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The prediction of molecular properties is a crucial task in the field of material and drug discovery. The potential benefits of using deep learning techniques are reflected in the wealth of recent literature. Still, these techniques are…

Machine Learning · Computer Science 2023-09-06 Minghao Guo , Veronika Thost , Samuel W Song , Adithya Balachandran , Payel Das , Jie Chen , Wojciech Matusik

Multi-modal tracking gains attention due to its ability to be more accurate and robust in complex scenarios compared to traditional RGB-based tracking. Its key lies in how to fuse multi-modal data and reduce the gap between modalities.…

Computer Vision and Pattern Recognition · Computer Science 2022-08-02 Jinyu Yang , Zhe Li , Feng Zheng , Aleš Leonardis , Jingkuan Song

Encoding models have been used to assess how the human brain represents concepts in language and vision. While language and vision rely on similar concept representations, current encoding models are typically trained and tested on brain…

Computation and Language · Computer Science 2023-05-23 Jerry Tang , Meng Du , Vy A. Vo , Vasudev Lal , Alexander G. Huth

The efficient exploration of chemical space remains a central challenge, as many generative models still produce unstable or non-synthesizable compounds. To address these limitations, we present EvoMol-RL, a significant extension of the…

Machine Learning · Computer Science 2025-10-02 Gaelle Milon-Harnois , Chaimaa Touhami , Nicolas Gutowski , Benoit Da Mota , Thomas Cauchy

Multimodal pathology-genomic analysis is critical for cancer survival prediction. However, existing approaches predominantly integrate formalin-fixed paraffin-embedded (FFPE) slides with genomic data, while neglecting the availability of…

Computer Vision and Pattern Recognition · Computer Science 2025-06-25 Mingcheng Qu , Guang Yang , Donglin Di , Yue Gao , Tonghua Su , Yang Song , Lei Fan

Multimodal learning has mainly focused on learning large models on, and fusing feature representations from, different modalities for better performances on downstream tasks. In this work, we take a detour from this trend and study the…

Computer Vision and Pattern Recognition · Computer Science 2023-05-08 Yifeng Shi , Marc Niethammer

Molecular property prediction is one of the fastest-growing applications of deep learning with critical real-world impacts. Including 3D molecular structure as input to learned models improves their performance for many molecular tasks.…

Designing molecules with specific properties is a long-lasting research problem and is central to advancing crucial domains such as drug discovery and material science. Recent advances in deep graph generative models treat molecule design…

Machine Learning · Computer Science 2022-03-02 Yuanqi Du , Xiaojie Guo , Amarda Shehu , Liang Zhao

Accurate classification of pediatric central nervous system tumors remains challenging due to histological complexity and limited training data. While pathology foundation models have advanced whole-slide image (WSI) analysis, they often…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Jian Yu , Joakim Nguyen , Jinrui Fang , Awais Naeem , Zeyuan Cao , Sanjay Krishnan , Nicholas Konz , Tianlong Chen , Chandra Krishnan , Hairong Wang , Edward Castillo , Ying Ding , Ankita Shukla

Machine Learning models have emerged as a powerful tool for fast and accurate prediction of different crystalline properties. Exiting state-of-the-art models rely on a single modality of crystal data i.e. crystal graph structure, where they…

Materials Science · Physics 2023-07-12 Kishalay Das , Pawan Goyal , Seung-Cheol Lee , Satadeep Bhattacharjee , Niloy Ganguly

Multimodal representation learning is a challenging task in which previous work mostly focus on either uni-modality pre-training or cross-modality fusion. In fact, we regard modeling multimodal representation as building a skyscraper, where…

Computation and Language · Computer Science 2024-08-15 Ronghao Lin , Haifeng Hu

Protein homology search underlies function annotation, structure prediction, and evolutionary analysis, but remains challenging in the "twilight zone," where global sequence similarity is weak and classical alignment methods lose…

Machine Learning · Computer Science 2026-05-29 Gabrielle Cohn , Rohan Gumaste , Minh Hoang , Vihan Lakshman

Multimodal molecular models often suffer from 3D conformer unreliability and modality collapse, limiting their robustness and generalization. We propose MuMo, a structured multimodal fusion framework that addresses these challenges in…

Machine Learning · Computer Science 2025-10-29 Zihao Jing , Yan Sun , Yan Yi Li , Sugitha Janarthanan , Alana Deng , Pingzhao Hu

Multimodal recommender systems improve the performance of canonical recommender systems with no item features by utilizing diverse content types such as text, images, and videos, while alleviating inherent sparsity of user-item interactions…

Information Retrieval · Computer Science 2026-03-25 Yu-Seung Roh , Joo-Young Kim , Jin-Duk Park , Won-Yong Shin

Large Language Models (LLMs) have demonstrated remarkable generalization and instruction-following capabilities with instruction tuning. The advancements in LLMs and instruction tuning have led to the development of Large Vision-Language…

Machine Learning · Computer Science 2024-11-05 Jinyoung Park , Minseong Bae , Dohwan Ko , Hyunwoo J. Kim

Molecular property prediction aims to learn representations that map chemical structures to functional properties. While multimodal learning has emerged as a powerful paradigm to learn molecular representations, prior works have largely…

Machine Learning · Computer Science 2026-03-03 Feng Jiang , Mangal Prakash , Hehuan Ma , Jianyuan Deng , Yuzhi Guo , Amina Mollaysa , Tommaso Mansi , Rui Liao , Junzhou Huang

Large Language Models (LLMs) have demonstrated exceptional proficiency in text understanding and embedding tasks. However, their potential in multimodal representation, particularly for item-to-item (I2I) recommendations, remains…

Information Retrieval · Computer Science 2025-01-22 Chao Zhang , Haoxin Zhang , Shiwei Wu , Di Wu , Tong Xu , Xiangyu Zhao , Yan Gao , Yao Hu , Enhong Chen

Medical foundation models (MFMs) aim to learn universal representations from multimodal medical images that can generalize effectively to diverse downstream clinical tasks. However, most existing MFMs suffer from information ambiguity that…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Yihang Liu , Longzhen Yang , Jiaxiong Yang , Ying Wen , Lianghua He , Heng Tao Shen

The burgeoning presence of Large Language Models (LLM) is propelling the development of personalized recommender systems. Most existing LLM-based methods fail to sufficiently explore the multi-view graph structure correlations inherent in…

Information Retrieval · Computer Science 2025-07-30 Xu Guo , Tong Zhang , Yuanzhi Wang , Chenxu Wang , Fuyun Wang , Xudong Wang , Xiaoya Zhang , Xin Liu , Zhen Cui

Molecular optimization is a crucial yet complex and time-intensive process that often acts as a bottleneck for drug development. Traditional methods rely heavily on trial and error, making multi-objective optimization both time-consuming…

Biomolecules · Quantitative Biology 2025-03-06 Jiajun Yu , Yizhen Zheng , Huan Yee Koh , Shirui Pan , Tianyue Wang , Haishuai Wang
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