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Recent applications of machine learning and statistical inference provide case studies demonstrating how such approaches can accelerate the discovery process in physical chemistry and related fields. Examples discussed in this review…

Chemical Physics · Physics 2017-06-20 Ryan B. Jadrich , Beth A. Lindquist , Thomas M. Truskett

We present a simple and efficient acceleration technique for an arbitrary method for computing the Euclidean projection of a point onto a convex polytope, defined as the convex hull of a finite number of points, in the case when the number…

Optimization and Control · Mathematics 2024-10-28 M. V. Dolgopolik

Hamiltonian Monte Carlo (HMC) algorithms which combine numerical approximation of Hamiltonian dynamics on finite intervals with stochastic refreshment and Metropolis correction are popular sampling schemes, but it is known that they may…

Computation · Statistics 2022-08-16 Peter A. Whalley , Daniel Paulin , Benedict Leimkuhler

We introduce an iterative method to search for time-optimal Hamiltonians that drive a quantum system between two arbitrary, and in general mixed, quantum states. The method is based on the idea of progressively improving the efficiency of…

Quantum Physics · Physics 2019-12-25 Francesco Campaioli , William Sloan , Kavan Modi , Felix Alexander Pollock

We analyze convergence rates of stochastic optimization procedures for non-smooth convex optimization problems. By combining randomized smoothing techniques with accelerated gradient methods, we obtain convergence rates of stochastic…

Optimization and Control · Mathematics 2012-04-10 John C. Duchi , Peter L. Bartlett , Martin J. Wainwright

Optimization is an important module of modern machine learning applications. Tremendous efforts have been made to accelerate optimization algorithms. A common formulation is achieving a lower loss at a given time. This enables a…

Machine Learning · Computer Science 2025-05-29 Zhonglin Xie , Yiman Fong , Haoran Yuan , Zaiwen Wen

We propose a framework for speeding up maximum flow computation by using predictions. A prediction is a flow, i.e., an assignment of non-negative flow values to edges, which satisfies the flow conservation property, but does not necessarily…

Data Structures and Algorithms · Computer Science 2022-07-27 Adam Polak , Maksym Zub

Optimization of expensive computer models with the help of Gaussian process emulators in now commonplace. However, when several (competing) objectives are considered, choosing an appropriate sampling strategy remains an open question. We…

Optimization and Control · Mathematics 2013-10-03 Victor Picheny

Promoting and maintaining diversity of candidate solutions is a key requirement of evolutionary algorithms in general and multi-objective evolutionary algorithms in particular. In this paper, we use the recently developed theory of…

Neural and Evolutionary Computing · Computer Science 2023-03-15 Steve Huntsman

This work proposes an accelerated first-order algorithm we call the Robust Momentum Method for optimizing smooth strongly convex functions. The algorithm has a single scalar parameter that can be tuned to trade off robustness to gradient…

Optimization and Control · Mathematics 2018-02-27 Saman Cyrus , Bin Hu , Bryan Van Scoy , Laurent Lessard

Sampling a target probability distribution with an unknown normalization constant is a fundamental challenge in computational science and engineering. Recent work shows that algorithms derived by considering gradient flows in the space of…

Machine Learning · Statistics 2024-03-12 Yifan Chen , Daniel Zhengyu Huang , Jiaoyang Huang , Sebastian Reich , Andrew M Stuart

We present a new modeling paradigm for optimization that we call random field optimization. Random fields are a powerful modeling abstraction that aims to capture the behavior of random variables that live on infinite-dimensional spaces…

Optimization and Control · Mathematics 2022-01-26 Joshua L. Pulsipher , Benjamin R. Davidson , Victor M. Zavala

We discuss non-Euclidean deterministic and stochastic algorithms for optimization problems with strongly and uniformly convex objectives. We provide accuracy bounds for the performance of these algorithms and design methods which are…

Optimization and Control · Mathematics 2014-01-09 Anatoli Iouditski , Yuri Nesterov

We address an optimization problem where the cost function is the expectation of a random mapping. To tackle the problem two approaches based on the approximation of the objective function by consensus-based particle optimization methods on…

Optimization and Control · Mathematics 2025-11-24 Sabrina Bonandin , Michael Herty

Product formulas can be used to simulate Hamiltonian dynamics on a quantum computer by approximating the exponential of a sum of operators by a product of exponentials of the individual summands. This approach is both straightforward and…

Quantum Physics · Physics 2019-09-04 Andrew M. Childs , Aaron Ostrander , Yuan Su

Mini-batch algorithms have been proposed as a way to speed-up stochastic convex optimization problems. We study how such algorithms can be improved using accelerated gradient methods. We provide a novel analysis, which shows how standard…

Machine Learning · Computer Science 2011-06-24 Andrew Cotter , Ohad Shamir , Nathan Srebro , Karthik Sridharan

We describe a convergence acceleration technique for unconstrained optimization problems. Our scheme computes estimates of the optimum from a nonlinear average of the iterates produced by any optimization method. The weights in this average…

Optimization and Control · Mathematics 2019-04-16 Damien Scieur , Alexandre d'Aspremont , Francis Bach

This paper tackles the problem of discretizing accelerated optimization flows while retaining their convergence properties. Inspired by the success of resource-aware control in developing efficient closed-loop feedback implementations on…

Optimization and Control · Mathematics 2020-09-22 Miguel Vaquero , Pol Mestres , Jorge Cortés

Imitation learning is a promising approach for enabling generalist capabilities in humanoid robots, but its scaling is fundamentally constrained by the scarcity of high-quality expert demonstrations. This limitation can be mitigated by…

Robotics · Computer Science 2025-08-21 Quentin Rouxel , Clemente Donoso , Fei Chen , Serena Ivaldi , Jean-Baptiste Mouret

We present an acceleration method for sequences of large-scale linear systems, such as the ones arising from the numerical solution of time-dependent partial differential equations coupled with algebraic constraints. We discuss different…

Numerical Analysis · Mathematics 2024-03-29 Margherita Guido , Daniel Kressner , Paolo Ricci