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Explainable ML for molecular toxicity prediction is a promising approach for efficient drug development and chemical safety. A predictive ML model of toxicity can reduce experimental cost and time while mitigating ethical concerns by…

Quantitative Methods · Quantitative Biology 2022-04-15 Bhanushee Sharma , Vijil Chenthamarakshan , Amit Dhurandhar , Shiranee Pereira , James A. Hendler , Jonathan S. Dordick , Payel Das

DNA methylation is an important epigenetic mark that has been studied extensively for its regulatory role in biological processes and diseases. WGBS allows for genome-wide measurements of DNA methylation up to single-base resolutions, yet…

Objective: To combine medical knowledge and medical data to interpretably predict the risk of disease. Methods: We formulated the disease prediction task as a random walk along a knowledge graph (KG). Specifically, we build a KG to record…

Machine Learning · Computer Science 2023-01-09 Zhoujian Sun , Wei Dong , Jinlong Shi , Zhengxing Huang

A novel method to classify human cells is presented in this work based on the transform-domain method on DNA methylation data. DNA methylation profile variations are observed in human cells with the progression of disease stages, and the…

Genomics · Quantitative Biology 2020-01-01 Xueyuan Zhao , Dario Pompili

Motor dysfunction is a common sign of neurodegenerative diseases (NDs) such as Parkinson's disease (PD) and Alzheimer's disease (AD), but may be difficult to detect, especially in the early stages. In this work, we examine the behavior of a…

Neurons and Cognition · Quantitative Biology 2025-10-23 Thomas Thebaud , Anna Favaro , Casey Chen , Gabrielle Chavez , Laureano Moro-Velazquez , Ankur Butala , Najim Dehak

Diagnosing hepatic diseases accurately and interpretably is critical, yet it remains challenging in real-world clinical settings. Existing AI approaches for clinical diagnosis often lack transparency, structured reasoning, and…

Artificial Intelligence · Computer Science 2026-03-06 Zheng Li , Jiayi Xu , Zhikai Hu , Hechang Chen , Lele Cong , Yunyun Wang , Shuchao Pang

In cancer therapeutics, protein-metal binding mechanisms critically govern the pharmacokinetics and targeting efficacy of drugs, thereby fundamentally shaping the rational design of anticancer metallodrugs. While conventional laboratory…

Single neurons in neural networks are often interpretable in that they represent individual, intuitively meaningful features. However, many neurons exhibit $\textit{mixed selectivity}$, i.e., they represent multiple unrelated features. A…

Machine Learning · Statistics 2023-10-19 David Klindt , Sophia Sanborn , Francisco Acosta , Frédéric Poitevin , Nina Miolane

Finely-tuned enzymatic pathways control cellular processes, and their dysregulation can lead to disease. Creating predictive and interpretable models for these pathways is challenging because of the complexity of the pathways and of the…

Molecular Networks · Quantitative Biology 2023-10-02 Zijun Zhang , Adam R. Lamson , Michael Shelley , Olga Troyanskaya

MicroRNAs (miRNAs) are small endogenous regulatory molecules that modulate gene expression post-transcriptionally. Although differential expression of miRNAs have been implicated in many diseases (including cancers), the underlying…

Genomics · Quantitative Biology 2018-01-09 Gary Wilk , Rosemary Braun

Mitochondrial diseases are currently untreatable due to our limited understanding of their pathology. We study the expression of various mitochondrial proteins in skeletal myofibres (SM) in order to discover processes involved in…

Machine Learning · Computer Science 2022-11-01 Atif Khan , Conor Lawless , Amy E Vincent , Satish Pilla , Sushanth Ramesh , A. Stephen McGough

We propose a new semi-supervised learning method on face-related tasks based on Multi-Task Learning (MTL) and data distillation. The proposed method exploits multiple datasets with different labels for different-but-related tasks such as…

Computer Vision and Pattern Recognition · Computer Science 2019-07-10 Sepidehsadat Hosseini , Mohammad Amin Shabani , Nam Ik Cho

Machine Learning (ML) has recently been demonstrated to rival expert-level human accuracy in prediction and detection tasks in a variety of domains, including medicine. Despite these impressive findings, however, a key barrier to the full…

Artificial Intelligence · Computer Science 2021-07-01 D. Fompeyrine , E. S. Vorm , N. Ricka , F. Rose , G. Pellegrin

Automatic differential diagnosis (DDx) is an essential medical task that generates a list of potential diseases as differentials based on patient symptom descriptions. In practice, interpreting these differential diagnoses yields…

Computation and Language · Computer Science 2024-11-08 Shuang Zhou , Mingquan Lin , Sirui Ding , Jiashuo Wang , Genevieve B. Melton , James Zou , Rui Zhang

New technologies have led to vast troves of large and complex datasets across many scientific domains and industries. People routinely use machine learning techniques to not only process, visualize, and make predictions from this big data,…

Machine Learning · Statistics 2023-08-04 Genevera I. Allen , Luqin Gan , Lili Zheng

A central goal in understanding human vision is to uncover the visual features that drive neuronal activity. A growing body of work has used artificial neural networks as encoding models to predict cortical responses to natural images,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Idan Daniel Grosbard , Mor Geva , Galit Yovel

Dermatological conditions affect 1.9 billion people globally, yet accurate diagnosis remains challenging due to limited specialist availability and complex clinical presentations. Family history significantly influences skin disease…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Satya Narayana Panda , Vaishnavi Kukkala , Spandana Iyer

Artificial intelligence (AI) has transformed digital pathology by enabling biomarker prediction from high-resolution whole-slide images (WSIs). However, current methods are computationally inefficient, processing thousands of redundant…

Microscopy image analysis is fundamental for different applications, from diagnosis to synthetic engineering and environmental monitoring. Modern acquisition systems have granted the possibility to acquire an escalating amount of images,…

Computer Vision and Pattern Recognition · Computer Science 2025-06-26 Jacopo Dapueto , Vito Paolo Pastore , Nicoletta Noceti , Francesca Odone

Understanding mechanistic relationships among genes and their impacts on biological pathways is essential for elucidating disease mechanisms and advancing precision medicine. Despite the availability of extensive molecular interaction and…

Molecular Networks · Quantitative Biology 2026-03-24 Fujian Jia , Jiwen Gu , Cheng Lu , Dezhi Zhao , Mengjiang Huang , Yuanzhi Lu , Xin Liu , Kang Liu