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The intricate three-dimensional geometries of protein tertiary structures underlie protein function and emerge through a folding process from one-dimensional chains of amino acids. The exact spatial sequence and configuration of amino…

Biomolecules · Quantitative Biology 2021-02-24 Nora Molkenthin , Steffen Mühle , Antonia S J S Mey , Marc Timme

We revisit the task of learning a Euclidean metric from data. We approach this problem from first principles and formulate it as a surprisingly simple optimization problem. Indeed, our formulation even admits a closed form solution. This…

Machine Learning · Statistics 2016-07-19 Pourya Habib Zadeh , Reshad Hosseini , Suvrit Sra

Dynamic motions of humans and robots are widely driven by posture-dependent nonlinear interactions between their degrees of freedom. However, these dynamical effects remain mostly overlooked when studying the mechanisms of human movement…

Robotics · Computer Science 2022-08-03 Holger Klein , Noémie Jaquier , Andre Meixner , Tamim Asfour

Geometric representation learning in preserving the intrinsic geometric and topological properties for discrete non-Euclidean data is crucial in scientific applications. Previous research generally mapped non-Euclidean discrete data into…

Machine Learning · Computer Science 2025-11-25 Zihao Chen , Wenyong Wang , Jiachen Yang , Yu Xiang

This work addresses the challenge of analyzing geometric structures using Kendall's 3D Shape Space. While Riemannian geometry provides a robust framework for shape analysis (independent of scale, position, and orientation) the transition…

By incorporating physical consistency as inductive bias, deep neural networks display increased generalization capabilities and data efficiency in learning nonlinear dynamic models. However, the complexity of these models generally…

Machine Learning · Computer Science 2025-03-03 Katharina Friedl , Noémie Jaquier , Jens Lundell , Tamim Asfour , Danica Kragic

Designing dynamically feasible trajectories for rigid bodies is a fundamental problem in robotics. Although direct trajectory optimization is widely applied to solve this problem, inappropriate parameterizations of rigid body dynamics often…

Robotics · Computer Science 2025-05-06 Sangli Teng , Tzu-Yuan Lin , William A Clark , Ram Vasudevan , Maani Ghaffari

Similarity measures are widely used to interpret the representational geometries used by neural networks to solve tasks. Yet, because existing methods compare the extrinsic geometry of representations in state space, rather than their…

Machine Learning · Computer Science 2026-04-03 N Alex Cayco-Gajic , Arthur Pellegrino

In this paper, we have reintroduced a new approach to conformal geometry developed and presented in two previous papers, in which we show that all n-dimensional pseudo-Riemannian metrics are conformal to a flat n-dimensional manifold as…

Mathematical Physics · Physics 2012-12-20 A. C. V. V. de Siqueira

The indicator matrix plays an important role in machine learning, but optimizing it is an NP-hard problem. We propose a new relaxation of the indicator matrix and prove that this relaxation forms a manifold, which we call the Relaxed…

Machine Learning · Computer Science 2025-04-14 Jinghui Yuan , Fangyuan Xie , Feiping Nie , Xuelong Li

Computational optimal transport (OT) offers a principled framework for generative modeling. Neural OT methods, which use neural networks to learn an OT map (or potential) from data in an amortized way, can be evaluated out of sample after…

Machine Learning · Computer Science 2026-02-04 Alessandro Micheli , Yueqi Cao , Anthea Monod , Samir Bhatt

This paper studies large-scale optimization problems on Riemannian manifolds whose objective function is a finite sum of negative log-probability losses. Such problems arise in various machine learning and signal processing applications. By…

Optimization and Control · Mathematics 2022-07-18 Jiang Hu , Ruicheng Ao , Anthony Man-Cho So , Minghan Yang , Zaiwen Wen

Gaussian Process (GP) regression is a powerful nonparametric Bayesian framework, but its performance depends critically on the choice of covariance kernel. Selecting an appropriate kernel is therefore central to model quality, yet remains…

Machine Learning · Computer Science 2026-01-14 Md Shafiqul Islam , Shakti Prasad Padhy , Douglas Allaire , Raymundo Arróyave

Constrained optimization plays a crucial role in the fields of quantum physics and quantum information science and becomes especially challenging for high-dimensional complex structure problems. One specific issue is that of quantum process…

Quantum Physics · Physics 2024-04-30 Daniel Volya , Andrey Nikitin , Prabhat Mishra

Given a compact manifold with boundary with unknown Riemannian metric. The problem is to reconstruct the metric in a class of conformal metrics from knowledge of lengths of all closed geodesics (kinematic data). An integral inequality is…

Differential Geometry · Mathematics 2012-06-05 Victor Palamodov

Many tasks require mapping continuous input data (e.g. images) to discrete task outputs (e.g. class labels). Yet, how neural networks learn to perform such discrete computations on continuous data manifolds remains poorly understood. Here,…

Machine Learning · Computer Science 2025-12-02 Julian Brandon , Angus Chadwick , Arthur Pellegrino

We present Extended Riemannian Stochastic Derivative-Free Optimization (Extended RSDFO), a novel population-based stochastic optimization algorithm on Riemannian manifolds that addresses the locality and implicit assumptions of manifold…

Optimization and Control · Mathematics 2023-08-23 Robert Simon Fong , Peter Tino

This paper sheds light on the essential characteristics of geodesics, which frequently occur in considerations from motion in Euclidean space. Focus is mainly on a method of obtaining them from the calculus of variations, and an explicit…

General Mathematics · Mathematics 2017-03-21 Uchechukwu Michael Opara

Embedding graphs in continous spaces is a key factor in designing and developing algorithms for automatic information extraction to be applied in diverse tasks (e.g., learning, inferring, predicting). The reliability of graph embeddings…

Machine Learning · Computer Science 2023-11-30 Andrea Marinoni , Pietro Lio' , Alessandro Barp , Christian Jutten , Mark Girolami

The communications and interrelations between different locations on the Earth's surface have far-reaching implications for both social and natural systems. Effective spatial analytics ideally require a spatial representation, where…

Physics and Society · Physics 2024-12-02 Hezhishi Jiang , Liyan Xu , Tianshu Li , Jintong Tang , Zekun Chen , Yuxuan Wang , Hongmou Zhang , Yu Liu
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