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The advent of Large Language Models (LLMs) has opened new frontiers in automated algorithm design, giving rise to numerous powerful methods. However, these approaches retain critical limitations: they require extensive evaluation of the…

Neural and Evolutionary Computing · Computer Science 2026-02-05 Haoran Yin , Shuaiqun Pan , Zhao Wei , Jian Cheng Wong , Yew-Soon Ong , Anna V. Kononova , Thomas Bäck , Niki van Stein

Molecular design involves an enormous and irregular search space, where traditional optimizers such as Bayesian optimization, genetic algorithms, and generative models struggle to leverage expert knowledge or handle complex feedback.…

Machine Learning · Computer Science 2025-12-09 Nian Ran , Yue Wang , Xiaoyuan Zhang , Zhongzheng Li , Qingsong Ran , Wenhao Li , Richard Allmendinger

Estimating statistical models within sensor networks requires distributed algorithms, in which both data and computation are distributed across the nodes of the network. We propose a general approach for distributed learning based on…

Machine Learning · Computer Science 2012-07-03 Qiang Liu , Alexander Ihler

Experimental design is an approach for selecting samples among a given set so as to obtain the best estimator for a given criterion. In the context of linear regression, several optimal designs have been derived, each associated with a…

Statistics Theory · Mathematics 2021-01-01 Geovani Rizk , Igor Colin , Albert Thomas , Moez Draief

In order to find hyperparameters for a machine learning model, algorithms such as grid search or random search are used over the space of possible values of the models hyperparameters. These search algorithms opt the solution that minimizes…

Machine Learning · Statistics 2018-03-30 Amir Hossein Akhavan Rahnama , Mehdi Toloo , Nezer Jacob Zaidenberg

We typically construct optimal designs based on a single objective function. To better capture the breadth of an experiment's goals, we could instead construct a multiple objective optimal design based on multiple objective functions. While…

Methodology · Statistics 2023-03-09 Lucy L. Gao , Jane J. Ye , Shangzhi Zeng , Julie Zhou

Simulation-based optimal design techniques are a convenient tool for solving a particular class of optimal design problems. The goal is to find the optimal configuration of factor settings with respect to an expected utility criterion. This…

Methodology · Statistics 2013-05-21 Markus Hainy , Werner G. Müller , Helga Wagner

Bayesian optimal design is considered for experiments where the response distribution depends on the solution to a system of non-linear ordinary differential equations. The motivation is an experiment to estimate parameters in the equations…

Methodology · Statistics 2019-05-02 Antony Overstall , David Woods , Ben Parker

The gamma model is a generalized linear model for gamma-distributed outcomes. The model is widely applied in psychology, ecology or medicine. In this paper we focus on gamma models having a linear predictor without intercept. For a specific…

Statistics Theory · Mathematics 2019-04-22 Osama Idais , Rainer Schwabe

High-dimensional PDEs have been a longstanding computational challenge. We propose to solve high-dimensional PDEs by approximating the solution with a deep neural network which is trained to satisfy the differential operator, initial…

Mathematical Finance · Quantitative Finance 2018-10-17 Justin Sirignano , Konstantinos Spiliopoulos

Unmeasured or latent variables are often the cause of correlations between multivariate measurements, which are studied in a variety of fields such as psychology, ecology, and medicine. For Gaussian measurements, there are classical tools…

Machine Learning · Computer Science 2022-01-28 Łukasz Kidziński , Francis K. C. Hui , David I. Warton , Trevor Hastie

Optimal designs are required to make efficient statistical experiments. D-optimal designs for some models are calculated by using canonical moments. On the other hand, integrable systems are dynamical systems whose solutions can be written…

Methodology · Statistics 2012-11-06 Hiroto Sekido

We consider the problem of online combinatorial optimization under semi-bandit feedback. The goal of the learner is to sequentially select its actions from a combinatorial decision set so as to minimize its cumulative loss. We propose a…

Machine Learning · Computer Science 2013-05-14 Gergely Neu , Gábor Bartók

A natural optimization model that formulates many online resource allocation and revenue management problems is the online linear program (LP) in which the constraint matrix is revealed column by column along with the corresponding…

Data Structures and Algorithms · Computer Science 2014-04-10 Shipra Agrawal , Zizhuo Wang , Yinyu Ye

In recent years methods from optimal linear experimental design have been leveraged to obtain state of the art results for linear bandits. A design returned from an objective such as $G$-optimal design is actually a probability distribution…

Machine Learning · Computer Science 2021-05-13 Romain Camilleri , Julian Katz-Samuels , Kevin Jamieson

We propose an efficient algorithm for approximate computation of the profile maximum likelihood (PML), a variant of maximum likelihood maximizing the probability of observing a sufficient statistic rather than the empirical sample. The PML…

Machine Learning · Computer Science 2017-12-21 Dmitri S. Pavlichin , Jiantao Jiao , Tsachy Weissman

Optimal experimental design is a well studied field in applied science and engineering. Techniques for estimating such a design are commonly used within the framework of parameter estimation. Nonetheless, in recent years parameter…

Machine Learning · Statistics 2025-01-13 Md Shahriar Rahim Siddiqui , Arman Rahmim , Eldad Haber

Large Language Models (LLMs) have recently emerged as effective surrogate models and candidate generators within global optimization frameworks for expensive blackbox functions. Despite promising results, LLM-based methods often struggle in…

Machine Learning · Computer Science 2026-01-28 Andrej Schwanke , Lyubomir Ivanov , David Salinas , Fabio Ferreira , Aaron Klein , Frank Hutter , Arber Zela

In several interesting applications one is faced with the problem of simultaneous binary hypothesis testing and parameter estimation. Although such joint problems are not infrequent, there exist no systematic analysis in the literature that…

Statistics Theory · Mathematics 2009-11-25 George V. Moustakides

We present a method to formulate algorithm discovery as program search, and apply it to discover optimization algorithms for deep neural network training. We leverage efficient search techniques to explore an infinite and sparse program…

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