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Bayesian Optimization (BO) is a data-efficient method for global black-box optimization of an expensive-to-evaluate fitness function. BO typically assumes that computation cost of BO is cheap, but experiments are time consuming or costly.…

Bayesian optimization (BO) is one of the most effective methods for closed-loop experimental design and black-box optimization. However, a key limitation of BO is that it is an inherently sequential algorithm (one experiment is proposed per…

机器学习 · 统计学 2023-11-21 Leonardo D. González , Victor M. Zavala

Impactful applications such as materials discovery, hardware design, neural architecture search, or portfolio optimization require optimizing high-dimensional black-box functions with mixed and combinatorial input spaces. While Bayesian…

机器学习 · 计算机科学 2024-03-21 Leonard Papenmeier , Luigi Nardi , Matthias Poloczek

We study the problem of optimizing expensive blackbox functions over combinatorial spaces (e.g., sets, sequences, trees, and graphs). BOCS (Baptista and Poloczek, 2018) is a state-of-the-art Bayesian optimization method for tractable…

机器学习 · 计算机科学 2020-08-20 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa

While Weighted Lasso sparse regression has appealing statistical guarantees that would entail a major real-world impact in finance, genomics, and brain imaging applications, it is typically scarcely adopted due to its complex…

机器学习 · 计算机科学 2022-06-13 Kenan Šehić , Alexandre Gramfort , Joseph Salmon , Luigi Nardi

Black-box zero-th order optimization is a central primitive for applications in fields as diverse as finance, physics, and engineering. In a common formulation of this problem, a designer sequentially attempts candidate solutions, receiving…

机器学习 · 计算机科学 2024-07-08 Yunchuan Zhang , Sangwoo Park , Osvaldo Simeone

Regression testing is key in verifying that software works correctly after changes. However, running the entire regression test suite can be impractical and expensive, especially for large-scale systems. Test suite optimization methods are…

量子物理 · 物理学 2025-05-01 Antonio Trovato , Martin Beseda , Dario Di Nucci

Optimizing high-dimensional and complex black-box functions is crucial in numerous scientific applications. While Bayesian optimization (BO) is a powerful method for sample-efficient optimization, it struggles with the curse of…

机器学习 · 计算机科学 2025-07-08 Taeyoung Yun , Kiyoung Om , Jaewoo Lee , Sujin Yun , Jinkyoo Park

Bayesian optimization (BO) is a sequential decision-making tool widely used for optimizing expensive black-box functions. Recently, Large Language Models (LLMs) have shown remarkable adaptability in low-data regimes, making them promising…

机器学习 · 计算机科学 2025-10-10 Chih-Yu Chang , Milad Azvar , Chinedum Okwudire , Raed Al Kontar

N-body simulations are essential tools in physical cosmology to understand the large-scale structure (LSS) formation of the Universe. Large-scale simulations with high resolution are important for exploring the substructure of universe and…

计算物理 · 物理学 2020-10-22 Shenggan Cheng , Hao-Ran Yu , Derek Inman , Qiucheng Liao , Qiaoya Wu , James Lin

The ability to maintain and manipulate information over time is a fundamental aspect of living beings and Artificial Intelligence. While modern models have achieved remarkable success in tasks like natural language processing, evaluating…

人工智能 · 计算机科学 2026-05-20 Yannis Bendi-Ouis , Romain de Coudenhove , Xavier Hinaut

In this survey, we introduce Meta-Black-Box-Optimization~(MetaBBO) as an emerging avenue within the Evolutionary Computation~(EC) community, which incorporates Meta-learning approaches to assist automated algorithm design. Despite the…

神经与进化计算 · 计算机科学 2025-05-01 Zeyuan Ma , Hongshu Guo , Yue-Jiao Gong , Jun Zhang , Kay Chen Tan

Scientific computing has experienced a surge empowered by advancements in technologies such as neural networks. However, certain important tasks are less amenable to these technologies, benefiting from innovations to traditional inference…

生物大分子 · 定量生物学 2023-09-04 Bobak Pezeshki , Radu Marinescu , Alexander Ihler , Rina Dechter

Bayesian optimization is a powerful tool for solving real-world optimization tasks under tight evaluation budgets, making it well-suited for applications involving costly simulations or experiments. However, many of these tasks are also…

机器学习 · 计算机科学 2025-06-18 Paolo Ascia , Elena Raponi , Thomas Bäck , Fabian Duddeck

Rotations have become essential to state-of-the-art quantization pipelines for large language models (LLMs) by effectively smoothing outliers in weights and activations. However, further optimizing the rotation parameters offers only…

机器学习 · 计算机科学 2025-09-01 Liulu He , Shenli Zheng , Karwei Sun , Yijiang Liu , Yufei Zhao , Chongkang Tan , Huanrui Yang , Yuan Du , Li Du

Quantum Software Engineering (QSE) is essential for ensuring the reliability and maintainability of hybrid quantum-classical systems, yet empirical evidence on how bugs emerge and affect quality in real-world quantum projects remains…

软件工程 · 计算机科学 2026-01-05 Mir Mohammad Yousuf , Shabir Ahmad Sofi

Quantum computing systems need to be benchmarked in terms of practical tasks they would be expected to do. Here, we propose 3 "application-motivated" circuit classes for benchmarking: deep (relevant for state preparation in the variational…

量子物理 · 物理学 2021-03-24 Daniel Mills , Seyon Sivarajah , Travis L. Scholten , Ross Duncan

The growing ubiquity of machine learning (ML) has led it to enter various areas of computer science, including black-box optimization (BBO). Recent research is particularly concerned with Bayesian optimization (BO). BO-based algorithms are…

机器学习 · 计算机科学 2024-01-04 Elena Raponi , Nathanael Rakotonirina Carraz , Jérémy Rapin , Carola Doerr , Olivier Teytaud

Optimizing an expensive, black-box function $f(\cdot)$ is challenging when its input space is high-dimensional. Sequential design frameworks first model $f(\cdot)$ with a surrogate function and then optimize an acquisition function to…

统计方法学 · 统计学 2019-01-23 Munir A. Winkel , Jonathan W. Stallings , Curt B. Storlie , Brian J. Reich

We present Benchpress, a benchmarking suite for evaluating the performance and range of functionality of multiple quantum computing software development kits. This suite consists of a collection of over $1000$ tests measuring key…