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The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

Machine Learning · Computer Science 2026-04-07 Yaxin Xu , Yue Zhou , Tianyu Zhao , Fengwei An , Zhixiang Ren

Large language models (LLMs) hold promise for transforming healthcare, from streamlining administrative and clinical workflows to enriching patient engagement and advancing clinical decision-making. However, their successful integration…

Computers and Society · Computer Science 2025-04-04 Mohammed Al-Garadi , Tushar Mungle , Abdulaziz Ahmed , Abeed Sarker , Zhuqi Miao , Michael E. Matheny

We present a latent variable model for classification that provides a novel probabilistic interpretation of neural network softmax classifiers. We derive a variational objective to train the model, analogous to the evidence lower bound…

Machine Learning · Computer Science 2024-01-10 Shehzaad Dhuliawala , Mrinmaya Sachan , Carl Allen

Multimodal clinical prediction is widely used to integrate heterogeneous data such as Electronic Health Records (EHR) and biosignals. However, existing methods tend to rely on static modality integration schemes and simple fusion…

Machine Learning · Computer Science 2026-01-16 Jongseok Kim , Seongae Kang , Jonghwan Shin , Yuhan Lee , Ohyun Jo

We define a general V-fold cross-validation type method based on robust tests, which is an extension of the hold-out defined by Birg{\'e} [7, Section 9]. We give some theoretical results showing that, under some weak assumptions on the…

Statistics Theory · Mathematics 2015-06-16 Lucien Birgé , Nelo Magalhães , Pascal Massart

Estimating heterogeneous treatment effects has become increasingly important in many fields and life and death decisions are now based on these estimates: for example, selecting a personalized course of medical treatment. Recently, a…

Methodology · Statistics 2019-04-01 Sören R. Künzel , Simon J. S. Walter , Jasjeet S. Sekhon

Current transferability estimation methods designed for natural image datasets are often suboptimal in medical image classification. These methods primarily focus on estimating the suitability of pre-trained source model features for a…

Computer Vision and Pattern Recognition · Computer Science 2024-12-31 Dovile Juodelyte , Enzo Ferrante , Yucheng Lu , Prabhant Singh , Joaquin Vanschoren , Veronika Cheplygina

Performance of text classification models tends to drop over time due to changes in data, which limits the lifetime of a pretrained model. Therefore an ability to predict a model's ability to persist over time can help design models that…

Computation and Language · Computer Science 2022-11-22 Rabab Alkhalifa , Elena Kochkina , Arkaitz Zubiaga

Given a gene expression data array of a list of bladder cancer patients with their tumor states, it may be difficult to determine which genes can operate as disease markers when the array is large and possibly contains outliers and missing…

Imaging demonstrates that preclinical and human tumors are heterogeneous, i.e. a single tumor can exhibit multiple regions that behave differently during both normal development and also in response to treatment. The large variations…

Computer Vision and Pattern Recognition · Computer Science 2022-09-08 P. D. Tar , N. A. Thacker , J. P. B. O'Connor

Breakthroughs in cancer biology have defined new research programs emphasizing the development of therapies that target specific pathways in tumor cells. Innovations in clinical trial design have followed with master protocols defined by…

Methodology · Statistics 2020-07-09 Alexander M. Kaizer , Joseph S. Koopmeiners , Nan Chen , Brian P. Hobbs

Stereoselective reactions (both chemical and enzymatic reactions) have been essential for origin of life, evolution, human biology and medicine. Since late 1960s, there have been numerous successes in the exciting new frontier of asymmetric…

Machine Learning · Computer Science 2021-10-13 Justin Li , Dakang Zhang , Yifei Wang , Christopher Ye , Hao Xu , Pengyu Hong

Identifying important biomarkers that are predictive for cancer patients' prognosis is key in gaining better insights into the biological influences on the disease and has become a critical component of precision medicine. The emergence of…

Methodology · Statistics 2016-03-22 Hyokyoung Grace Hong , Jian Kang , Yi Li

HOI detection has long been dominated by task-specific models, sometimes with early vision-language backbones such as CLIP. With the rise of large generative VLMs, a key question is whether standalone VLMs can perform HOI detection…

Computer Vision and Pattern Recognition · Computer Science 2026-03-20 Qinqian Lei , Bo Wang , Robby T. Tan

In this paper, we investigate the hypothesis testing problem that checks whether part of covariates / confounders significantly affect the heterogeneous treatment effect given all covariates. This model checking is particularly useful in…

Statistics Theory · Mathematics 2020-09-24 Niwen Zhou , Xu Guo , Lixing Zhu

A multi-reader multi-case (MRMC) analysis is applied to account for both reader and case variability when evaluating the clinical performance of a medical imaging device or reader performance under different reading modalities. For a…

Quantitative Methods · Quantitative Biology 2023-12-27 Si Wen , Brandon D. Gallas

Assessing the quality of cancer care administered by US health providers poses numerous challenges due to meaningful heterogeneity in patient populations. Patients undergoing oncology treatment exhibit substantial variation in disease…

Applications · Statistics 2025-02-17 Yige Li , Nancy L. Keating , Mary Beth Landrum , Jose R. Zubizarreta

As large language models (LLMs) continue to advance, accurately and comprehensively evaluating their performance becomes increasingly challenging. Ranking the relative performance of LLMs based on Elo ratings, according to human judgment,…

Computation and Language · Computer Science 2023-11-14 Minghao Wu , Alham Fikri Aji

This technical report investigates variants of the Latent Inceptionism on Molecules (LIMO) framework to improve the properties of generated molecules. We conduct ablative studies of molecular representation, decoder model, and surrogate…

Machine Learning · Computer Science 2024-07-23 Vineet Thumuluri , Peter Eckmann , Michael K. Gilson , Rose Yu

Learning heterogeneous treatment effects (HTEs) is an important problem across many fields. Most existing methods consider the setting with a single treatment arm and a single outcome metric. However, in many real world domains, experiments…

Machine Learning · Computer Science 2022-06-13 Leon Yao , Caroline Lo , Israel Nir , Sarah Tan , Ariel Evnine , Adam Lerer , Alex Peysakhovich