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Algorithms proposed for solving high-dimensional optimization problems with no derivative information frequently encounter the "curse of dimensionality," becoming ineffective as the dimension of the parameter space grows. One feature of a…

Optimization and Control · Mathematics 2020-04-28 Dmitry Pozharskiy , Noah J. Wichrowski , Andrew B. Duncan , Grigorios A. Pavliotis , Ioannis G. Kevrekidis

We present a geometric multilevel optimization approach that smoothly incorporates box constraints. Given a box constrained optimization problem, we consider a hierarchy of models with varying discretization levels. Finer models are…

Optimization and Control · Mathematics 2024-04-23 Sebastian Müller , Stefania Petra , Matthias Zisler

PyG (PyTorch Geometric) has evolved significantly since its initial release, establishing itself as a leading framework for Graph Neural Networks. In this paper, we present Pyg 2.0 (and its subsequent minor versions), a comprehensive update…

Designing the topology of three-dimensional structures is a challenging problem due to its memory and time consumption. In this paper, we present a robust and efficient algorithm for solving large-scale 3D topology optimization problems.…

Optimization and Control · Mathematics 2024-03-01 Alfredo Vitorino , Francisco A. M. Gomes

TorchOptics is an open-source Python library for differentiable Fourier optics simulations, developed using PyTorch to enable GPU-accelerated tensor computations and automatic differentiation. It provides a comprehensive framework for…

Optics · Physics 2024-11-28 Matthew J. Filipovich , A. I. Lvovsky

The constant introduction of standardized benchmarks in the literature has helped accelerating the recent advances in meta-learning research. They offer a way to get a fair comparison between different algorithms, and the wide range of…

Machine Learning · Computer Science 2019-09-17 Tristan Deleu , Tobias Würfl , Mandana Samiei , Joseph Paul Cohen , Yoshua Bengio

Modern machine learning increasingly leverages the insight that high-dimensional data often lie near low-dimensional, non-linear manifolds, an idea known as the manifold hypothesis. By explicitly modeling the geometric structure of data…

Machine Learning · Computer Science 2026-03-02 Willem Diepeveen , Deanna Needell

Fitting an unknown number of hyperplanes to data is a fundamental yet challenging problem in machine learning, characterized by its non-convexity, non-differentiability, and unknown model order. Existing approaches often struggle with local…

Machine Learning · Computer Science 2026-05-28 Zhiqin Cheng , Yu Zhan , Mingjin Zhang , Lingbo Liu , Liang Lin

Although many machine learning algorithms involve learning subspaces with particular characteristics, optimizing a parameter matrix that is constrained to represent a subspace can be challenging. One solution is to use Riemannian…

Machine Learning · Computer Science 2017-03-10 Stephen Giguere , Francisco Garcia , Sridhar Mahadevan

Machine learning solutions are very popular in the field of chemoinformatics, where they have numerous applications, such as novel drug discovery or molecular property prediction. Molecular fingerprints are algorithms commonly used for…

Quantitative Methods · Quantitative Biology 2024-04-01 Michał Szafarczyk , Piotr Ludynia , Przemysław Kukla

Many important problems in science and engineering, such as drug design, involve optimizing an expensive black-box objective function over a complex, high-dimensional, and structured input space. Although machine learning techniques have…

Machine Learning · Computer Science 2020-10-27 Austin Tripp , Erik Daxberger , José Miguel Hernández-Lobato

We perform an exploratory study of a new approach for evaluating Feynman integrals numerically. We apply the recently-proposed framework of physics-informed deep learning to train neural networks to approximate the solution to the…

High Energy Physics - Phenomenology · Physics 2024-07-24 Francesco Calisto , Ryan Moodie , Simone Zoia

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

Representing graphs as sets of node embeddings in certain curved Riemannian manifolds has recently gained momentum in machine learning due to their desirable geometric inductive biases, e.g., hierarchical structures benefit from hyperbolic…

Machine Learning · Computer Science 2020-06-09 Calin Cruceru , Gary Bécigneul , Octavian-Eugen Ganea

Multi-Task Learning (MTL) seeks to boost statistical power and learning efficiency by discovering structure shared across related tasks. State-of-the-art MTL representation methods, however, usually treat the latent representation matrix as…

Machine Learning · Statistics 2025-05-07 Aoran Chen , Yang Feng

With the increasing adoption of graph neural networks (GNNs) in the machine learning community, GPUs have become an essential tool to accelerate GNN training. However, training GNNs on very large graphs that do not fit in GPU memory is…

Machine Learning · Computer Science 2021-01-21 Seung Won Min , Kun Wu , Sitao Huang , Mert Hidayetoğlu , Jinjun Xiong , Eiman Ebrahimi , Deming Chen , Wen-mei Hwu

This paper integrates manifold learning techniques within a \emph{Gaussian process upper confidence bound} algorithm to optimize an objective function on a manifold. Our approach is motivated by applications where a full representation of…

Machine Learning · Statistics 2023-11-10 Hwanwoo Kim , Daniel Sanz-Alonso , Ruiyi Yang

Deep learning has brought significant advancements to X-ray Computed Tomography (CT) reconstruction, offering solutions to challenges arising from modern imaging technologies. These developments benefit from methods that combine classical…

Machine Learning · Computer Science 2025-11-12 Linda-Sophie Schneider , Yipeng Sun , Chengze Ye , Markus Michen , Andreas Maier

Optimization-based solvers play a central role in a wide range of signal processing and communication tasks. However, their applicability in latency-sensitive systems is limited by the sequential nature of iterative methods and the high…

Signal Processing · Electrical Eng. & Systems 2026-03-12 Dvir Avrahami , Amit Milstein , Caroline Chaux , Tirza Routtenberg , Nir Shlezinger

Riemannian submanifold optimization with momentum is computationally challenging because, to ensure that the iterates remain on the submanifold, we often need to solve difficult differential equations. Here, we simplify such difficulties…

Machine Learning · Statistics 2024-03-19 Wu Lin , Valentin Duruisseaux , Melvin Leok , Frank Nielsen , Mohammad Emtiyaz Khan , Mark Schmidt
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