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Advancements in materials play a crucial role in technological progress. However, the process of discovering and developing materials with desired properties is often impeded by substantial experimental costs, extensive resource…

Machine Learning · Computer Science 2023-11-17 Ahmed Shoyeb Raihan , Hamed Khosravi , Srinjoy Das , Imtiaz Ahmed

We present a novel stochastic approach to binary optimization for optimal experimental design (OED) for Bayesian inverse problems governed by mathematical models such as partial differential equations. The OED utility function, namely, the…

Optimization and Control · Mathematics 2022-06-28 Ahmed Attia , Sven Leyffer , Todd Munson

Radioembolization is a localized liver cancer treatment that delivers radioactive microspheres (30 micron) to tumors via a catheter inserted in the hepatic arterial tree. The goal is to maximize therapeutic efficacy while minimizing damage…

Image and Video Processing · Electrical Eng. & Systems 2025-09-04 Nisanth Kumar Panneerselvam , Guneet Mummaneni , Emilie Roncali

Deep learning has proven to be a highly effective tool for a wide range of applications, significantly when leveraging the power of multi-loss functions to optimize performance on multiple criteria simultaneously. However, optimal selection…

Computer Vision and Pattern Recognition · Computer Science 2025-07-29 Amin Golnari , Mostafa Diba

We consider basket trials in which a biomarker-targeting drug may be efficacious for patients across different disease indications. Patients are enrolled if their cells exhibit some levels of biomarker expression. The threshold level is…

Applications · Statistics 2025-05-20 Shijie Yuan , Jiaxin Liu , Zhihua Gong , Xia Qin , Crystal Qin , Yuan Ji , Peter Müller

Recent advancements in generative machine learning have enabled rapid progress in biological design tools (BDTs) such as protein structure and sequence prediction models. The unprecedented predictive accuracy and novel design capabilities…

Computers and Society · Computer Science 2023-12-01 Richard Moulange , Max Langenkamp , Tessa Alexanian , Samuel Curtis , Morgan Livingston

In this article, we propose a phase I-II design in two stages for the combination of molecularly targeted therapies. The design is motivated by a published case study that combines a MEK and a PIK3CA inhibitors; a setting in which higher…

Methodology · Statistics 2025-05-21 José L. Jiménez , Mourad Tighiouart

Beta-turn prediction is useful in protein function studies and experimental design. Although recent approaches using machine-learning techniques such as SVM, neural networks, and K-NN have achieved good results for beta-turn pre-diction,…

Biomolecules · Quantitative Biology 2018-08-14 Chao Fang , Yi Shang , Dong Xu

We propose a fast beam orientation selection method, based on deep neural networks (DNN), capable of developing a plan comparable to those by the state-of-the-art column generation method. The novelty of Our model lies in its supervised…

Medical Physics · Physics 2019-12-23 Azar Sadeghnejad Barkousaraie , Olalekan Ogunmolu , Steve Jiang , Dan Nguyen

An individualized dose rule recommends a dose level within a continuous safe dose range based on patient level information such as physical conditions, genetic factors and medication histories. Traditionally, personalized dose finding…

Methodology · Statistics 2020-07-21 Liangyu Zhu , Wenbin Lu , Michael R. Kosorok , Rui Song

This paper considers the problem of Bayesian optimization for systems with safety-critical constraints, where both the objective function and the constraints are unknown, but can be observed by querying the system. In safety-critical…

Optimization and Control · Mathematics 2022-05-06 Dinesh Krishnamoorthy , Francis J. Doyle

Treatment planning uncertainties are typically managed using margin-based or robust optimization. Margin-based methods expand the clinical target volume (CTV) to a planning target volume, generally unsuited for proton therapy. Robust…

Bayesian experimental design (BED) is a principled framework for data-efficient design of sequential experiments. However, existing BED methods are unable to adapt to dynamic constraints inherent in real-world tasks due to budget…

Machine Learning · Statistics 2026-05-27 Yujia Guo , Daolang Huang , Xinyu Zhang , Sammie Katt , Samuel Kaski , Ayush Bharti

Non-coplanar Intensity-Modulated Radiation Therapy (IMRT) goes a step further by orienting the gantry carrying the radiation beam and the patient couch in a non-coplanar manner to accurately target the cancer region and better avoid…

Medical Physics · Physics 2023-05-16 Fang Guo , Franklin Okoli , Ulrike Schick , Dimitris Visvikis , Antoine Valeri , Julien Bert

Oncology drug development starts with a dose escalation phase to find the maximal tolerable dose (MTD). Dose limiting toxicity (DLT) is the primary endpoint for dose escalation phase. Traditionally, model-based dose escalation trial designs…

Applications · Statistics 2024-04-18 Arnab Kumar Maity , Satrajit Roy Chowdhury , Ray Li , Lada Markovtsova , Roberto Bugarini

Radiation therapy treatment planning can be viewed as an iterative hyperparameter tuning process to balance conflicting clinical goals. In this work, we investigated the performance of modern Bayesian Optimization (BO) methods on automated…

Medical Physics · Physics 2023-02-15 Qingying Wang , Ruoxi Wang , Jiacheng Liu , Fan Jiang , Haizhen Yue , Yi Du , Hao Wu

Successful pharmaceutical drug development requires finding correct doses that provide an optimum balance between efficacy and toxicity. Competing responses to dose such as efficacy and toxicity often will increase with dose, and it is…

Applications · Statistics 2024-01-26 A. Lawrence Gould

Learning personalized cancer treatment with machine learning holds great promise to improve cancer patients' chance of survival. Despite recent advances in machine learning and precision oncology, this approach remains challenging as…

Machine Learning · Computer Science 2022-07-12 Mingyu Lu , Yifang Chen , Su-In Lee

Recently, the U.S. Food and Drug Administration (FDA) released draft guidance \citep{FDA2026} signaling a paradigm shift that facilitates the use of Bayesian methodology as the primary analysis and decision framework for drug approval. The…

Methodology · Statistics 2026-03-23 Peng Yang , Li Wang , Ying Yuan

We propose a flexible design for the identification of optimal dose combinations in dual-agent dose-finding clinical trials. The design is called AAA, standing for three adaptations: adaptive model selection, adaptive dose insertion, and…

Methodology · Statistics 2017-06-13 Jiaying Lyu , Yuan Ji , Naiqing Zhao , Daniel V. T. Catenacci