English
Related papers

Related papers: MAMMAL -- Molecular Aligned Multi-Modal Architectu…

200 papers

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Machine Learning · Computer Science 2025-08-05 Qian Tan , Dongzhan Zhou , Peng Xia , Wanhao Liu , Wanli Ouyang , Lei Bai , Yuqiang Li , Tianfan Fu

Large Language Models (LLMs) have recently demonstrated remarkable performance in general tasks across various fields. However, their effectiveness within specific domains such as drug development remains challenges. To solve these…

Artificial Intelligence · Computer Science 2024-10-16 Tengfei Ma , Xuan Lin , Tianle Li , Chaoyi Li , Long Chen , Peng Zhou , Xibao Cai , Xinyu Yang , Daojian Zeng , Dongsheng Cao , Xiangxiang Zeng

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

Machine Learning · Computer Science 2024-10-18 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Gradient-based meta-learners such as MAML are able to learn a meta-prior from similar tasks to adapt to novel tasks from the same distribution with few gradient updates. One important limitation of such frameworks is that they seek a common…

Machine Learning · Computer Science 2018-12-19 Risto Vuorio , Shao-Hua Sun , Hexiang Hu , Joseph J. Lim

Current multilingual vision-language models either require a large number of additional parameters for each supported language, or suffer performance degradation as languages are added. In this paper, we propose a Scalable Multilingual…

Computer Vision and Pattern Recognition · Computer Science 2020-08-31 Andrea Burns , Donghyun Kim , Derry Wijaya , Kate Saenko , Bryan A. Plummer

Developing therapeutics is a lengthy and expensive process that requires the satisfaction of many different criteria, and AI models capable of expediting the process would be invaluable. However, the majority of current AI approaches…

Biological function emerges from coupled constraints across sequence, structure, regulation, evolution, and cellular context, yet most foundation models in biology are trained within one modality or for a fixed forward task. We present…

Predicting enzymatic reactions is crucial for applications in biocatalysis, metabolic engineering, and drug discovery, yet it remains a complex and resource-intensive task. Large Language Models (LLMs) have recently demonstrated remarkable…

Artificial Intelligence · Computer Science 2025-05-12 Lorenzo Di Fruscia , Jana Marie Weber

Large language models (LLMs) have shown promising capabilities in visually interpreting medical time-series data. However, their general-purpose design can limit domain-specific precision, and the proprietary nature of many models poses…

Artificial Intelligence · Computer Science 2025-07-22 Huayu Li , Zhengxiao He , Xiwen Chen , Ci Zhang , Stuart F. Quan , William D. S. Killgore , Shu-Fen Wung , Chen X. Chen , Geng Yuan , Jin Lu , Ao Li

Multimodal artificial intelligence (AI) systems have the potential to enhance clinical decision-making by interpreting various types of medical data. However, the effectiveness of these models across all medical fields is uncertain. Each…

Multimodal molecular representation learning, which jointly models molecular graphs and their textual descriptions, enhances predictive accuracy and interpretability by enabling more robust and reliable predictions of drug toxicity,…

Machine Learning · Computer Science 2025-10-21 Yingxu Wang , Kunyu Zhang , Jiaxin Huang , Nan Yin , Siwei Liu , Eran Segal

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

Machine Learning · Computer Science 2024-03-11 Zhiqiang Zhong , Kuangyu Zhou , Davide Mottin

Large Language Models (LLMs) have significantly advanced molecular discovery, but existing multimodal molecular architectures fundamentally rely on autoregressive (AR) backbones. This strict left-to-right inductive bias is sub-optimal for…

Artificial Intelligence · Computer Science 2026-04-08 Seohyeon Shin , HanJun Choi , Jun-Hyung Park , Hong Kook Kim , Mansu Kim

Large language models (LLMs) and vision-language models (VLMs) have the potential to transform biological research by enabling autonomous experimentation. Yet, their application remains constrained by rigid protocol design, limited…

Robotics · Computer Science 2025-07-03 Yibo Qiu , Zan Huang , Zhiyu Wang , Handi Liu , Yiling Qiao , Yifeng Hu , Shu'ang Sun , Hangke Peng , Ronald X Xu , Mingzhai Sun

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

This research paper addresses the challenge of modality mismatch in multimodal learning, where the modalities available during inference differ from those available at training. We propose the Text-centric Alignment for Multi-Modality…

Machine Learning · Computer Science 2024-05-22 Yun-Da Tsai , Ting-Yu Yen , Pei-Fu Guo , Zhe-Yan Li , Shou-De Lin

Prediction tasks in digital pathology are challenging due to the massive size of whole-slide images (WSIs) and the weak nature of training signals. Advances in computing, data availability, and self-supervised learning (SSL) have paved the…

Image and Video Processing · Electrical Eng. & Systems 2026-02-02 Vishwesh Ramanathan , Tony Xu , Pushpak Pati , Faruk Ahmed , Maged Goubran , Anne L. Martel

The molecular large language models have garnered widespread attention due to their promising potential on molecular applications. However, current molecular large language models face significant limitations in understanding molecules due…

Biomolecules · Quantitative Biology 2025-10-23 Zaifei Yang , Hong Chang , Ruibing Hou , Shiguang Shan , Xilin Chen

This paper introduces M$^{3}$-20M, a large-scale Multi-Modal Molecule dataset that contains over 20 million molecules, with the data mainly being integrated from existing databases and partially generated by large language models. Designed…

Quantitative Methods · Quantitative Biology 2025-03-18 Siyuan Guo , Lexuan Wang , Chang Jin , Jinxian Wang , Han Peng , Huayang Shi , Wengen Li , Jihong Guan , Shuigeng Zhou

We present BioLangFusion, a simple approach for integrating pre-trained DNA, mRNA, and protein language models into unified molecular representations. Motivated by the central dogma of molecular biology (information flow from gene to…

Machine Learning · Computer Science 2025-06-11 Amina Mollaysa , Artem Moskale , Pushpak Pati , Tommaso Mansi , Mangal Prakash , Rui Liao