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Many challenges in science and engineering, such as drug discovery and communication network design, involve optimizing complex and expensive black-box functions across vast search spaces. Thus, it is essential to leverage existing data to…

Machine Learning · Computer Science 2024-12-04 Juncheng Dong , Zihao Wu , Hamid Jafarkhani , Ali Pezeshki , Vahid Tarokh

Learned optimizers -- neural networks that are trained to act as optimizers -- have the potential to dramatically accelerate training of machine learning models. However, even when meta-trained across thousands of tasks at huge…

Machine Learning · Computer Science 2022-09-23 James Harrison , Luke Metz , Jascha Sohl-Dickstein

Bayesian Optimization (BO) is an efficient tool for optimizing black-box functions, but its theoretical guarantees typically hold in the asymptotic regime. In many critical real-world applications such as drug discovery or materials design,…

Machine Learning · Computer Science 2025-11-04 Diantong Li , Kyunghyun Cho , Chong Liu

The use of black-box optimization for the design of new biological sequences is an emerging research area with potentially revolutionary impact. The cost and latency of wet-lab experiments requires methods that find good sequences in few…

Machine Learning · Computer Science 2020-07-14 Christof Angermueller , David Belanger , Andreea Gane , Zelda Mariet , David Dohan , Kevin Murphy , Lucy Colwell , D Sculley

Recently, the Deep Learning community has become interested in evolutionary optimization (EO) as a means to address hard optimization problems, e.g. meta-learning through long inner loop unrolls or optimizing non-differentiable operators.…

Neural and Evolutionary Computing · Computer Science 2023-11-07 Robert Tjarko Lange , Yujin Tang , Yingtao Tian

Bilevel optimization is characterized by a two-level optimization structure, where the upper-level problem is constrained by optimal lower-level solutions, and such structures are prevalent in real-world problems. The constraint by optimal…

Machine Learning · Computer Science 2025-05-29 Ruth Wan Theng Chew , Quoc Phong Nguyen , Bryan Kian Hsiang Low

We consider the problem of black-box function optimization over the boolean hypercube. Despite the vast literature on black-box function optimization over continuous domains, not much attention has been paid to learning models for…

Developing meta-learning algorithms that are un-biased toward a subset of training tasks often requires hand-designed criteria to weight tasks, potentially resulting in sub-optimal solutions. In this paper, we introduce a new principled and…

Machine Learning · Computer Science 2023-01-05 Cuong Nguyen , Thanh-Toan Do , Gustavo Carneiro

Model-based reinforcement learning (RL) is considered to be a promising approach to reduce the sample complexity that hinders model-free RL. However, the theoretical understanding of such methods has been rather limited. This paper…

Machine Learning · Computer Science 2021-02-16 Yuping Luo , Huazhe Xu , Yuanzhi Li , Yuandong Tian , Trevor Darrell , Tengyu Ma

Bayesian optimization is a powerful method for automating tuning of compilers. The complex landscape of autotuning provides a myriad of rarely considered structural challenges for black-box optimizers, and the lack of standardized…

Machine Learning · Computer Science 2025-04-09 Jacob O. Tørring , Carl Hvarfner , Luigi Nardi , Magnus Själander

The ability to accelerate the design of biological sequences can have a substantial impact on the progress of the medical field. The problem can be framed as a global optimization problem where the objective is an expensive black-box…

Machine Learning · Computer Science 2022-09-15 Leo Feng , Padideh Nouri , Aneri Muni , Yoshua Bengio , Pierre-Luc Bacon

Hybrid metaheuristics are powerful techniques for solving difficult optimization problems that exploit the strengths of different approaches in a single implementation. For algorithm designers, however, creating hybrid metaheuristic…

Neural and Evolutionary Computing · Computer Science 2025-02-18 Christian Camacho-Villalón , Marco Dorigo , Thomas Stützle

Learned optimizers are a crucial component of meta-learning. Recent advancements in scalable learned optimizers have demonstrated their superior performance over hand-designed optimizers in various tasks. However, certain characteristics of…

Machine Learning · Computer Science 2023-06-01 Gaole Dai , Wei Wu , Ziyu Wang , Jie Fu , Shanghang Zhang , Tiejun Huang

Conventional optimization methods in machine learning and controls rely heavily on first-order update rules. Selecting the right method and hyperparameters for a particular task often involves trial-and-error or practitioner intuition,…

Machine Learning · Computer Science 2023-03-31 Tanmay Gautam , Samuel Pfrommer , Somayeh Sojoudi

Algorithm selection, aiming to identify the best algorithm for a given problem, plays a pivotal role in continuous black-box optimization. A common approach involves representing optimization functions using a set of features, which are…

Machine Learning · Computer Science 2025-05-13 Gašper Petelin , Gjorgjina Cenikj

Black-box optimization (BBO) involves functions that are unknown, inexact and/or expensive-to-evaluate. Existing BBO algorithms face several challenges, including high computational cost from extensive evaluations, difficulty in handling…

Optimization and Control · Mathematics 2025-09-26 Zixuan Zhang , Xiaowei Song , Jiaming Li , Yujiao Zeng , Yaling Nie , Min Zhu , Dongyun Lu , Yibo Zhang , Xin Xiao , Jie Li

One critical challenge for large language models (LLMs) for making complex reasoning is their reliance on matching reasoning patterns from training data, instead of proactively selecting the most appropriate cognitive strategy to solve a…

Computation and Language · Computer Science 2025-03-18 Qin Liu , Wenxuan Zhou , Nan Xu , James Y. Huang , Fei Wang , Sheng Zhang , Hoifung Poon , Muhao Chen

The no free lunch theorem states that no model is better suited to every problem. A question that arises from this is how to design methods that propose optimizers tailored to specific problems achieving state-of-the-art performance. This…

Machine Learning · Computer Science 2021-03-08 Hugo Siqueira Gomes , Benjamin Léger , Christian Gagné

Black-box variational inference (BBVI) now sees widespread use in machine learning and statistics as a fast yet flexible alternative to Markov chain Monte Carlo methods for approximate Bayesian inference. However, stochastic optimization…

Machine Learning · Statistics 2025-09-22 Manushi Welandawe , Michael Riis Andersen , Aki Vehtari , Jonathan H. Huggins

Many real-world tasks require optimizing expensive black-box functions accessible only through noisy evaluations, a setting commonly addressed with Bayesian optimization (BO). While Bayesian neural networks (BNNs) have recently emerged as…

Machine Learning · Computer Science 2026-01-14 Farhad Mirkarimi
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