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Black-box optimization methods play an important role in many fields of computational simulation. In particular, such methods are often used in the design and modelling of biological systems, including proteins and their complexes with…

Biomolecules · Quantitative Biology 2023-02-08 Dmitry Morozov , Artem Melnikov , Vishal Shete , Michael Perelshtein

Computing with discrete representations of high-dimensional probability distributions is fundamental to uncertainty quantification, Bayesian inference, and stochastic modeling. However, storing and manipulating such distributions suffers…

Numerical Analysis · Mathematics 2025-10-03 Gerhard Kirsten , Bilgesu Bilgin , Janith Petangoda , Phillip Stanley-Marbell

Estimation of probability density function from samples is one of the central problems in statistics and machine learning. Modern neural network-based models can learn high dimensional distributions but have problems with hyperparameter…

Machine Learning · Computer Science 2022-02-28 Georgii S. Novikov , Maxim E. Panov , Ivan V. Oseledets

We propose a sampling-based trajectory optimization methodology for constrained problems. We extend recent works on stochastic search to deal with box control constraints,as well as nonlinear state constraints for discrete dynamical…

Optimization and Control · Mathematics 2019-11-13 George I. Boutselis , Ziyi Wang , Evangelos A. Theodorou

Compressed sensing is a signal processing method that acquires data directly in a compressed form. This allows one to make less measurements than what was considered necessary to record a signal, enabling faster or more precise measurement…

Statistical Mechanics · Physics 2012-08-20 Florent Krzakala , Marc Mézard , François Sausset , Yifan Sun , Lenka Zdeborová

We present a new optimization method for the group selection problem in linear regression. In this problem, predictors are assumed to have a natural group structure and the goal is to select a small set of groups that best fits the…

Methodology · Statistics 2024-04-23 Anant Mathur , Sarat Moka , Benoit Liquet , Zdravko Botev

We propose a novel information-theoretic approach for Bayesian optimization called Predictive Entropy Search (PES). At each iteration, PES selects the next evaluation point that maximizes the expected information gained with respect to the…

Machine Learning · Statistics 2014-06-11 José Miguel Hernández-Lobato , Matthew W. Hoffman , Zoubin Ghahramani

Tensor train (TT) format is a common approach for computationally efficient work with multidimensional arrays, vectors, matrices, and discretized functions in a wide range of applications, including computational mathematics and machine…

Numerical Analysis · Mathematics 2022-09-30 Andrei Chertkov , Gleb Ryzhakov , Georgii Novikov , Ivan Oseledets

In this study, we introduce a novel family of tensor networks, termed constrained matrix product states (MPS), designed to incorporate exactly arbitrary discrete linear constraints, including inequalities, into sparse block structures.…

Numerical Analysis · Mathematics 2025-07-10 Javier Lopez-Piqueres , Jing Chen

We present a novel adaptive optimization algorithm for black-box multi-objective optimization problems with binary constraints on the foundation of Bayes optimization. Our method is based on probabilistic regression and classification…

Machine Learning · Statistics 2021-03-01 Raoul Heese , Michael Bortz

We present a novel method called TESALOCS (TEnsor SAmpling and LOCal Search) for multidimensional optimization, combining the strengths of gradient-free discrete methods and gradient-based approaches. The discrete optimization in our method…

Optimization and Control · Mathematics 2025-05-20 Konstantin Sozykin , Andrei Chertkov , Anh-Huy Phan , Ivan Oseledets , Gleb Ryzhakov

Black-box policy optimization is a class of reinforcement learning algorithms that explores and updates the policies at the parameter level. This class of algorithms is widely applied in robotics with movement primitives or…

Machine Learning · Computer Science 2022-03-22 Marius Memmel , Puze Liu , Davide Tateo , Jan Peters

We present a tensorization algorithm for constructing tensor train/matrix product state (MPS) representations of functions, drawing on sketching and cross interpolation ideas. The method only requires black-box access to the target function…

Numerical Analysis · Mathematics 2026-01-21 José Ramón Pareja Monturiol , Alejandro Pozas-Kerstjens , David Pérez-García

This paper is dedicated to an efficient compression of weights and optimizer states (called checkpoints) obtained at different stages during a neural network training process. First, we propose a prediction-based compression approach, where…

Machine Learning · Computer Science 2025-06-16 Yuriy Kim , Evgeny Belyaev

We present a novel probabilistic approach for optimal path experimental design. In this approach a discrete path optimization problem is defined on a static navigation mesh, and trajectories are modeled as random variables governed by a…

Optimization and Control · Mathematics 2026-01-19 Ahmed Attia

Models incorporating uncertain inputs, such as random forces or material parameters, have been of increasing interest in PDE-constrained optimization. In this paper, we focus on the efficient numerical minimization of a convex and smooth…

Optimization and Control · Mathematics 2021-06-18 Caroline Geiersbach , Winnifried Wollner

The convergence of many numerical optimization techniques is highly dependent on the initial guess given to the solver. To address this issue, we propose a novel approach that utilizes tensor methods to initialize existing optimization…

Robotics · Computer Science 2023-11-23 Suhan Shetty , Teguh Lembono , Tobias Loew , Sylvain Calinon

The task of sampling from a probability density can be approached as transporting a tractable density function to the target, known as dynamical measure transport. In this work, we tackle it through a principled unified framework using…

Sparse estimation methods are aimed at using or obtaining parsimonious representations of data or models. They were first dedicated to linear variable selection but numerous extensions have now emerged such as structured sparsity or kernel…

Machine Learning · Computer Science 2011-11-24 Francis Bach , Rodolphe Jenatton , Julien Mairal , Guillaume Obozinski

Rejection sampling is a technique for sampling from difficult distributions. However, its use is limited due to a high rejection rate. Common adaptive rejection sampling methods either work only for very specific distributions or without…

Machine Learning · Statistics 2026-04-27 Akram Erraqabi , Michal Valko , Alexandra Carpentier , Odalric-Ambrym Maillard
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