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We present a comprehensive study of the commute time kernel method via the effective resistance framework analyzing the quantum complexity of the originally classical approach. Our study reveals that while there is a trade-off between…

Quantum Physics · Physics 2026-01-06 Adam Wesołowski , Karim Essafi

Bayesian adaptive designs enable flexible clinical trials by adapting features based on accumulating data. Among these, Bayesian Response-Adaptive Randomization (BRAR) skews patient allocation towards more promising treatments based on…

Methodology · Statistics 2025-12-05 Daniel Kaddaj , Stef Baas , Edwin Y. N. Tang , David S. Robertson , Lukas Pin , Sofía S. Villar

Drug discovery is fundamentally a process of inferring the effects of treatments on patients, and would therefore benefit immensely from computational models that can reliably simulate patient responses, enabling researchers to generate and…

We develop a factor analysis for mixed continuous and binary observed variables. To this end, we utilized a recently developed multivariate probability distribution for mixed-type random variables, the Gaussian-Grassmann distribution. In…

Methodology · Statistics 2025-12-12 Takashi Arai

An important task in early phase drug development is to identify patients, which respond better or worse to an experimental treatment. While a variety of different subgroup identification methods have been developed for the situation of…

Methodology · Statistics 2020-01-22 Marius Thomas , Björn Bornkamp , Heidi Seibold

This study investigates a data-driven machine learning approach to predict membrane fouling in critically ill patients undergoing Continuous Renal Replacement Therapy (CRRT). Using time-series data from an ICU, 16 clinically selected…

Researching the specificity of TCR contributes to the development of immunotherapy and provides new opportunities and strategies for personalized cancer immunotherapy. Therefore, we established a TCR generative specificity detection…

Quantitative Methods · Quantitative Biology 2024-07-30 Tengyao Tu , Wei Zeng , Kun Zhao , Zhenyu Zhang

Fast screening of drug molecules based on the ligand binding affinity is an important step in the drug discovery pipeline. Graph neural fingerprint is a promising method for developing molecular docking surrogates with high throughput and…

Understanding the molecular determinants of specificity in protein-protein interaction is an outstanding challenge of postgenome biology. The availability of large protein databases generated from sequences of hundreds of bacterial genomes…

Biomolecules · Quantitative Biology 2009-01-12 M. Weigt , R. A. White , H. Szurmant , J. A. Hoch , T. Hwa

The COVID-19 crisis called for rapid reaction from all the fields of biomedical research. Traditional drug development involves time consuming pipelines that conflict with the urgence of identifying effective therapies during a health and…

Genomics · Quantitative Biology 2020-05-06 Francesco Napolitano , Gennaro Gambardella , Diego Carrella , Xin Gao , Diego di Bernardo

The novel 2019 Coronavirus disease (COVID-19) global pandemic is a defining health crisis. Recent efforts have been increasingly directed towards achieving quick and accurate detection of COVID-19 across symptomatic patients to mitigate the…

Image and Video Processing · Electrical Eng. & Systems 2023-11-27 Karina Yang , Alexis Bennett , Dominique Duncan

Purpose: To develop a retrieval-augmented generation (RAG) system powered by LLaMA-4 109B for automated, protocol-aware, and interpretable evaluation of radiotherapy treatment plans. Methods and Materials: We curated a multi-protocol…

In recent years, the field of medicine has been increasingly adopting artificial intelligence (AI) technologies to provide faster and more accurate disease detection, prediction, and assessment. In this study, we propose an interpretable AI…

Determining causal effects of interventions onto outcomes from real-world, observational (non-randomized) data, e.g., treatment repurposing using electronic health records, is challenging due to underlying bias. Causal deep learning has…

Machine Learning · Computer Science 2025-10-23 Shantanu Ghosh , Zheng Feng , Jiang Bian , Kevin Butler , Mattia Prosperi

Adversarial robustness of deep models is pivotal in ensuring safe deployment in real world settings, but most modern defenses have narrow scope and expensive costs. In this paper, we propose a self-supervised method to detect adversarial…

Cryptography and Security · Computer Science 2021-09-01 Mazda Moayeri , Soheil Feizi

Machine learning applications in protein sciences have ushered in a new era for designing molecules in silico. Antibodies, which currently form the largest group of biologics in clinical use, stand to benefit greatly from this shift.…

Considering the profound transformation affecting pathology practice, we aimed to develop a scalable artificial intelligence (AI) system to diagnose colorectal cancer from whole-slide images (WSI). For this, we propose a deep learning (DL)…

The robustness of federated learning (FL) is vital for the distributed training of an accurate global model that is shared among large number of clients. The collaborative learning framework by typically aggregating model updates is…

In the recent years, therapeutic use of antibodies has seen a huge growth, due to their inherent proprieties and technological advances in the methods used to study and characterize them. Effective design and engineering of antibodies for…

Biomolecules · Quantitative Biology 2020-05-08 Francesco Ambrosetti , Zuzana Jandova , Alexandre M. J. J. Bonvin

The computer-aided diagnosis of focal liver lesions (FLLs) can help improve workflow and enable correct diagnoses; FLL detection is the first step in such a computer-aided diagnosis. Despite the recent success of deep-learning-based…

Image and Video Processing · Electrical Eng. & Systems 2021-12-20 Sang-gil Lee , Eunji Kim , Jae Seok Bae , Jung Hoon Kim , Sungroh Yoon