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We propose a framework for the design and analysis of optimization algorithms in variational quantum Monte Carlo, drawing on geometric insights into the corresponding function space. The framework translates infinite-dimensional…

Strongly Correlated Electrons · Physics 2025-07-16 Victor Armegioiu , Juan Carrasquilla , Siddhartha Mishra , Johannes Müller , Jannes Nys , Marius Zeinhofer , Hang Zhang

Bayesian optimization is normally performed within fixed variable bounds. In cases like hyperparameter tuning for machine learning algorithms, setting the variable bounds is not trivial. It is hard to guarantee that any fixed bounds will…

Optimization and Control · Mathematics 2020-01-15 Wei Chen , Mark Fuge

This paper considers the problem of measure estimation under the barycentric coding model (BCM), in which an unknown measure is assumed to belong to the set of Wasserstein-2 barycenters of a finite set of known measures. Estimating a…

Machine Learning · Statistics 2022-06-29 Matthew Werenski , Ruijie Jiang , Abiy Tasissa , Shuchin Aeron , James M. Murphy

Volumetric parameterization problem refers to parameterization of both the interior and boundary of a 3D model. It is a much harder problem compared to surface parameterization where a parametric representation is worked out only for the…

Computational Geometry · Computer Science 2013-10-28 Vikash Gupta , Hari K. Voruganti , Bhaskar Dasgupta

We study in this paper a variant of Wasserstein barycenter problem, which we refer to as tree-Wasserstein barycenter, by leveraging a specific class of ground metrics, namely tree metrics, for Wasserstein distance. Drawing on the tree…

Machine Learning · Statistics 2020-02-28 Tam Le , Viet Huynh , Nhat Ho , Dinh Phung , Makoto Yamada

This paper describes a novel construction of generalized barycentric coordinates of points on a sphere with respect to the vertices of a given spherical polygon that is contained in a common hemisphere. While in the standard approach such…

General Mathematics · Mathematics 2022-04-28 Abdellatif Aitelhad

We develop a new paradigm for finding bifurcations of solutions of nonlinear problems, which is based on the detection of extreme values of new type of variational functional associated with the considering problem. The variational…

Analysis of PDEs · Mathematics 2014-11-11 Yavdat Il'yasov , Alexsandr Ivanov

Multibody dynamics simulators are an important tool in many fields, including learning and control for robotics. However, many existing dynamics simulators suffer from inaccuracies when dealing with constrained mechanical systems due to…

Robotics · Computer Science 2023-11-07 Jan Brüdigam , Stefan Sosnowski , Zachary Manchester , Sandra Hirche

Variational methods have proven to be excellent tools to approximate ground states of complex many body Hamiltonians. Generic tools like neural networks are extremely powerful, but their parameters are not necessarily physically motivated.…

Strongly Correlated Electrons · Physics 2022-03-04 Agnes Valenti , Eliska Greplova , Netanel H. Lindner , Sebastian D. Huber

Sampling complex free energy surfaces is one of the main challenges of modern atomistic simulation methods. The presence of kinetic bottlenecks in such surfaces often renders a direct approach useless. A popular strategy is to identify a…

Computational Physics · Physics 2019-09-25 Luigi Bonati , Yue-Yu Zhang , Michele Parrinello

Neural networks have become ubiquitous tools for solving signal and image processing problems, and they often outperform standard approaches. Nevertheless, training neural networks is a challenging task in many applications. The prevalent…

Optimization and Control · Mathematics 2022-10-28 Patrick L. Combettes , Jean-Christophe Pesquet , Audrey Repetti

We present a novel method for efficiently computing optimal transport maps and Wasserstein barycenters in high-dimensional spaces. Our approach uses conditional normalizing flows to approximate the input distributions as invertible…

Machine Learning · Statistics 2025-05-29 Gabriele Visentin , Patrick Cheridito

This work proposes a new procedure for estimating the non-stationary spatial covariance function for Spatial-Temporal Deformation. The proposed procedure is based on a monotonic function approach. The deformation functions are expanded as a…

Methodology · Statistics 2023-05-05 Yangyang Chen , Pedro Alberto Morettin , Ronaldo Dias , Chang Chiann

In the present paper we consider the varying coefficient model which represents a useful tool for exploring dynamic patterns in many applications. Existing methods typically provide asymptotic evaluation of precision of estimation…

Statistics Theory · Mathematics 2013-02-07 Olga Klopp , Marianna Pensky

Wasserstein barycentres represent average distributions between multiple probability measures for the Wasserstein distance. The numerical computation of Wasserstein barycentres is notoriously challenging. A common approach is to use…

Numerical Analysis · Mathematics 2026-03-30 Eloi Tanguy , Julie Delon , Nathaël Gozlan

We discuss a general technique that can be used to form a differentiable bound on the optima of non-differentiable or discrete objective functions. We form a unified description of these methods and consider under which circumstances the…

Machine Learning · Statistics 2012-12-21 Joe Staines , David Barber

Volumetric maps are widely used in robotics due to their desirable properties in applications such as path planning, exploration, and manipulation. Constant advances in mapping technologies are needed to keep up with the improvements in…

Robotics · Computer Science 2023-06-05 Victor Reijgwart , Cesar Cadena , Roland Siegwart , Lionel Ott

We propose an algorithm for a family of optimization problems where the objective can be decomposed as a sum of functions with monotonicity properties. The motivating problem is optimization of hyperparameters of machine learning…

Machine Learning · Computer Science 2018-02-20 Wenyi Wang , William J. Welch

In this paper, we explore adaptive inference based on variational Bayes. Although several studies have been conducted to analyze the contraction properties of variational posteriors, there is still a lack of a general and computationally…

Statistics Theory · Mathematics 2024-03-12 Ilsang Ohn , Lizhen Lin

We consider the optimization of an uncertain objective over continuous and multi-dimensional decision spaces in problems in which we are only provided with observational data. We propose a novel algorithmic framework that is tractable,…

Machine Learning · Statistics 2018-10-30 Dimitris Bertsimas , Christopher McCord