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Although traditional statistical techniques and machine learning methods have contributed significantly to genetics and, in particular, inherited disease diagnosis, they often struggle with complex, high-dimensional data, a challenge now…

Machine Learning · Computer Science 2025-08-29 Anton Changalidis , Yury Barbitoff , Yulia Nasykhova , Andrey Glotov

Protein engineering is an emerging field in biotechnology that has the potential to revolutionize various areas, such as antibody design, drug discovery, food security, ecology, and more. However, the mutational space involved is too vast…

Biomolecules · Quantitative Biology 2023-07-28 Yuchi Qiu , Guo-Wei Wei

Recent advances in protein language models (PLMs) have demonstrated remarkable capabilities in understanding protein sequences. However, the extent to which different model architectures capture antibody-specific biological properties…

Machine Learning · Computer Science 2025-12-11 Mengren , Liu , Yixiang Zhang , Yiming , Zhang

Nanobodies -- single-domain antibody fragments derived from camelid heavy-chain-only antibodies -- exhibit unique advantages such as compact size, high stability, and strong binding affinity, making them valuable tools in therapeutics and…

Machine Learning · Computer Science 2025-07-29 Yiming Zhang , Koji Tsuda

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

Tissues and organs are composed of distinct cell types that must operate in concert to perform physiological functions. Efforts to create high-dimensional biomarker catalogs of these cells are largely based on transcriptomic single-cell…

The accurate prediction of antigen-antibody structures is essential for advancing immunology and therapeutic development, as it helps elucidate molecular interactions that underlie immune responses. Despite recent progress with deep…

Biomolecules · Quantitative Biology 2024-12-16 Jie Gao , Jing Hu , Lihang Liu , Yang Xue , Kunrui Zhu , Xiaonan Zhang , Xiaomin Fang

In the past, the development of vaccines and immunotherapeutics relied heavily on trial-and-error experimentation and extensive in vivo testing, often requiring years of pre-clinical and clinical trials. Today, artificial intelligence (AI)…

Artificial Intelligence · Computer Science 2025-06-17 Elhoucine Elfatimi , Yassir Lekbach , Swayam Prakash , Lbachir BenMohamed

Antibody therapies have been employed to address some of today's most challenging diseases, but must meet many criteria during drug development before reaching a patient. Humanization is a sequence optimization strategy that addresses one…

Machine Learning · Computer Science 2024-12-10 Cade Gordon , Aniruddh Raghu , Peyton Greenside , Hunter Elliott

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

Radiotherapy is a crucial cancer treatment that demands precise planning to balance tumor eradication and preservation of healthy tissue. Traditional treatment planning (TP) is iterative, time-consuming, and reliant on human expertise,…

Machine Learning · Computer Science 2025-02-10 Matteo Ferrante , Alessandra Carosi , Rolando Maria D Angelillo , Nicola Toschi

The primary objective of most lead optimization campaigns is to enhance the binding affinity of ligands. For large molecules such as antibodies, identifying mutations that enhance antibody affinity is particularly challenging due to the…

Machine Learning · Computer Science 2024-06-12 Alexandra Gessner , Sebastian W. Ober , Owen Vickery , Dino Oglić , Talip Uçar

Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into…

Machine Learning · Computer Science 2025-06-13 Cheng-Yen Hsieh , Xinyou Wang , Daiheng Zhang , Dongyu Xue , Fei Ye , Shujian Huang , Zaixiang Zheng , Quanquan Gu

Biological datasets amenable to applied machine learning are more available today than ever before, yet they lack adequate representation in the Data-for-Good community. Here we present a work in progress case study performing analysis on…

Machine Learning · Statistics 2016-07-06 John W. Santerre , James J. Davis , Fangfang Xia , Rick Stevens

Substantial advances in multi-modal Artificial Intelligence (AI) facilitate the combination of diverse medical modalities to achieve holistic health assessments. We present COMPRER , a novel multi-modal, multi-objective pretraining…

Computer Vision and Pattern Recognition · Computer Science 2024-03-18 Guy Lutsker , Hagai Rossman , Nastya Godiva , Eran Segal

Recent advancements in the acquisition of various brain data sources have created new opportunities for integrating multimodal brain data to assist in early detection of complex brain disorders. However, current data integration approaches…

Image and Video Processing · Electrical Eng. & Systems 2023-05-26 Reza Shirkavand , Liang Zhan , Heng Huang , Li Shen , Paul M. Thompson

Multi-modal learning is a fast growing area in artificial intelligence. It tries to help machines understand complex things by combining information from different sources, like images, text, and audio. By using the strengths of each…

Machine Learning · Computer Science 2025-12-22 Qihang Jin , Enze Ge , Yuhang Xie , Hongying Luo , Junhao Song , Ziqian Bi , Chia Xin Liang , Jibin Guan , Joe Yeong , Xinyuan Song , Junfeng Hao

Artificial Intelligence models have demonstrated significant success in diagnosing skin diseases, including cancer, showing the potential to assist clinicians in their analysis. However, the interpretability of model predictions must be…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Max Torop , Masih Eskandar , Nicholas Kurtansky , Jinyang Liu , Jochen Weber , Octavia Camps , Veronica Rotemberg , Jennifer Dy , Kivanc Kose

Deep learning offers transformative potential in medical imaging, yet its clinical adoption is frequently hampered by challenges such as data scarcity, distribution shifts, and the need for robust task generalization. Prompt-based…

Image and Video Processing · Electrical Eng. & Systems 2025-07-03 Hao Yang , Xinlong Liang , Zhang Li , Yue Sun , Zheyu Hu , Xinghe Xie , Behdad Dashtbozorg , Jincheng Huang , Shiwei Zhu , Luyi Han , Jiong Zhang , Shanshan Wang , Ritse Mann , Qifeng Yu , Tao Tan

Recent advances in computational pathology and artificial intelligence have significantly enhanced the utilization of gigapixel whole-slide images and and additional modalities (e.g., genomics) for pathological diagnosis. Although deep…

Computer Vision and Pattern Recognition · Computer Science 2025-05-21 Qichen Sun , Zhengrui Guo , Rui Peng , Hao Chen , Jinzhuo Wang