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Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural networks have gained significant attention, but their…

With the advancement of high-throughput biotechnologies, we increasingly accumulate biomedical data about diseases, especially cancer. There is a need for computational models and methods to sift through, integrate, and extract new…

Quantitative Methods · Quantitative Biology 2020-07-03 Thomas Gaudelet , Noel Malod-Dognin , Natasa Przulj

Common document ranking pipelines in search systems are cascade systems that involve multiple ranking layers to integrate different information step-by-step. In this paper, we propose a novel re-ranker Fusion-in-T5 (FiT5), which integrates…

Information Retrieval · Computer Science 2024-05-07 Shi Yu , Chenghao Fan , Chenyan Xiong , David Jin , Zhiyuan Liu , Zhenghao Liu

Metabolomic data sets provide a direct read-out of cellular phenotypes and are increasingly generated to study biological questions. Our previous work revealed the potential of analyzing extracellular metabolomic data in the context of the…

Molecular Networks · Quantitative Biology 2016-06-10 Maike K. Aurich , Ronan M. T. Fleming , Ines Thiele

As key elements within the central dogma, DNA, RNA, and proteins play crucial roles in maintaining life by guaranteeing accurate genetic expression and implementation. Although research on these molecules has profoundly impacted fields like…

Representation learning for protein biochemical space faces a difficult trade-off: protein language models excel at capturing long-range biological semantics but often miss fine-grained chemical details. Conversely, chemical language models…

Biomolecules · Quantitative Biology 2026-03-03 Chunbin Gu , Zijun Gao , Mutian He , Jingjie Zhang , Haipeng Wen , Zihao Luo , Xiaorui Wang , Hanqun Cao , Jiajun Bu , Chang-Yu Hsieh , Pheng Ann Heng

The advancement of artificial intelligence (AI) for organ segmentation and tumor detection is propelled by the growing availability of computed tomography (CT) datasets with detailed, per-voxel annotations. However, these AI models often…

Image and Video Processing · Electrical Eng. & Systems 2024-05-29 Jie Liu , Yixiao Zhang , Kang Wang , Mehmet Can Yavuz , Xiaoxi Chen , Yixuan Yuan , Haoliang Li , Yang Yang , Alan Yuille , Yucheng Tang , Zongwei Zhou

Biomedical data is inherently multimodal, consisting of electronic health records, medical imaging, digital pathology, genome sequencing, wearable sensors, and more. The application of artificial intelligence tools to these multifaceted…

Machine Learning · Computer Science 2024-08-26 Shentong Mo , Paul Pu Liang

End-to-end text image translation (TIT), which aims at translating the source language embedded in images to the target language, has attracted intensive attention in recent research. However, data sparsity limits the performance of…

Computation and Language · Computer Science 2022-10-11 Cong Ma , Yaping Zhang , Mei Tu , Xu Han , Linghui Wu , Yang Zhao , Yu Zhou

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

Breast ultrasound interpretation requires simultaneous lesion segmentation and tissue classification. However, conventional multi-task learning approaches suffer from task interference and rigid coordination strategies that fail to adapt to…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Abdullah Al Shafi , Md Kawsar Mahmud Khan Zunayed , Safin Ahmmed , Sk Imran Hossain , Engelbert Mephu Nguifo

In the molecular domain, numerous studies have explored the use of multimodal large language models (LLMs) to construct a general-purpose, multi-task molecular model. However, these efforts are still far from achieving a truly universal…

Machine Learning · Computer Science 2025-10-31 Chengxin Hu , Hao Li , Yihe Yuan , Zezheng Song , Chenyang Zhao , Haixin Wang

Large language models (LLMs) such as ChatGPT are fine-tuned on large and diverse instruction-following corpora, and can generalize to new tasks. However, those instruction-tuned LLMs often perform poorly in specialized medical natural…

Computation and Language · Computer Science 2025-03-11 Yujuan Velvin Fu , Giridhar Kaushik Ramachandran , Namu Park , Kevin Lybarger , Fei Xia , Ozlem Uzuner , Meliha Yetisgen

Models that rely on subword tokenization have significant drawbacks, such as sensitivity to character-level noise like spelling errors and inconsistent compression rates across different languages and scripts. While character- or byte-level…

Computation and Language · Computer Science 2025-04-03 Julie Kallini , Shikhar Murty , Christopher D. Manning , Christopher Potts , Róbert Csordás

Medical text embedding models are foundational to a wide array of healthcare applications, ranging from clinical decision support and biomedical information retrieval to medical question answering, yet they remain hampered by two critical…

Computation and Language · Computer Science 2025-08-07 Mohammad Khodadad , Ali Shiraee Kasmaee , Mahdi Astaraki , Hamidreza Mahyar

Bioinformatics has witnessed a paradigm shift with the increasing integration of artificial intelligence (AI), particularly through the adoption of foundation models (FMs). These AI techniques have rapidly advanced, addressing historical…

Quantitative Methods · Quantitative Biology 2024-02-08 Qing Li , Zhihang Hu , Yixuan Wang , Lei Li , Yimin Fan , Irwin King , Le Song , Yu Li

The application of deep learning methods, particularly foundation models, in biological research has surged in recent years. These models can be text-based or trained on underlying biological data, especially omics data of various types.…

Artificial Intelligence · Computer Science 2024-12-06 Yoav Kan-Tor , Michael Morris Danziger , Eden Zohar , Matan Ninio , Yishai Shimoni

Deep learning has deeply influenced protein science, enabling breakthroughs in predicting protein properties, higher-order structures, and molecular interactions. This paper introduces DeepProtein, a comprehensive and user-friendly deep…

Machine Learning · Computer Science 2025-06-17 Jiaqing Xie , Tianfan Fu

Large language models have made significant strides in natural language processing, enabling innovative applications in molecular science by processing textual representations of molecules. However, most existing language models cannot…

Machine Learning · Computer Science 2024-02-07 Pengfei Liu , Yiming Ren , Jun Tao , Zhixiang Ren

Pre-trained language models have attracted increasing attention in the biomedical domain, inspired by their great success in the general natural language domain. Among the two main branches of pre-trained language models in the general…

Computation and Language · Computer Science 2023-04-04 Renqian Luo , Liai Sun , Yingce Xia , Tao Qin , Sheng Zhang , Hoifung Poon , Tie-Yan Liu