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Machine learning frameworks based on correlations of interatomic positions begin with a discretized description of the density of other atoms in the neighbourhood of each atom in the system. Symmetry considerations support the use of…

Chemical Physics · Physics 2023-05-25 Filippo Bigi , Kevin Huguenin-Dumittan , Michele Ceriotti , David E. Manolopoulos

This paper presents a novel method for reformulating non-differentiable collision avoidance constraints into smooth nonlinear constraints using strong duality of convex optimization. We focus on a controlled object whose goal is to avoid…

Optimization and Control · Mathematics 2018-06-12 Xiaojing Zhang , Alexander Liniger , Francesco Borrelli

In this work, a nonlinear momentum method is introduced to enhance the convergence performance of momentum-based gradient optimization algorithms. Classical momentum methods, such as the Heavy Ball method, can be viewed as a dynamical…

Computational Physics · Physics 2026-02-09 Jianing Zhang , Rumei Liu

We develop a numerical homogenization method for fourth-order singular perturbation problems within the framework of heterogeneous multiscale method. These problems arise from heterogeneous strain gradient elasticity and elasticity models…

Numerical Analysis · Mathematics 2025-07-09 Yulei Liao , Pingbing Ming

This paper proposes a scalable Bayesian optimization (BO) framework for dense base-station (BS) configuration design. BO can find an optimal BS configuration by iterating parameter search, channel simulation, and probabilistic modeling of…

Information Theory · Computer Science 2026-02-19 Kakeru Takamori , Koya Sato

We formulate a novel numerical method suitable for the solution of topology optimization problems in solid mechanics. The most salient feature of the new approach is that the space and time discrete equations of the numerical method can be…

Numerical Analysis · Mathematics 2025-04-16 Edmund Bell-Navas , David Portillo , Ignacio Romero

We study bilevel optimization with a fixed polyhedral lower feasible set. Such problems are challenging for two reasons: active-set changes can make the upper objective nonsmooth, and existing hypergradient methods typically require…

Optimization and Control · Mathematics 2026-05-13 Tenglong Hong , Paul Grigas

In the past few years, following the differentiable programming paradigm, there has been a growing interest in computing the gradient information of physical processes (e.g., physical simulation, image rendering). However, such processes…

Robotics · Computer Science 2022-06-24 Quentin Le Lidec , Louis Montaut , Cordelia Schmid , Ivan Laptev , Justin Carpentier

A novel and highly efficient computational framework for reconstructing binary-type images suitable for models of various complexity seen in diverse biomedical applications is developed and validated. Efficiency in computational speed and…

Optimization and Control · Mathematics 2024-02-09 Paul R. Arbic , Vladislav Bukshtynov

While 3D Gaussian Splatting (3DGS) excels in static scene modeling, its extension to dynamic scenes introduces significant challenges. Existing dynamic 3DGS methods suffer from either over-smoothing due to low-rank decomposition or feature…

Graphics · Computer Science 2025-08-08 Yifan Zhou , Beizhen Zhao , Pengcheng Wu , Hao Wang

We develop a spectral low-mode reduced solver for second-order elliptic boundary value problems with spatially varying diffusion coefficients. The approach projects standard finite difference or finite element discretization onto a global…

Numerical Analysis · Mathematics 2025-12-23 Prosper Torsu

This paper presents an adaptive discretization strategy for level set topology optimization of structures based on hierarchical B-splines. This work focuses on the influence of the discretization approach and the adaptation strategy on the…

Numerical Analysis · Mathematics 2019-09-25 L. Noel , M. Schmidt , C. Messe , J. A. Evans , K. Maute

We propose a communication-efficient optimally structured gradient coding scheme to jointly address straggler resilience and communication efficiency in heterogeneous distributed learning. By establishing a unified framework that…

Systems and Control · Electrical Eng. & Systems 2026-05-18 Heekang Song , Wan Choi

We develop a computational approach that significantly improves the efficiency of Bayesian optimal experimental design (BOED) using local radial basis functions (RBFs). The presented RBF--BOED method uses the intrinsic ability of RBFs to…

Computational Physics · Physics 2025-05-20 Tianyi Chu , Jonathan B. Estrada , Spencer H. Bryngelson

Multilevel optimization has gained renewed interest in machine learning due to its promise in applications such as hyperparameter tuning and continual learning. However, existing methods struggle with the inherent difficulty of efficiently…

Machine Learning · Computer Science 2024-10-16 Yuntian Gu , Xuzheng Chen

In this thesis, I explore the possibilities of conducting Bayesian optimization techniques in high dimensional domains. Although high dimensional domains can be defined to be between hundreds and thousands of dimensions, we will primarily…

Machine Learning · Computer Science 2020-10-09 David Yenicelik

This work is concerned with the micro-architecture of multi-layer material that globally exhibits desired mechanical properties, for instance a negative apparent Poisson ratio. We use inverse homogenization, the level set method, and the…

Optimization and Control · Mathematics 2019-01-30 Grigor Nika , Andrei Constantinescu

This paper presents a novel phase-field-based methodology for solving minimum compliance problems in topology optimization under fixed external loads and body forces. The proposed framework characterizes the optimal structure through an…

Optimization and Control · Mathematics 2025-07-23 Huangxin Chen , Piaopiao Dong , Dong Wang , Xiao-Ping Wang

Constrained blackbox optimization is a difficult problem, with most approaches coming from the mathematical programming literature. The statistical literature is sparse, especially in addressing problems with nontrivial constraints. This…

Functional gradients have recently experienced an explosion in activity due to advances in manufacturing, where compositions can now be spatially varied on-the-fly during fabrication. In addition, modern computational thermodynamics has…

Computational Physics · Physics 2025-03-14 Samuel Price , Zhaoxi Cao , Ian McCue
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