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Many important physical problems, such as fluid structure interaction or conjugate heat transfer, require numerical methods that compute boundary derivatives or fluxes to high accuracy. This paper proposes a novel alternative to calculating…

Numerical Analysis · Mathematics 2018-03-12 David Wells , Jeffrey Banks

Learning the structure of Directed Acyclic Graphs (DAGs) presents a significant challenge due to the vast combinatorial search space of possible graphs, which scales exponentially with the number of nodes. Recent advancements have redefined…

Machine Learning · Computer Science 2024-11-01 Klea Ziu , Slavomír Hanzely , Loka Li , Kun Zhang , Martin Takáč , Dmitry Kamzolov

Graph partitioning is the problem of dividing the nodes of a graph into balanced partitions while minimizing the edge cut across the partitions. Due to its combinatorial nature, many approximate solutions have been developed, including…

Machine Learning · Computer Science 2019-03-05 Azade Nazi , Will Hang , Anna Goldie , Sujith Ravi , Azalia Mirhoseini

We present a stochastic descent algorithm for unconstrained optimization that is particularly efficient when the objective function is slow to evaluate and gradients are not easily obtained, as in some PDE-constrained optimization and…

Optimization and Control · Mathematics 2024-07-08 David Kozak , Stephen Becker , Alireza Doostan , Luis Tenorio

We consider the problem of efficiently computing the derivative of the solution map of a convex cone program, when it exists. We do this by implicitly differentiating the residual map for its homogeneous self-dual embedding, and solving the…

Optimization and Control · Mathematics 2020-05-21 Akshay Agrawal , Shane Barratt , Stephen Boyd , Enzo Busseti , Walaa M. Moursi

Semantic segmentation for scene understanding is nowadays widely demanded, raising significant challenges for the algorithm efficiency, especially its applications on resource-limited platforms. Current segmentation models are trained and…

Computer Vision and Pattern Recognition · Computer Science 2025-03-31 Chaojian Li , Wuyang Chen , Yuchen Gu , Tianlong Chen , Yonggan Fu , Zhangyang Wang , Yingyan Celine Lin

Low-rank matrix approximations are often used to help scale standard machine learning algorithms to large-scale problems. Recently, matrix coherence has been used to characterize the ability to extract global information from a subset of…

Machine Learning · Statistics 2010-09-07 Mehryar Mohri , Ameet Talwalkar

A numerical method is developed to solve linear semi-infinite programming problem (LSIP) in which the iterates produced by the algorithm are feasible for the original problem. This is achieved by constructing a sequence of standard linear…

Optimization and Control · Mathematics 2021-01-26 Shuxiong Wang

This work presents a model reduction approach for problems with coherent structures that propagate over time such as convection-dominated flows and wave-type phenomena. Traditional model reduction methods have difficulties with these…

Numerical Analysis · Mathematics 2020-06-16 Benjamin Peherstorfer

This paper considers an optimization problem for a dynamical system whose evolution depends on a collection of binary decision variables. We develop scalable approximation algorithms with provable suboptimality bounds to provide…

Optimization and Control · Mathematics 2016-10-31 Insoon Yang , Samuel A. Burden , Ram Rajagopal , S. Shankar Sastry , Claire J. Tomlin

It is common in machine learning to estimate a response $y$ given covariate information $x$. However, these predictions alone do not quantify any uncertainty associated with said predictions. One way to overcome this deficiency is with…

Machine Learning · Statistics 2024-06-25 Chancellor Johnstone , Eugene Ndiaye

We build on the dynamical systems approach to deep learning, where deep residual networks are idealized as continuous-time dynamical systems, from the approximation perspective. In particular, we establish general sufficient conditions for…

Machine Learning · Computer Science 2020-06-09 Qianxiao Li , Ting Lin , Zuowei Shen

In a Hilbert setting, for convex differentiable optimization, we develop a general framework for adaptive accelerated gradient methods. They are based on damped inertial dynamics where the coefficients are designed in a closed-loop way.…

Optimization and Control · Mathematics 2025-01-28 Hedy Attouch , Radu Ioan Bot , Dang-Khoa Nguyen

Semidefinite programming (SDP) is a powerful framework from convex optimization that has striking potential for data science applications. This paper develops a provably correct randomized algorithm for solving large, weakly constrained SDP…

Optimization and Control · Mathematics 2021-03-26 Alp Yurtsever , Joel A. Tropp , Olivier Fercoq , Madeleine Udell , Volkan Cevher

The challenge of approximating functions in infinite-dimensional spaces from finite samples is widely regarded as formidable. We delve into the challenging problem of the numerical approximation of Sobolev-smooth functions defined on…

Optimization and Control · Mathematics 2024-10-11 Massimo Fornasier , Pascal Heid , Giacomo Enrico Sodini

This contribution proposes a new formulation to efficiently compute directional derivatives of order one to fourth. The formulation is based on automatic differentiation implemented with dual numbers. Directional derivatives are particular…

Numerical Analysis · Mathematics 2023-06-14 R. Peón-Escalante , K. B. Cantún-Avila , O. Carvente , A. Espinosa-Romero , F. Peñuñuri

A computational procedure is developed for the efficient calculation of derivatives of integrals over non-separable Gaussian-type basis functions, used for the evaluation of gradients of the total energy in quantum-mechanical simulations.…

Materials Science · Physics 2023-05-03 Jacques K. Desmarais , Alessandro De Frenza , Alessandro Erba

This paper proposes the algorithm NOWPAC (Nonlinear Optimization With Path-Augmented Constraints) for nonlinear constrained derivative-free optimization. The algorithm uses a trust region framework based on fully linear models for the…

Optimization and Control · Mathematics 2015-11-18 F. Augustin , Y. M. Marzouk

One of the key limitations of Molecular Dynamics simulations is the computational intractability of sampling protein conformational landscapes associated with either large system size or long timescales. To overcome this bottleneck, we…

Biomolecules · Quantitative Biology 2018-07-09 Zahra Shamsi , Kevin J. Cheng , Diwakar Shukla

We introduce a framework to accelerate the convergence of gradient-based methods with online learning. The framework learns to scale the gradient at each iteration through an online learning algorithm and provably accelerates gradient-based…

Optimization and Control · Mathematics 2024-11-07 Wenzhi Gao , Ya-Chi Chu , Yinyu Ye , Madeleine Udell