionist community has struggled with the concept of uncertainty and how this could be represented in these types of models. This past decade has seen a lot of effort in…

Artificial Intelligence · Computer Science 2022-09-14 Lewis Belcher , Johan Gudmundsson , Michael Green

We present MiniTensor, an open source tensor operations library that focuses on minimalism, correctness, and performance. MiniTensor exposes a familiar PyTorch-like Python API while it executes performance critical code in a Rust engine.…

Machine Learning · Computer Science 2026-02-03 Soumyadip Sarkar

When gradient-based methods are impractical, black-box optimization (BBO) provides a valuable alternative. However, BBO often struggles with high-dimensional problems and limited trial budgets. In this work, we propose a novel approach…

Systems and Control · Electrical Eng. & Systems 2025-10-03 Riccardo Busetto , Manas Mejari , Marco Forgione , Alberto Bemporad , Dario Piga

Norm-constrained linear minimization oracle (LMO)-based optimizers such as spectral gradient descent and Muon are attractive in large-scale learning, but extending them to manifold-constrained problems is nontrivial and often leads to…

Optimization and Control · Mathematics 2026-01-30 Kaiwei Yang , Lexiao Lai

Tuning hyperparameters for machine learning algorithms is a tedious task, one that is typically done manually. To enable automated hyperparameter tuning, recent works have started to use techniques based on Bayesian optimization. However,…

Machine Learning · Computer Science 2020-05-26 Sandeep Singh Sandha , Mohit Aggarwal , Igor Fedorov , Mani Srivastava

We introduce a learning-based framework to optimize tensor programs for deep learning workloads. Efficient implementations of tensor operators, such as matrix multiplication and high dimensional convolution, are key enablers of effective…

Machine Learning · Computer Science 2019-01-10 Tianqi Chen , Lianmin Zheng , Eddie Yan , Ziheng Jiang , Thierry Moreau , Luis Ceze , Carlos Guestrin , Arvind Krishnamurthy

In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for molecular dynamics (MD) simulations and related applications.…

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