Related papers: Comparative numerical results on HANSO (Hybrid Alg…
PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dynamics softwares. While the computational cost of PLUMED…
This study introduces the LPBSA, an advanced optimization algorithm that combines Learner Performance-based Behavior (LPB) and Simulated Annealing (SA) in a hybrid approach. Emphasizing metaheuristics, the LPBSA addresses and mitigates the…
Because the choice and tuning of the optimizer affects the speed, and ultimately the performance of deep learning, there is significant past and recent research in this area. Yet, perhaps surprisingly, there is no generally agreed-upon…
PHYSBO (optimization tools for PHYSics based on Bayesian Optimization) is a Python library for fast and scalable Bayesian optimization. It has been developed mainly for application in the basic sciences such as physics and materials…
Disassembly of binary code is hard, but necessary for improving the security of binary software. Over the past few decades, research in binary disassembly has produced many tools and frameworks, which have been made available to researchers…
This report offers a comprehensive analysis of the evolving landscape of quantum algorithm software specifically tailored for condensed matter physics. It examines fundamental quantum algorithms such as Variational Quantum Eigensolver…
This article aims to provide a comprehensive overview of sparse optimization, with a focus on both sparse signal recovery and sparse regularization techniques. We will begin by exploring the foundations of sparse optimization, delving into…
In this paper, we focus on solving an important class of nonconvex optimization problems which includes many problems for example signal processing over a networked multi-agent system and distributed learning over networks. Motivated by…
The growing usage of research software in the research community has highlighted the need to recognize and acknowledge the contributions made not only by researchers but also by Research Software Engineers. However, the existing methods for…
We consider the challenge of black-box optimization within hybrid discrete-continuous and variable-length spaces, a problem that arises in various applications, such as decision tree learning and symbolic regression. We propose DisCo-DSO…
We introduce a new framework for analyzing (Quasi-}Newton type methods applied to non-smooth optimization problems. The source of randomness comes from the evaluation of the (approximation) of the Hessian. We derive, using a variant of…
According to the published papers and books since the turn of the century, Pareto optimization is the dominating assessment method for multi-objective nonlinear optimization problems treated by population-based optimizers like Evolutionary…
This paper introduces a novel method for finding integer sets that satisfy the Pythagorean theorem by leveraging the Higher-Order Binary Optimization (HOBO) formulation. Unlike the Quadratic Unconstrained Binary Optimization (QUBO)…
This paper highlights new opportunities for designing large-scale machine learning systems as a consequence of blurring traditional boundaries that have allowed algorithm designers and application-level practitioners to stay -- for the most…
Combinatorial optimization is a challenging problem applicable in a wide range of fields from logistics to finance. Recently, quantum computing has been used to attempt to solve these problems using a range of algorithms, including…
In this work, we consider methods for solving large-scale optimization problems with a possibly nonsmooth objective function. The key idea is to first specify a class of optimization algorithms using a generic iterative scheme involving…
Hyperparameter optimization and neural architecture search can become prohibitively expensive for regular black-box Bayesian optimization because the training and evaluation of a single model can easily take several hours. To overcome this,…
Zeroth-order (ZO) optimization enables dimension-free communication in federated learning (FL), making it attractive for fine-tuning of large language models (LLMs) due to significant communication savings. However, existing ZO-FL methods…
We consider the problem of optimizing a high-dimensional convex function using stochastic zeroth-order queries. Under sparsity assumptions on the gradients or function values, we present two algorithms: a successive component/feature…
Despite all the benefits of automated hyperparameter optimization (HPO), most modern HPO algorithms are black-boxes themselves. This makes it difficult to understand the decision process which leads to the selected configuration, reduces…