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Bayesian optimization has become widely popular across various experimental sciences due to its favorable attributes: it can handle noisy data, perform well with relatively small datasets, and provide adaptive suggestions for sequential…

Other Quantitative Biology · Quantitative Biology 2025-08-15 Maximilian Siska , Emma Pajak , Katrin Rosenthal , Antonio del Rio Chanona , Eric von Lieres , Laura Marie Helleckes

Optimization strategies driven by machine learning, such as Bayesian optimization, are being explored across experimental sciences as an efficient alternative to traditional design of experiment. When combined with automated laboratory…

Optimization and Control · Mathematics 2022-10-18 Riley J. Hickman , Matteo Aldeghi , Florian Häse , Alán Aspuru-Guzik

We present Bencher, a modular benchmarking framework for black-box optimization that fundamentally decouples benchmark execution from optimization logic. Unlike prior suites that focus on combining many benchmarks in a single project,…

Machine Learning · Computer Science 2025-05-28 Leonard Papenmeier , Luigi Nardi

As models become increasingly sophisticated, conventional algorithm benchmarks are increasingly saturated, underscoring the need for more challenging benchmarks to guide future improvements in algorithmic reasoning. This paper introduces…

Artificial Intelligence · Computer Science 2025-06-13 Yaoming Zhu , Junxin Wang , Yiyang Li , Lin Qiu , ZongYu Wang , Jun Xu , Xuezhi Cao , Yuhuai Wei , Mingshi Wang , Xunliang Cai , Rong Ma

Terahertz communication networks and intelligent reflecting surfaces exhibit significant potential in advancing wireless networks, particularly within the domain of aerial-based multi-access edge computing systems. These technologies enable…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-20 Jianqiu Wu , Zhongyi Yu , Jianxiong Guo , Zhiqing Tang , Tian Wang , Weijia Jia

Recent advances in probabilistic modelling have led to a large number of simulation-based inference algorithms which do not require numerical evaluation of likelihoods. However, a public benchmark with appropriate performance metrics for…

Machine Learning · Statistics 2021-04-12 Jan-Matthis Lueckmann , Jan Boelts , David S. Greenberg , Pedro J. Gonçalves , Jakob H. Macke

We propose the QHyper library, which is aimed at researchers working on computational experiments with a variety of quantum combinatorial optimization solvers. The library offers a simple and extensible interface for formulating…

Mathematical Software · Computer Science 2024-09-25 Tomasz Lamża , Justyna Zawalska , Kacper Jurek , Mariusz Sterzel , Katarzyna Rycerz

The design space of networked embedded systems is very large, posing challenges to the optimisation of such platforms when it comes to support applications with real-time guarantees. Recent research has shown that a number of inter-related…

Performance · Computer Science 2020-07-21 Leandro Soares Indrusiak , Robert I. Davis , Piotr Dziurzanski

The examination of performance changes or the performance behavior of a software requires the measurement of the performance. This is done via probes, i.e., pieces of code which obtain and process measurement data, and which are inserted…

Software Engineering · Computer Science 2023-04-13 David Georg Reichelt , Stefan Kühne , Wilhelm Hasselbring

The capability of the quantum approximate optimization algorithm (QAOA) in solving the combinatorial optimization problems has been intensively studied in recent years due to its application in the quantum-classical hybrid regime. Despite…

Quantum Physics · Physics 2025-04-15 Xinwei Lee , Xinjian Yan , Ningyi Xie , Yoshiyuki Saito , Dongsheng Cai , Nobuyoshi Asai

Empirical analysis serves as an important complement to theoretical analysis for studying practical Bayesian optimization. Often empirical insights expose strengths and weaknesses inaccessible to theoretical analysis. We define two metrics…

Machine Learning · Computer Science 2016-04-01 Ian Dewancker , Michael McCourt , Scott Clark , Patrick Hayes , Alexandra Johnson , George Ke

Energy economy optimization (EEO) models employ formal search techniques to explore the future decision space over several decades in order to deliver policy-relevant insights. EEO models are a critical tool for decision-makers who must…

Physics and Society · Physics 2020-01-30 Joseph F. DeCarolis , Kevin Hunter , Sarat Sreepathi

As the complexity of the HPC storage stack rapidly grows, domain scientists face increasing challenges in effectively utilizing HPC storage systems to achieve their desired I/O performance. To identify and address I/O issues, scientists…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-02 Chris Egersdoerfer , Arnav Sareen , Jean Luca Bez , Suren Byna , Dongkuan Xu , Dong Dai

Internet of Things (IoT) systems continuously collect a large amount of data from heterogeneous "smart objects" through standardised service interfaces. A key challenge is how to use these data and relevant event logs to construct…

Software Engineering · Computer Science 2018-12-17 Ahmed Abdullah , Heinz W. Schmidt , Maria Spichkova , Huai Liu

We study how modern database systems can leverage the Linux io_uring interface for efficient, low-overhead I/O. io_uring is an asynchronous system call batching interface that unifies storage and network operations, addressing limitations…

Databases · Computer Science 2025-12-15 Matthias Jasny , Muhammad El-Hindi , Tobias Ziegler , Viktor Leis , Carsten Binnig

Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework that leverages Bayesian optimization over a problem…

Systems and Control · Electrical Eng. & Systems 2025-02-11 Danial Khatamsaz , Joseph Wagner , Brent Vela , Raymundo Arroyave , Douglas L. Allaire

We consider Bayesian optimization of expensive-to-evaluate experiments that generate vector-valued outcomes over which a decision-maker (DM) has preferences. These preferences are encoded by a utility function that is not known in closed…

Machine Learning · Computer Science 2022-03-23 Zhiyuan Jerry Lin , Raul Astudillo , Peter I. Frazier , Eytan Bakshy

Many real-world optimization problems consist of multiple tightly coupled subproblems whose solutions must be coordinated to achieve high overall performance. However, existing large language model driven automated heuristic design…

Neural and Evolutionary Computing · Computer Science 2026-05-08 Thomas Bömer , Bastian Amberg , Max Disselnmeyer , Anne Meyer

Numerous challenges in science and engineering can be framed as optimization tasks, including the maximization of reaction yields, the optimization of molecular and materials properties, and the fine-tuning of automated hardware protocols.…

Optimization and Control · Mathematics 2021-11-19 Matteo Aldeghi , Florian Häse , Riley J. Hickman , Isaac Tamblyn , Alán Aspuru-Guzik

Heuristics are commonly used to tackle various search and optimization problems. Design heuristics usually require tedious manual crafting with domain knowledge. Recent works have incorporated Large Language Models (LLMs) into automatic…

Artificial Intelligence · Computer Science 2025-02-05 Shunyu Yao , Fei Liu , Xi Lin , Zhichao Lu , Zhenkun Wang , Qingfu Zhang
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