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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

There is a great need for improved statistical sampling in a range of physical, chemical and biological systems. Even simulations based on correct algorithms suffer from statistical error, which can be substantial or even dominant when slow…

Computational Physics · Physics 2007-11-09 F. Marty Ytreberg , Daniel M. Zuckerman

Black-box optimization is often encountered for decision-making in complex systems management, where the knowledge of system is limited. Under these circumstances, it is essential to balance the utilization of new information with…

Computation · Statistics 2025-01-15 Teng Lian , Jian-Qiang Hu , Yuhang Wu , Zeyu Zheng

The diverse world of machine learning applications has given rise to a plethora of algorithms and optimization methods, finely tuned to the specific regression or classification task at hand. We reduce the complexity of algorithm design for…

Optimization and Control · Mathematics 2016-05-23 Zeyuan Allen-Zhu , Elad Hazan

Optimizing instructions for large language models (LLMs) is critical for harnessing their full potential in complex and diverse tasks. However, relying solely on white-box approaches demands extensive computational resources and offers…

Computation and Language · Computer Science 2025-06-30 Yanwei Ren , Liu Liu , Baosheng Yu , Jiayan Qiu , Quan Chen

Undeniably, Large Language Models (LLMs) have stirred an extraordinary wave of innovation in the machine learning research domain, resulting in substantial impact across diverse fields such as reinforcement learning, robotics, and computer…

Machine Learning · Computer Science 2024-05-10 Xingyou Song , Yingtao Tian , Robert Tjarko Lange , Chansoo Lee , Yujin Tang , Yutian Chen

Optimizing discrete black-box functions is key in several domains, e.g. protein engineering and drug design. Due to the lack of gradient information and the need for sample efficiency, Bayesian optimization is an ideal candidate for these…

Black-box optimization is increasingly used in engineering design problems where simulation-based evaluations are costly and gradients are unavailable. In this context, the optimization community has largely analyzed algorithm performance…

Neural and Evolutionary Computing · Computer Science 2026-02-06 Iván Olarte Rodríguez , Gokhan Serhat , Mariusz Bujny , Fabian Duddeck , Thomas Bäck , Elena Raponi

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

In many statistical problems, the data distribution is specified through a generative process for which the likelihood function is analytically intractable, yet inference on the associated model parameters remains of primary interest. We…

Methodology · Statistics 2026-04-01 Haoyu Jiang , Yuexi Wang , Yun Yang

We present a probabilistic modeling framework and adaptive sampling algorithm wherein unsupervised generative models are combined with black box predictive models to tackle the problem of input design. In input design, one is given one or…

Machine Learning · Computer Science 2020-02-12 David H. Brookes , Jennifer Listgarten

We propose a black-box approach to reducing large semidefinite programs to a set of smaller semidefinite programs by projecting to random linear subspaces. We evaluate our method on a set of polynomial optimization problems, demonstrating…

Optimization and Control · Mathematics 2025-09-17 Etienne Buehrle , Christoph Stiller

Black-box global optimization aims at minimizing an objective function whose analytical form is not known. To do so, many state-of-the-art methods rely on sampling-based strategies, where sampling distributions are built in an iterative…

Optimization and Control · Mathematics 2024-09-30 Thomas Guilmeau , Emilie Chouzenoux , Víctor Elvira

Predictive modelling and supervised learning are central to modern data science. With predictions from an ever-expanding number of supervised black-box strategies - e.g., kernel methods, random forests, deep learning aka neural networks -…

Machine Learning · Statistics 2019-05-08 Frithjof Gressmann , Franz J. Király , Bilal Mateen , Harald Oberhauser

Various methods for robot design optimization have been developed so far. These methods are diverse, ranging from numerical optimization to black-box optimization. While numerical optimization is fast, it is not suitable for cases involving…

Robotics · Computer Science 2026-02-19 Kento Kawaharazuka , Yoshiki Obinata , Naoaki Kanazawa , Haoyu Jia , Kei Okada

The design of biological systems is hindered by uncertainty arising from both intrinsic stochasticity of biomolecular reactions and variability across laboratory or experimental conditions. In this work, we present a sequential framework to…

Machine Learning · Computer Science 2026-05-08 Michal Kobiela , Diego A. Oyarzún , Michael U. Gutmann

We study black-box reductions from mechanism design to algorithm design for welfare maximization in settings of incomplete information. Given oracle access to an algorithm for an underlying optimization problem, the goal is to simulate an…

Computer Science and Game Theory · Computer Science 2019-06-27 Evangelia Gergatsouli , Brendan Lucier , Christos Tzamos

Deep learning algorithms have recently shown to be a successful tool in estimating parameters of statistical models for which simulation is easy, but likelihood computation is challenging. But the success of these approaches depends on…

Machine Learning · Statistics 2024-02-20 Amanda Lenzi , Haavard Rue

We introduce a new family of techniques to post-process ("wrap") a black-box classifier in order to reduce its bias. Our technique builds on the recent analysis of improper loss functions whose optimization can correct any twist in…

Though black-box predictors are state-of-the-art for many complex tasks, they often fail to properly quantify predictive uncertainty and may provide inappropriate predictions for unfamiliar data. Instead, we can learn more reliable models…

Machine Learning · Statistics 2021-12-14 Jean Feng , Arjun Sondhi , Jessica Perry , Noah Simon
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