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Large language models (LLMs) have recently been proposed as general-purpose agents for experimental design, with claims that they can perform in-context experimental design. We evaluate this hypothesis using both open- and closed-source…

Machine Learning · Computer Science 2025-09-29 Rushil Gupta , Jason Hartford , Bang Liu

Identifying optimal designs for generalized linear models with a binary response can be a challenging task, especially when there are both continuous and discrete independent factors in the model. Theoretical results rarely exist for such…

Applications · Statistics 2016-02-09 Joshua Lukemire , Abhyuday Mandal , Weng Kee Wong

We present a unified deterministic approach for experimental design problems using the method of interlacing polynomials. Our framework recovers the best-known approximation guarantees for the well-studied D/A/E-design problems with simple…

Data Structures and Algorithms · Computer Science 2024-10-16 Lap Chi Lau , Robert Wang , Hong Zhou

Prevailing Multimodal Large Language Models (MLLMs) encode the input image(s) as vision tokens and feed them into the language backbone, similar to how Large Language Models (LLMs) process the text tokens. However, the number of vision…

Computer Vision and Pattern Recognition · Computer Science 2024-12-10 Shiyu Zhao , Zhenting Wang , Felix Juefei-Xu , Xide Xia , Miao Liu , Xiaofang Wang , Mingfu Liang , Ning Zhang , Dimitris N. Metaxas , Licheng Yu

The performance gains obtained by large language models (LLMs) are closely linked to their substantial computational and memory requirements. Quantized LLMs offer significant advantages with extremely quantized models, motivating the…

Hardware Architecture · Computer Science 2026-04-07 Ahmed J. Abdelmaksoud , Cristian Sestito , Shiwei Wang , Themis Prodromakis

We introduce an algorithm based on Generalized Dual Method (GDM) to efficiently study the dynamics of a particle in quasiperiodic environments without the need to use periodic approximations or to save the information of the vertices that…

Chaotic Dynamics · Physics 2022-04-28 Alan Rodrigo Mendoza Sosa , Atahualpa S. Kraemer

We consider the problem of efficiently computing the maximum likelihood estimator in Generalized Linear Models (GLMs) when the number of observations is much larger than the number of coefficients ($n \gg p \gg 1$). In this regime,…

Machine Learning · Statistics 2015-12-01 Murat A. Erdogdu

Achieving faster execution with shorter compilation time can foster further diversity and innovation in neural networks. However, the current paradigm of executing neural networks either relies on hand-optimized libraries, traditional…

Machine Learning · Computer Science 2020-01-27 Byung Hoon Ahn , Prannoy Pilligundla , Amir Yazdanbakhsh , Hadi Esmaeilzadeh

We consider a general $p$-norm objective for experimental design problems that captures some well-studied objectives (D/A/E-design) as special cases. We prove that a randomized local search approach provides a unified algorithm to solve…

Data Structures and Algorithms · Computer Science 2023-05-04 Lap Chi Lau , Robert Wang , Hong Zhou

Multidimensional optimization has consistently been a critical challenge in engineering. However, traditional simulation-based optimization methods have long been plagued by significant limitations: they are typically capable of optimizing…

Machine Learning · Computer Science 2025-11-12 Meraj Hassanzadeh , Ehsan Ghaderi , Mohamad Ali Bijarchi , Siamak Kazemzadeh Hannani

Algorithms for machine learning-guided design, or design algorithms, use machine learning-based predictions to propose novel objects with desired property values. Given a new design task -- for example, to design novel proteins with high…

Machine Learning · Computer Science 2025-07-04 Clara Fannjiang , Ji Won Park

With the more and more growing demand for semantic Web services over large databases, an efficient evaluation of Datalog queries is arousing a renewed interest among researchers and industry experts. In this scenario, to reduce memory…

Artificial Intelligence · Computer Science 2020-02-19 Alessio Fiorentino , Nicola Leone , Marco Manna , Simona Perri , Jessica Zangari

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

Selecting the optimal recommender via online exploration-exploitation is catching increasing attention where the traditional A/B testing can be slow and costly, and offline evaluations are prone to the bias of history data. Finding the…

Information Retrieval · Computer Science 2022-03-29 Da Xu , Chuanwei Ruan , Evren Korpeoglu , Sushant Kumar , Kannan Achan

We show how combinatorial optimisation algorithms can be applied to the problem of identifying c-optimal experimental designs when there may be correlation between and within experimental units and evaluate the performance of relevant…

Computation · Statistics 2023-02-24 Samuel I Watson , Yi Pan

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

Computing the exact optimal experimental design has been a longstanding challenge in various scientific fields. This problem, when formulated using a specific information function, becomes a mixed-integer nonlinear programming (MINLP)…

Methodology · Statistics 2024-09-30 Ling Liang , Haizhao Yang

Acquiring information on spatial phenomena can be costly and time-consuming. In this context, to obtain reliable global knowledge, the choice of measurement location is a crucial issue. Space-lling designs are often used to control…

Applications · Statistics 2024-02-15 Sylvain Coly , Pierre Druilhet , Nourddine Azzaoui

Despite the success of automated machine learning (AutoML), which aims to find the best design, including the architecture of deep networks and hyper-parameters, conventional AutoML methods are computationally expensive and hardly provide…

Machine Learning · Computer Science 2023-05-25 Shirley Wu , Jiaxuan You , Jure Leskovec , Rex Ying

We consider maximin and Bayesian $D$-optimal designs for nonlinear regression models. The maximin criterion requires the specification of a region for the nonlinear parameters in the model, while the Bayesian optimality criterion assumes…

Statistics Theory · Mathematics 2009-09-29 Dietrich Braess , Holger Dette