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Compound AI systems, comprising multiple interacting components such as LLMs, foundation models, and external tools, have demonstrated remarkable improvements compared to single models in various tasks. To ensure their effective deployment…

Machine Learning · Computer Science 2026-03-09 Xiangwen Wang , Yibo Jacky Zhang , Zhoujie Ding , Katherine Tsai , Haolun Wu , Sanmi Koyejo

The identification of patient subgroups with comparable event-risk dynamics plays a key role in supporting informed decision-making in clinical research. In such settings, it is important to account for the inherent dependence that arises…

Computation · Statistics 2026-01-13 Alessandra Ragni , Lara Cavinato , Francesca Ieva

Optimal-Transport Distributionally Robust Optimization (OT-DRO) robustifies data-driven decision-making under uncertainty by capturing the sampling-induced statistical error via optimal transport ambiguity sets. The standard OT-DRO pipeline…

Optimization and Control · Mathematics 2025-09-17 Jonas Ohnemus , Marta Fochesato , Riccardo Zuliani , John Lygeros

It is commonly believed that Bayesian optimization (BO) algorithms are highly efficient for optimizing numerically costly functions. However, BO is not often compared to widely different alternatives, and is mostly tested on narrow sets of…

Optimization and Control · Mathematics 2021-10-01 Rodolphe Le Riche , Victor Picheny

Bayesian optimal experimental design (BOED) selects experiments to maximize information gain about model parameters. However, in decision-critical settings, reducing parameter uncertainty does not necessarily improve downstream decisions,…

Machine Learning · Computer Science 2026-05-26 Jinwoo Go , Xiaoning Qian , Byung-Jun Yoon

Latent-space Bayesian optimization (LSBO) extends Bayesian optimization to structured domains, such as molecular design, by searching in the continuous latent space of a generative model. However, most LSBO methods assume a fixed objective,…

Machine Learning · Statistics 2026-03-03 Tuan A. Vu , Julien Martinelli , Harri Lähdesmäki

Combinatorial optimization problems involving multiple agents are notoriously challenging due to their NP-hard nature and the necessity for effective agent coordination. Despite advancements in learning-based methods, existing approaches…

Multiagent Systems · Computer Science 2025-10-23 Federico Berto , Chuanbo Hua , Laurin Luttmann , Jiwoo Son , Junyoung Park , Kyuree Ahn , Changhyun Kwon , Lin Xie , Jinkyoo Park

Pragmatic trials increasingly define outcomes using real-world data such as electronic health records, where assessments are collected during routine care rather than at fixed timepoints. Consequently, these uncontrolled assessments may be…

This paper defines a new approach for augmenting human intelligence with AI for optimal goal solving. Our proposed AI, Indigo, is an acronym for Informed Numerical Decision-making through Iterative Goal-Oriented optimization. When combined…

Artificial Intelligence · Computer Science 2023-07-24 Kais Dukes

Learning to optimize (L2O) has gained increasing attention since classical optimizers require laborious problem-specific design and hyperparameter tuning. However, there is a gap between the practical demand and the achievable performance…

Machine Learning · Computer Science 2020-10-20 Tianlong Chen , Weiyi Zhang , Jingyang Zhou , Shiyu Chang , Sijia Liu , Lisa Amini , Zhangyang Wang

Health monitoring systems have revolutionized modern healthcare by enabling the continuous capture of physiological and behavioral data, essential for preventive measures and early health intervention. While integrating this data with Large…

Machine Learning · Computer Science 2024-06-26 Ajan Subramanian , Zhongqi Yang , Iman Azimi , Amir M. Rahmani

Standard reinforcement learning (RL) aims to find an optimal policy that identifies the best action for each state. However, in healthcare settings, many actions may be near-equivalent with respect to the reward (e.g., survival). We…

Machine Learning · Computer Science 2020-07-27 Shengpu Tang , Aditya Modi , Michael W. Sjoding , Jenna Wiens

Generation of drug-like molecules with high binding affinity to target proteins remains a difficult and resource-intensive task in drug discovery. Existing approaches primarily employ reinforcement learning, Markov sampling, or deep…

Machine Learning · Computer Science 2022-06-22 Peter Eckmann , Kunyang Sun , Bo Zhao , Mudong Feng , Michael K. Gilson , Rose Yu

Machine learning in medical imaging during clinical routine is impaired by changes in scanner protocols, hardware, or policies resulting in a heterogeneous set of acquisition settings. When training a deep learning model on an initial…

Computer Vision and Pattern Recognition · Computer Science 2022-03-16 Matthias Perkonigg , Johannes Hofmanninger , Christian Herold , Helmut Prosch , Georg Langs

Dynamic treatment regimens (DTRs) are sequential decision rules tailored at each stage by potentially time-varying patient features and intermediate outcomes observed in previous stages. The complexity, patient heterogeneity and chronicity…

Methodology · Statistics 2016-11-09 Ying Liu , Yuanjia Wang , Michael R. Kosorok , Yingqi Zhao , Donglin Zeng

Matched-pair experimental designs aim to detect treatment effects by pairing participants and comparing within-pair outcome differences. In many situations, the overall effect size across the entire population is small. Then, the focus…

Machine Learning · Computer Science 2025-09-26 Weizhi Li , Gautam Dasarathy , Visar Berisha

Although federated learning has made awe-inspiring advances, most studies have assumed that the client's data are fully labeled. However, in a real-world scenario, every client may have a significant amount of unlabeled instances. Among the…

Computer Vision and Pattern Recognition · Computer Science 2023-03-23 SangMook Kim , Sangmin Bae , Hwanjun Song , Se-Young Yun

We propose Locally Optimal Restricted Designs (LORDs) for phase I/II dose-finding studies that focus on both efficacy and toxicity outcomes. As an illustrative application, we find various LORDs for a 4-parameter continuation-ratio (CR)…

Methodology · Statistics 2025-09-09 Oleksandr Sverdlov , Yevgen Ryeznik , Weng Kee Wong

Targeted maximum likelihood estimation is a general methodology combining flexible ensemble learning and semiparametric efficiency theory in a two-step procedure for estimation of causal parameters. Proposed targeted maximum likelihood…

Methodology · Statistics 2021-06-22 Helene Charlotte Wiese Rytgaard , Frank Eriksson , Mark van der Laan

Sequential experimental design to discover interventions that achieve a desired outcome is a key problem in various domains including science, engineering and public policy. When the space of possible interventions is large, making an…

Machine Learning · Computer Science 2023-08-17 Jiaqi Zhang , Louis Cammarata , Chandler Squires , Themistoklis P. Sapsis , Caroline Uhler
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