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Developing efficient CUDA kernels is a fundamental yet challenging task in the generative AI industry. Recent research leverages Large Language Models (LLMs) to automatically convert PyTorch reference implementations to CUDA kernels,…

计算与语言 · 计算机科学 2026-05-28 Siqi Guo , Ming Lin , Tianbao Yang

We present an open-source tensor network Python library for quantum many-body simulations. At its core is an abelian-symmetric tensor, implemented as a sparse block structure managed by logical layer on top of dense multi-dimensional array…

强关联电子 · 物理学 2025-03-05 Marek M. Rams , Gabriela Wójtowicz , Aritra Sinha , Juraj Hasik

In this work we introduce a differential rendering module which allows neural networks to efficiently process cluttered data. The module is composed of continuous piecewise differentiable functions defined as a sensor array of cells…

计算机视觉与模式识别 · 计算机科学 2019-04-11 Yonatan Svirsky , Andrei Sharf

PyOD is an open-source Python toolbox for performing scalable outlier detection on multivariate data. Uniquely, it provides access to a wide range of outlier detection algorithms, including established outlier ensembles and more recent…

机器学习 · 计算机科学 2019-06-12 Yue Zhao , Zain Nasrullah , Zheng Li

The fast-paced development of machine learning (ML) methods coupled with its increasing adoption in research poses challenges for researchers without extensive training in ML. In neuroscience, for example, ML can help understand…

机器学习 · 计算机科学 2023-10-20 Sami Hamdan , Shammi More , Leonard Sasse , Vera Komeyer , Kaustubh R. Patil , Federico Raimondo

Knowledge Distillation (KD) compresses large language models (LLMs) by transferring the teacher model's capabilities to a smaller student model, reducing inference cost and memory usage while maintaining performance. However, existing KD…

计算与语言 · 计算机科学 2025-06-11 Lingyuan Liu , Mengxiang Zhang

We introduce torchNTK, a python library to calculate the empirical neural tangent kernel (NTK) of neural network models in the PyTorch framework. We provide an efficient method to calculate the NTK of multilayer perceptrons. We compare the…

机器学习 · 计算机科学 2022-05-26 Andrew Engel , Zhichao Wang , Anand D. Sarwate , Sutanay Choudhury , Tony Chiang

This paper introduces torchsom, an open-source Python library that provides a reference implementation of the Self-Organizing Map (SOM) in PyTorch. This package offers three main features: (i) dimensionality reduction, (ii) clustering, and…

机器学习 · 统计学 2025-10-14 Louis Berthier , Ahmed Shokry , Maxime Moreaud , Guillaume Ramelet , Eric Moulines

Machine learning has emerged as a powerful solution to the modern challenges in accelerator physics. However, the limited availability of beam time, the computational cost of simulations, and the high-dimensionality of optimisation problems…

加速器物理 · 物理学 2024-05-30 Jan Kaiser , Chenran Xu , Annika Eichler , Andrea Santamaria Garcia

Even todays most advanced machine learning models are easily fooled by almost imperceptible perturbations of their inputs. Foolbox is a new Python package to generate such adversarial perturbations and to quantify and compare the robustness…

机器学习 · 计算机科学 2018-03-21 Jonas Rauber , Wieland Brendel , Matthias Bethge

Reinforcement learning is increasingly finding success across domains where the problem can be represented as a Markov decision process. Evolutionary computation algorithms have also proven successful in this domain, exhibiting similar…

机器学习 · 计算机科学 2022-01-25 Rohan Tangri , Danilo P. Mandic , Anthony G. Constantinides

MatchingTools is a Python library for doing symbolic calculations in effective field theory. It provides the tools to construct general models by defining their field content and their interaction Lagrangian. Once a model is given, the…

高能物理 - 唯象学 · 物理学 2018-08-09 Juan C. Criado

Generative models for molecules have shown considerable promise for use in computational chemistry, but remain difficult to use for non-experts. For this reason, we introduce open-source infrastructure for easily building generative…

机器学习 · 计算机科学 2024-12-02 V Shreyas , Jose Siguenza , Karan Bania , Bharath Ramsundar

As the usage of deep learning becomes increasingly popular in mobile and embedded solutions, it is necessary to convert the framework-specific network representations into executable code for these embedded platforms. This paper consists of…

编程语言 · 计算机科学 2021-04-13 Max Sponner , Bernd Waschneck , Akash Kumar

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,…

机器学习 · 计算机科学 2026-02-09 Massimiliano Ghiotto

We present MXtalTools, a flexible Python package for the data-driven modelling of molecular crystals, facilitating machine learning studies of the molecular solid state. MXtalTools comprises several classes of utilities: (1) synthesis,…

机器学习 · 计算机科学 2025-11-26 Michael Kilgour , Mark E. Tuckerman , Jutta Rogal

There is growing interest in graph pattern mining (GPM) problems such as motif counting. GPM systems have been developed to provide unified interfaces for programming algorithms for these problems and for running them on parallel systems.…

分布式、并行与集群计算 · 计算机科学 2020-01-22 Xuhao Chen , Roshan Dathathri , Gurbinder Gill , Keshav Pingali

A wide range of transformer-based language models have been proposed for information retrieval tasks. However, including transformer-based models in retrieval pipelines is often complex and requires substantial engineering effort. In this…

信息检索 · 计算机科学 2025-04-16 Ferdinand Schlatt , Maik Fröbe , Matthias Hagen

Deep learning (DL) has been a revolutionary technique in various domains. To facilitate the model development and deployment, many deep learning frameworks are proposed, among which PyTorch is one of the most popular solutions. The…

机器学习 · 计算机科学 2023-06-27 Yueming Hao , Xu Zhao , Bin Bao , David Berard , Will Constable , Adnan Aziz , Xu Liu

Deep learning technologies, particularly deep neural networks (DNNs), have demonstrated significant success across many domains. This success has been accompanied by substantial advancements and innovations in the algorithms behind the…

机器学习 · 计算机科学 2025-04-14 Timothy L. Cronin , Sanmukh Kuppannagari