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We present a new open source python package, based on PyLightcurve and PyTorch, tailored for efficient computation and automatic differentiation of exoplanetary transits. The classes and functions implemented are fully vectorised, natively…

Earth and Planetary Astrophysics · Physics 2021-03-24 Mario Morvan , Angelos Tsiaras , Nikolaos Nikolaou , Ingo P. Waldmann

This paper introduces a novel CUDA-enabled PyTorch-based framework designed for the gradient-based optimization of such reconfigurable electromagnetic structures with electrically tunable parameters. Traditional optimization techniques for…

Computational Physics · Physics 2025-11-25 Johannes Müller , Dennis Philipp , Matthias Günther

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…

Accelerator Physics · Physics 2024-05-30 Jan Kaiser , Chenran Xu , Annika Eichler , Andrea Santamaria Garcia

Derivative computation is a key component of optimization, sensitivity analysis, uncertainty quantification, and nonlinear solvers. Automatic differentiation (AD) is a powerful technique for evaluating such derivatives, and in recent years,…

Mathematical Software · Computer Science 2025-07-18 Kim Liegeois , Brian Kelley , Eric Phipps , Sivasankaran Rajamanickam , Vassil Vassilev

Automatic differentiation frameworks are optimized for exactly one thing: computing the average mini-batch gradient. Yet, other quantities such as the variance of the mini-batch gradients or many approximations to the Hessian can, in…

Machine Learning · Computer Science 2020-02-18 Felix Dangel , Frederik Kunstner , Philipp Hennig

One critical challenge in deploying highly performant machine learning models in real-life applications is out of distribution (OOD) detection. Given a predictive model which is accurate on in distribution (ID) data, an OOD detection system…

Machine Learning · Computer Science 2022-05-24 Conor Igoe , Youngseog Chung , Ian Char , Jeff Schneider

Efficiently and accurately simulating partial differential equations (PDEs) in and around arbitrarily defined geometries, especially with high levels of adaptivity, has significant implications for different application domains. A key…

Alignment plays a fundamental role in many machine learning problems, such as multi-network analysis, multimodal learning, and point cloud registration. Recent works increasingly leverage optimal transport (OT) for distributional alignment,…

Machine Learning · Computer Science 2026-05-26 Qi Yu , Ruizhong Qiu , Zhichen Zeng , My T. Thai , Huan Liu , Hanghang Tong

We propose PyTorchGeoNodes, a differentiable module for reconstructing 3D objects and their parameters from images using interpretable shape programs. Unlike traditional CAD model retrieval, shape programs allow reasoning about semantic…

Computer Vision and Pattern Recognition · Computer Science 2025-04-07 Sinisa Stekovic , Arslan Artykov , Stefan Ainetter , Mattia D'Urso , Friedrich Fraundorfer

Deep learning has significantly improved 2D image recognition. Extending into 3D may advance many new applications including autonomous vehicles, virtual and augmented reality, authoring 3D content, and even improving 2D recognition.…

Computer Vision and Pattern Recognition · Computer Science 2020-07-17 Nikhila Ravi , Jeremy Reizenstein , David Novotny , Taylor Gordon , Wan-Yen Lo , Justin Johnson , Georgia Gkioxari

With the wide spread of deep learning and gradient descent inspired optimization algorithms, differentiable programming has gained traction. Nowadays it has found applications in many different areas as well, such as scientific computing,…

Programming Languages · Computer Science 2022-07-14 Pedro H. Azevedo de Amorim , Christopher Lam

We introduce GradPCA, an Out-of-Distribution (OOD) detection method that exploits the low-rank structure of neural network gradients induced by Neural Tangent Kernel (NTK) alignment. GradPCA applies Principal Component Analysis (PCA) to…

Machine Learning · Computer Science 2026-03-03 Mariia Seleznova , Hung-Hsu Chou , Claudio Mayrink Verdun , Gitta Kutyniok

Memory is a limiting resource for many deep learning tasks. Beside the neural network weights, one main memory consumer is the computation graph built up by automatic differentiation (AD) for backpropagation. We observe that PyTorch's…

Machine Learning · Computer Science 2024-08-22 Samarth Bhatia , Felix Dangel

Uncovering the underlying ordinary differential equations (ODEs) that govern dynamic systems is crucial for advancing our understanding of complex phenomena. Traditional symbolic regression methods often struggle to capture the temporal…

Machine Learning · Computer Science 2025-06-24 Yang Chang , Kuang-Da Wang , Ping-Chun Hsieh , Cheng-Kuan Lin , Wen-Chih Peng

Detecting out-of-distribution (OOD) samples plays a key role in open-world and safety-critical applications such as autonomous systems and healthcare. Recently, self-supervised representation learning techniques (via contrastive learning…

Computer Vision and Pattern Recognition · Computer Science 2021-10-12 Sina Mohseni , Arash Vahdat , Jay Yadawa

We present DiffTaichi, a new differentiable programming language tailored for building high-performance differentiable physical simulators. Based on an imperative programming language, DiffTaichi generates gradients of simulation steps…

Machine Learning · Computer Science 2020-02-17 Yuanming Hu , Luke Anderson , Tzu-Mao Li , Qi Sun , Nathan Carr , Jonathan Ragan-Kelley , Frédo Durand

We propose to apply several gradient estimation techniques to enable the differentiation of programs with discrete randomness in High Energy Physics. Such programs are common in High Energy Physics due to the presence of branching processes…

Machine Learning · Statistics 2023-09-01 Michael Kagan , Lukas Heinrich

Evolutionary computation is an important component within various fields such as artificial intelligence research, reinforcement learning, robotics, industrial automation and/or optimization, engineering design, etc. Considering the…

Neural and Evolutionary Computing · Computer Science 2023-05-23 Nihat Engin Toklu , Timothy Atkinson , Vojtěch Micka , Paweł Liskowski , Rupesh Kumar Srivastava

A key challenge for LiDAR-based 3D object detection is to capture sufficient features from large scale 3D scenes especially for distant or/and occluded objects. Albeit recent efforts made by Transformers with the long sequence modeling…

Computer Vision and Pattern Recognition · Computer Science 2023-03-23 Chao Zhou , Yanan Zhang , Jiaxin Chen , Di Huang

We propose the gradient-weighted Object Detector Activation Maps (ODAM), a visualized explanation technique for interpreting the predictions of object detectors. Utilizing the gradients of detector targets flowing into the intermediate…

Computer Vision and Pattern Recognition · Computer Science 2023-04-14 Chenyang Zhao , Antoni B. Chan
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