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Adaptive treatment assignment algorithms, such as bandit algorithms, are increasingly used in digital health intervention clinical trials. Frequently, the data collected from these trials is used to conduct causal inference and related data…

Methodology · Statistics 2025-10-30 Kelly W. Zhang , Nowell Closser , Anna L. Trella , Susan A. Murphy

In drug discovery, identifying drug-target interactions (DTIs) via experimental approaches is a tedious and expensive procedure. Computational methods efficiently predict DTIs and recommend a small part of potential interacting pairs for…

Quantitative Methods · Quantitative Biology 2022-01-19 Bin Liu , Grigorios Tsoumakas

Contextual dueling bandit is used to model the bandit problems, where a learner's goal is to find the best arm for a given context using observed noisy human preference feedback over the selected arms for the past contexts. However,…

Machine Learning · Computer Science 2025-04-17 Arun Verma , Zhongxiang Dai , Xiaoqiang Lin , Patrick Jaillet , Bryan Kian Hsiang Low

Molecule optimization is a fundamental task for accelerating drug discovery, with the goal of generating new valid molecules that maximize multiple drug properties while maintaining similarity to the input molecule. Existing generative…

Machine Learning · Computer Science 2024-07-02 Tianfan Fu , Cao Xiao , Xinhao Li , Lucas M. Glass , Jimeng Sun

We describe and study a model for an Automated Online Recommendation System (AORS) in which a user's preferences can be time-dependent and can also depend on the history of past recommendations and play-outs. The three key features of the…

Machine Learning · Computer Science 2016-03-31 Rahul Meshram , Aditya Gopalan , D. Manjunath

This paper introduces the OPIAID algorithm, a novel approach for predicting and recommending personalized opioid dosages for individual patients. The algorithm optimizes pain management while minimizing opioid related adverse events (ORADE)…

Online experimentation with interference is a common challenge in modern applications such as e-commerce and adaptive clinical trials in medicine. For example, in online marketplaces, the revenue of a good depends on discounts applied to…

Machine Learning · Computer Science 2024-05-30 Abhineet Agarwal , Anish Agarwal , Lorenzo Masoero , Justin Whitehouse

Precision medicine leverages patient heterogeneity to estimate individualized treatment regimens, formalized, data-driven approaches designed to match patients with optimal treatments. In the presence of competing events, where multiple…

Sequential decision-making algorithms such as multi-armed bandits can find optimal personalized decisions, but are notoriously sample-hungry. In personalized medicine, for example, training a bandit from scratch for every patient is…

Machine Learning · Computer Science 2026-05-12 Ahmet Zahid Balcıoğlu , Newton Mwai , Emil Carlsson , Fredrik D. Johansson

We introduce profile matching, a multivariate matching method for randomized experiments and observational studies that finds the largest possible unweighted samples across multiple treatment groups that are balanced relative to a covariate…

Methodology · Statistics 2022-07-07 Eric R. Cohn , Jose R. Zubizarreta

Psychological research shows that enjoyment of many goods is subject to satiation, with short-term satisfaction declining after repeated exposures to the same item. Nevertheless, proposed algorithms for powering recommender systems seldom…

Machine Learning · Computer Science 2021-10-28 Liu Leqi , Fatma Kilinc-Karzan , Zachary C. Lipton , Alan L. Montgomery

This paper explores combinatorial optimization for problems of max-weight graph matching on multi-partite graphs, which arise in integrating multiple data sources. Entity resolution-the data integration problem of performing noisy joins on…

Databases · Computer Science 2014-02-04 Duo Zhang , Benjamin I. P. Rubinstein , Jim Gemmell

Recent advances in large language models have demonstrated considerable potential in scientific domains such as drug repositioning. However, their effectiveness remains constrained when reasoning extends beyond the knowledge acquired during…

Artificial Intelligence · Computer Science 2025-08-01 Zerui Yang , Yuwei Wan , Siyu Yan , Yudai Matsuda , Tong Xie , Bram Hoex , Linqi Song

In many nations, diabetes is becoming a significant health problem, and early identification and control are crucial. Using machine learning algorithms to predict diabetes has yielded encouraging results. Using the Pima Indians Diabetes…

Machine Learning · Computer Science 2025-06-13 Mowafaq Salem Alzboon , Mohammad Al-Batah , Muhyeeddin Alqaraleh , Ahmad Abuashour , Ahmad Fuad Bader

The desire to train complex machine learning algorithms and to increase the statistical power in association studies drives neuroimaging research to use ever-larger datasets. The most obvious way to increase sample size is by pooling scans…

Computer Vision and Pattern Recognition · Computer Science 2020-10-29 Christian Wachinger , Anna Rieckmann , Sebastian Pölsterl

We consider the query recommendation problem in closed loop interactive learning settings like online information gathering and exploratory analytics. The problem can be naturally modelled using the Multi-Armed Bandits (MAB) framework with…

We address multi-armed bandits (MAB) where the objective is to maximize the cumulative reward under a probabilistic linear constraint. For a few real-world instances of this problem, constrained extensions of the well-known Thompson…

Machine Learning · Computer Science 2020-05-14 Vidit Saxena , Joseph E. Gonzalez , Joakim Jaldén

Cell heterogeneity plays an important role in patient responses to drug treatments. In many cancers, it is associated with poor treatment outcomes. Many modern drug combination therapies aim to exploit cell heterogeneity, but determining…

Quantitative Methods · Quantitative Biology 2025-02-18 Simon F. Martina-Perez , Samuel W. S. Johnson , Rebecca M. Crossley , Jennifer C. Kasemeier , Paul M. Kulesa , Ruth E. Baker

We study the best-arm identification problem in multi-armed bandits with stochastic, potentially private rewards, when the goal is to identify the arm with the highest quantile at a fixed, prescribed level. First, we propose a (non-private)…

Machine Learning · Statistics 2022-12-06 Kontantinos E. Nikolakakis , Dionysios S. Kalogerias , Or Sheffet , Anand D. Sarwate

Opioid Use Disorder (OUD) has reached an epidemic level in the US. Diversion of unused prescription opioids to secondary users and black market significantly contributes to the abuse and misuse of these highly addictive drugs, leading to…

Optimization and Control · Mathematics 2022-10-17 Md Mahmudul Hasan , Tasnim Ibn Faiz , Alicia Sasser Modestino , Gary J. Young , Md. Noor-E-Alam