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While modern biotechnologies allow synthesizing new proteins and function measurements at scale, efficiently exploring a protein sequence space and engineering it remains a daunting task due to the vast sequence space of any given protein.…

Biomolecules · Quantitative Biology 2024-01-15 Jiahao Qiu , Hui Yuan , Jinghong Zhang , Wentao Chen , Huazheng Wang , Mengdi Wang

In Bayesian inverse problems, one aims at characterizing the posterior distribution of a set of unknowns, given indirect measurements. For non-linear/non-Gaussian problems, analytic solutions are seldom available: Sequential Monte Carlo…

Methodology · Statistics 2022-12-26 Alessandro Viani , Adam M Johansen , Alberto Sorrentino

With the advance of experimental techniques such as time-lapse fluorescence microscopy, the availability of single-cell trajectory data has vastly increased, and so has the demand for computational methods suitable for parameter inference…

Quantitative Methods · Quantitative Biology 2016-07-06 Irena Kuzmanovska , Andreas Milias-Argeitis , Christoph Zechner , Mustafa Khammash

We consider the problem of selecting the best variable-value strategy for solving a given problem in constraint programming. We show that the recent Embarrassingly Parallel Search method (EPS) can be used for this purpose. EPS proposes to…

Artificial Intelligence · Computer Science 2016-04-25 Anthony Palmieri , Jean-Charles Régin , Pierre Schaus

We consider the minimax setup for Gaussian one-armed bandit problem, i.e. the two-armed bandit problem with Gaussian distributions of incomes and known distribution corresponding to the first arm. This setup naturally arises when the…

Statistics Theory · Mathematics 2019-01-28 Alexander Kolnogorov

We investigate the sample complexity of learning the optimal arm for multi-task bandit problems. Arms consist of two components: one that is shared across tasks (that we call representation) and one that is task-specific (that we call…

Machine Learning · Statistics 2022-11-29 Alessio Russo , Alexandre Proutiere

The computational problem of inferring the full haplotype of a cell starting from read sequencing data is known as haplotype assembly, and consists in assigning all heterozygous Single Nucleotide Polymorphisms (SNPs) to exactly one of the…

Sequential decision-making is central to sustainable agricultural management and precision agriculture, where resource inputs must be optimized under uncertainty and over time. However, such decisions must often be made with limited…

Machine Learning · Statistics 2026-02-24 Sakshi Arya , Wentao Lin

In this paper, we study the problem of optimal data collection for policy evaluation in linear bandits. In policy evaluation, we are given a target policy and asked to estimate the expected reward it will obtain when executed in a…

Machine Learning · Statistics 2024-03-04 Subhojyoti Mukherjee , Qiaomin Xie , Josiah Hanna , Robert Nowak

We investigate the problem of batched best arm identification in multi-armed bandits, where we aim to identify the best arm from a set of $n$ arms while minimizing both the number of samples and batches. We introduce an algorithm that…

Machine Learning · Computer Science 2025-01-30 Tianyuan Jin , Qin Zhang , Dongruo Zhou

This work investigates the problem of best arm identification for multi-agent multi-armed bandits. We consider $N$ agents grouped into $M$ clusters, where each cluster solves a stochastic bandit problem. The mapping between agents and…

Machine Learning · Computer Science 2025-05-16 Yash , Nikhil Karamchandani , Avishek Ghosh

Sampling from the equilibrium distribution has always been a major problem in molecular simulations due to the very high dimensionality of conformational space. Over several decades, many approaches have been used to overcome the problem.…

Computational Physics · Physics 2020-03-02 Adrià Pérez , Pablo Herrera-Nieto , Stefan Doerr , Gianni De Fabritiis

Approximate Bayesian Computation (ABC) is a widely applicable and popular approach to estimating unknown parameters of mechanistic models. As ABC analyses are computationally expensive, parallelization on high-performance infrastructure is…

Quantitative Methods · Quantitative Biology 2023-05-02 Emad Alamoudi , Felipe Reck , Nils Bundgaard , Frederik Graw , Lutz Brusch , Jan Hasenauer , Yannik Schälte

Targeted therapies on the basis of genomic aberrations analysis of the tumor have shown promising results in cancer prognosis and treatment. Regardless of tumor type, trials that match patients to targeted therapies for their particular…

Applications · Statistics 2018-04-18 Yanxun Xu , Peter Mueller , Apostolia M Tsimberidou , Donald Berry

We study the problem of Bayesian fixed-budget best-arm identification (BAI) in structured bandits. We propose an algorithm that uses fixed allocations based on the prior information and the structure of the environment. We provide…

Machine Learning · Statistics 2025-04-28 Nicolas Nguyen , Imad Aouali , András György , Claire Vernade

Active search is the process of identifying high-value data points in a large and often high-dimensional parameter space that can be expensive to evaluate. Traditional active search techniques like Bayesian optimization trade off…

Machine Learning · Computer Science 2020-07-21 Vivek Myers , Peyton Greenside

We study sequential decision-making in batched nonparametric contextual bandits, where actions are selected over a finite horizon divided into a small number of batches. Motivated by constraints in domains such as medicine and marketing --…

Machine Learning · Statistics 2025-08-04 Sakshi Arya

Multi-arm bandits are gaining popularity as they enable real-world sequential decision-making across application areas, including clinical trials, recommender systems, and online decision-making. Consequently, there is an increased desire…

Methodology · Statistics 2023-03-01 Dae Woong Ham , Iavor Bojinov , Michael Lindon , Martin Tingley

Single-cell RNA-seq data are challenging because of the sparseness of the read counts, the tiny expression of many relevant genes, and the variability in the efficiency of RNA extraction for different cells. We consider a simple…

Methodology · Statistics 2020-02-10 Silvia Giulia Galfre' , Francesco Morandin

Extending Bayesian optimization to batch evaluation can enable the designer to make the most use of parallel computing technology. However, most of current batch approaches do not scale well with the batch size. That is, their performances…

Machine Learning · Computer Science 2025-04-25 Dawei Zhan , Zhaoxi Zeng , Shuoxiao Wei , Ping Wu