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A fundamental objective of materials modeling is identifying atomic structures that align with experimental observables. Conventional approaches for disordered materials involve sampling from thermodynamic ensembles and hoping for an…

Materials Science · Physics 2025-09-30 Tigany Zarrouk , Miguel A. Caro

This article presents the toolbox FormOpt for two- and three-dimensional shape optimization with parallel computing capabilities, built on the FEniCSx software framework. We introduce fundamental concepts of shape sensitivity analysis and…

Optimization and Control · Mathematics 2026-01-12 Josué D. Díaz-Avalos , Antoine Laurain

SnadiOpt is a package that supports the use of the automatic differentiation package ADIFOR with the optimization package Snopt. Snopt is a general-purpose system for solving optimization problems with many variables and constraints. It…

Mathematical Software · Computer Science 2007-05-23 E. Michael Gertz , Philip E. Gill , Julia Muetherig

The performance of optimization algorithms relies crucially on their parameterizations. Finding good parameter settings is called algorithm tuning. The sequential parameter optimization (SPOT) package for R is a toolbox for tuning and…

Mathematical Software · Computer Science 2021-03-05 Thomas Bartz-Beielstein , Martin Zaefferer , Frederik Rehbach

Architecture optimization is the process of automatically generating design options, typically to enhance software's quantifiable quality attributes, such as performance and reliability. Multi-objective optimization approaches have been…

Software Engineering · Computer Science 2024-01-31 Daniele Di Pompeo , Michele Tucci

Modern compilers optimize programs through a sequence of modular passes over intermediate representations (IR). While this pass-by-pass paradigm offers engineering benefits, it suffers from a pass coordination problem: locally beneficial…

Programming Languages · Computer Science 2026-02-24 Lei Qiu , Zi Yang , Fang Lyu , Ming Zhong , Huimin Cui , Xiaobing Feng

We propose SonOpt, the first (open source) data sonification application for monitoring the progress of bi-objective population-based optimization algorithms during search, to facilitate algorithm understanding. SonOpt provides insights…

Neural and Evolutionary Computing · Computer Science 2022-02-25 Tasos Asonitis , Richard Allmendinger , Matt Benatan , Ricardo Climent

We present SCULPT (Supervised Clustering and Uncovering Latent Patterns with Training), a comprehensive software platform for analyzing tabulated high-dimensional multi-particle coincidence data from Cold Target Recoil Ion Momentum…

Atomic and Molecular Clusters · Physics 2026-05-20 Hazem Daoud , Sarvesh Kumar , Jin Qian , Tanny Chavez , Daniel Slaughter , Thorsten Weber

Formation mechanisms are fundamental to the study of complex networks, but learning them from observations is challenging. In real-world domains, one often has access only to the final constructed graph, instead of the full construction…

Machine Learning · Computer Science 2020-07-08 Rakshit Trivedi , Jiachen Yang , Hongyuan Zha

Pre-implementation behavioural simulation routinely validates functional correctness, yet it also produces rich switching-activity traces that are typically discarded by FPGA computer-aided design (CAD) flows. Prior simulation-guided and…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-28 Eashan Wadhwa , Georgios Floros , Shanker Shreejith

The sequential parameter optimization (SPOT) package for R is a toolbox for tuning and understanding simulation and optimization algorithms. Model-based investigations are common approaches in simulation and optimization. Sequential…

Neural and Evolutionary Computing · Computer Science 2010-06-25 Thomas Bartz-Beielstein

Computational protein structure determination involves optimization in a problem space much too large to exhaustively search. Existing approaches include optimization algorithms such as gradient descent and simulated annealing, but these…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-08-04 Michael Bryson , Xijiang Miao , Homayoun Valafar

Optical materials with special optical properties are widely used in a broad span of technologies, from computer displays to solar energy utilization leading to large dataset accumulated from years of extensive materials synthesis and…

Materials Science · Physics 2020-11-26 Rongzhi Dong , Yabo Dan , Xiang Li , Jianjun Hu

Understanding the behavior of numerical metaheuristic optimization algorithms is critical for advancing their development and application. Traditional visualization techniques, such as convergence plots, trajectory mapping, and fitness…

Neural and Evolutionary Computing · Computer Science 2025-07-04 Gjorgjina Cenikj , Gašper Petelin , Tome Eftimov

The operation of industrial facilities is a broad field for optimization. Industrial plants are often a) composed of several components, b) linked using network technology, c) physically interconnected and d) complex regarding the effect of…

Systems and Control · Electrical Eng. & Systems 2022-06-30 Gregor Thiele , Theresa Johanni , David Sommer , Jörg Krüger

Meta-materials are an important emerging class of engineered materials in which complex macroscopic behaviour--whether electromagnetic, thermal, or mechanical--arises from modular substructure. Simulation and optimization of these materials…

Machine Learning · Computer Science 2020-05-18 Alex Beatson , Jordan T. Ash , Geoffrey Roeder , Tianju Xue , Ryan P. Adams

The project aims to explore a novel way to design and produce cellular materials with good energy absorption and recoverability properties. Spinodoid structures offer an alternative to engineering structures such as honeycombs and foam with…

In recent years, the quantum computing community has seen an explosion of novel methods to implement non-trivial quantum computations on near-term hardware. An important direction of research has been to decompose an arbitrary entangled…

Quantum Physics · Physics 2021-11-24 Harsha Nagarajan , Owen Lockwood , Carleton Coffrin

Automated code optimization aims to improve performance in programs by refactoring code, and recent studies focus on utilizing LLMs for the optimization. Typical existing approaches mine optimization commits from open-source codebases to…

Software Engineering · Computer Science 2025-10-21 Yuwei Zhao , Yuan-An Xiao , Qianyu Xiao , Zhao Zhang , Yingfei Xiong

Optimization of large structures of multiple components is essential to many industries for minimizing mass, especially the design of aerospace vehicles. Optimizing a single primary load member independently of all other primary structures…

Numerical Analysis · Mathematics 2016-02-16 Alexander Lavin , Giovanni Greco , Kenjji Shimada