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Bayesian optimization (BO) is a model-based approach to sequentially optimize expensive black-box functions, such as the validation error of a deep neural network with respect to its hyperparameters. In many real-world scenarios, the…

Machine Learning · Statistics 2019-10-17 Valerio Perrone , Iaroslav Shcherbatyi , Rodolphe Jenatton , Cedric Archambeau , Matthias Seeger

Black-box discrete optimization (BB-DO) problems arise in many real-world applications, such as neural architecture search and mathematical model estimation. A key challenge in BB-DO is epistasis among parameters where multiple variables…

Neural and Evolutionary Computing · Computer Science 2025-05-01 Aoi Kato , Kenta Kojima , Masahiro Nomura , Isao Ono

Quality Diversity (QD) has emerged as a powerful alternative optimization paradigm that aims at generating large and diverse collections of solutions, notably with its flagship algorithm MAP-ELITES (ME) which evolves solutions through…

Neural and Evolutionary Computing · Computer Science 2023-06-16 Thomas Pierrot , Arthur Flajolet

Low precision arithmetic, in particular half precision floating point arithmetic, is now available in commercial hardware. Using lower precision can offer significant savings in computation and communication costs with proportional savings…

Numerical Analysis · Mathematics 2021-11-16 Eda Oktay , Erin Carson

Kalman filters are routinely used for many data fusion applications including navigation, tracking, and simultaneous localization and mapping problems. However, significant time and effort is frequently required to tune various Kalman…

Machine Learning · Statistics 2018-07-25 Zhaozhong Chen , Christoffer Heckman , Simon Julier , Nisar Ahmed

Some experimental investigations have shown that evolutionary algorithms (EAs) are efficient for the minimum label spanning tree (MLST) problem. However, we know little about that in theory. As one step towards this issue, we theoretically…

Neural and Evolutionary Computing · Computer Science 2014-09-11 Xinsheng Lai , Yuren Zhou , Jun He , Jun Zhang

Selecting the most suitable algorithm and determining its hyperparameters for a given optimization problem is a challenging task. Accurately predicting how well a certain algorithm could solve the problem is hence desirable. Recent studies…

Neural and Evolutionary Computing · Computer Science 2022-04-18 Ana Kostovska , Diederick Vermetten , Sašo Džeroski , Carola Doerr , Peter Korošec , Tome Eftimov

Pretrained equivariant graph neural networks based on spherical harmonics offer efficient and accurate alternatives to computationally expensive ab-initio methods, yet adapting them to new tasks and chemical environments still requires…

Machine Learning · Computer Science 2025-12-12 Dian Jin , Yancheng Yuan , Xiaoming Tao

The identification of governing equations for dynamical systems is everlasting challenges for the fundamental research in science and engineering. Machine learning has exhibited great success to learn and predict dynamical systems from…

Optimization and Control · Mathematics 2022-09-27 Zhongshun Shi , Hang Ma , Hoang Tran , Guannan Zhang

Modern computer architectures support low-precision arithmetic, which present opportunities for the adoption of mixed-precision algorithms to achieve high computational throughput and reduce energy consumption. As a growing number of…

Computation · Statistics 2024-12-02 Sahil Bhola , Karthik Duraisamy

We propose Conformal Mixed-Integer Constraint Learning (C-MICL), a novel framework that provides probabilistic feasibility guarantees for data-driven constraints in optimization problems. While standard Mixed-Integer Constraint Learning…

Machine Learning · Computer Science 2025-06-05 Daniel Ovalle , Lorenz T. Biegler , Ignacio E. Grossmann , Carl D. Laird , Mateo Dulce Rubio

Weight-perturbation evolution strategies (ES) can fine-tune billion-parameter language models with surprisingly small populations (e.g., $N\!\approx\!30$), contradicting classical zeroth-order curse-of-dimensionality intuition. We also…

Machine Learning · Computer Science 2026-02-03 Qiyao Liang , Jinyeop Song , Yizhou Liu , Jeff Gore , Ila Fiete , Risto Miikkulainen , Xin Qiu

A theoretical performance analysis of the $(\mu/\mu_I,\lambda)$-$\sigma$-Self-Adaptation Evolution Strategy ($\sigma$SA-ES) is presented considering a conically constrained problem. Infeasible offspring are repaired using projection onto…

Neural and Evolutionary Computing · Computer Science 2018-12-18 Patrick Spettel , Hans-Georg Beyer

There has been considerable interest in making Bayesian inference more scalable. In big data settings, most literature focuses on reducing the computing time per iteration, with less focused on reducing the number of iterations needed in…

Methodology · Statistics 2017-09-28 Leo L. Duan , James E. Johndrow , David B. Dunson

Primal-dual interior-point methods solve constrained convex optimization problems to tight tolerances with speed and robustness. Their solutions are also efficiently differentiable with respect to the problem data through the implicit…

Optimization and Control · Mathematics 2026-05-19 Jon Arrizabalaga , Kevin Tracy , Zachary Manchester

Discrete black-box optimization problems are challenging for model-based optimization (MBO) algorithms, such as Bayesian optimization, due to the size of the search space and the need to satisfy combinatorial constraints. In particular,…

Optimization and Control · Mathematics 2022-06-15 Theodore Papalexopoulos , Christian Tjandraatmadja , Ross Anderson , Juan Pablo Vielma , David Belanger

This paper studies the problem of post-hoc calibration of machine learning classifiers. We introduce the following desiderata for uncertainty calibration: (a) accuracy-preserving, (b) data-efficient, and (c) high expressive power. We show…

Machine Learning · Computer Science 2020-07-01 Jize Zhang , Bhavya Kailkhura , T. Yong-Jin Han

Masked autoencoders (MAEs) represent a prominent self-supervised learning paradigm in computer vision. Despite their empirical success, the underlying mechanisms of MAEs remain insufficiently understood. Recent studies have attempted to…

Computer Vision and Pattern Recognition · Computer Science 2025-02-28 Tao Huang , Yanxiang Ma , Shan You , Chang Xu

Model merging has recently emerged as a lightweight alternative to ensembling, combining multiple fine-tuned models into a single set of parameters with no additional training overhead. Yet, existing merging methods fall short of matching…

We introduce the technique of adaptive discretization to design an efficient model-based episodic reinforcement learning algorithm in large (potentially continuous) state-action spaces. Our algorithm is based on optimistic one-step value…

Machine Learning · Computer Science 2020-10-26 Sean R. Sinclair , Tianyu Wang , Gauri Jain , Siddhartha Banerjee , Christina Lee Yu
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