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A central task in computational drug discovery is to construct models from known active molecules to find further promising molecules for subsequent screening. However, typically only very few active molecules are known. Therefore, few-shot…

Molecular optimization is a key challenge in drug discovery and material science domain, involving the design of molecules with desired properties. Existing methods focus predominantly on single-property optimization, necessitating…

Machine Learning · Computer Science 2024-09-13 Aye Phyu Phyu Aung , Jay Chaudhary , Ji Wei Yoon , Senthilnath Jayavelu

Multimodal sentiment analysis has gained significant attention due to the proliferation of multimodal content on social media. However, existing studies in this area rely heavily on large-scale supervised data, which is time-consuming and…

Computation and Language · Computer Science 2023-08-02 Xiaocui Yang , Shi Feng , Daling Wang , Pengfei Hong , Soujanya Poria

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

Molecular language modeling tasks such as molecule captioning have been recognized for their potential to further understand molecular properties that can aid drug discovery or material synthesis based on chemical reactions. Unlike the…

Machine Learning · Computer Science 2025-03-12 Sangyeup Kim , Nayeon Kim , Yinhua Piao , Sun Kim

This study introduces a pioneering methodology for human action recognition by harnessing deep neural network techniques and adaptive fusion strategies across multiple modalities, including RGB, optical flows, audio, and depth information.…

Computer Vision and Pattern Recognition · Computer Science 2025-12-05 Novanto Yudistira

Large language models have emerged as transformative tools in molecular science, demonstrating remarkable potential in molecular property prediction and de novo molecular design. However, their application to spectroscopy remains notably…

Machine Learning · Computer Science 2026-03-24 Shuaike Shen , Jiaqing Xie , Zhuo Yang , Antong Zhang , Shuzhou Sun , Ben Gao , Tianfan Fu , Biqing Qi , Yuqiang Li

Medical image segmentation has witnessed significant advancements with the emergence of deep learning. However, the reliance of most neural network models on a substantial amount of annotated data remains a challenge for medical image…

Computer Vision and Pattern Recognition · Computer Science 2024-07-30 Xiaoxiao Wu , Xiaowei Chen , Zhenguo Gao , Shulei Qu , Yuanyuan Qiu

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

Metric-based meta-learning techniques have successfully been applied to few-shot classification problems. In this paper, we propose to leverage cross-modal information to enhance metric-based few-shot learning methods. Visual and semantic…

Machine Learning · Computer Science 2020-02-19 Chen Xing , Negar Rostamzadeh , Boris N. Oreshkin , Pedro O. Pinheiro

With the advancement of artificial intelligence and computer vision technologies, multimodal emotion recognition has become a prominent research topic. However, existing methods face challenges such as heterogeneous data fusion and the…

Computer Vision and Pattern Recognition · Computer Science 2025-02-13 Wei Dai , Dequan Zheng , Feng Yu , Yanrong Zhang , Yaohui Hou

Choosing a suitable deep learning architecture for multimodal data fusion is a challenging task, as it requires the effective integration and processing of diverse data types, each with distinct structures and characteristics. In this…

Machine Learning · Computer Science 2025-01-22 Abdelmadjid Chergui , Grigor Bezirganyan , Sana Sellami , Laure Berti-Équille , Sébastien Fournier

Effective representation of molecules is a crucial factor affecting the performance of artificial intelligence models. This study introduces a flexible, fragment-based, multiscale molecular representation framework called t-SMILES…

Machine Learning · Computer Science 2024-05-22 Juan-Ni Wu , Tong Wang , Yue Chen , Li-Juan Tang , Hai-Long Wu , Ru-Qin Yu

Human emotion can be presented in different modes i.e., audio, video, and text. However, the contribution of each mode in exhibiting each emotion is not uniform. Furthermore, the availability of complete mode-specific details may not always…

Artificial Intelligence · Computer Science 2024-02-20 Naresh Kumar Devulapally , Sidharth Anand , Sreyasee Das Bhattacharjee , Junsong Yuan

People perceive the world with different senses, such as sight, hearing, smell, and touch. Processing and fusing information from multiple modalities enables Artificial Intelligence to understand the world around us more easily. However,…

Computer Vision and Pattern Recognition · Computer Science 2023-07-06 Zecheng Liu , Jia Wei , Rui Li , Jianlong Zhou

Deep generative models have achieved tremendous success in designing novel drug molecules in recent years. A new thread of works have shown the great potential in advancing the specificity and success rate of in silico drug design by…

Machine Learning · Computer Science 2025-07-14 Xingang Peng , Shitong Luo , Jiaqi Guan , Qi Xie , Jian Peng , Jianzhu Ma

Survival prediction is a major concern for cancer management. Deep survival models based on deep learning have been widely adopted to perform end-to-end survival prediction from medical images. Recent deep survival models achieved promising…

Image and Video Processing · Electrical Eng. & Systems 2024-10-17 Mingyuan Meng , Bingxin Gu , Michael Fulham , Shaoli Song , Dagan Feng , Lei Bi , Jinman Kim

The three-dimensional shape and conformation of small-molecule ligands are critical for biomolecular recognition, yet encoding 3D geometry has not improved ligand-based virtual screening approaches. We describe an end-to-end deep learning…

Machine Learning · Computer Science 2020-12-01 Kangway V. Chuang , Michael J. Keiser

Benefiting from the powerful expressive capability of graphs, graph-based approaches have achieved impressive performance in various biomedical applications. Most existing methods tend to define the adjacency matrix among samples manually…

Machine Learning · Computer Science 2021-07-02 Shuai Zheng , Zhenfeng Zhu , Zhizhe Liu , Zhenyu Guo , Yang Liu , Yao Zhao

Real-world problems are often dependent on multiple data modalities, making multimodal fusion essential for leveraging diverse information sources. In high-stakes domains, such as in healthcare, understanding how each modality contributes…

Neural and Evolutionary Computing · Computer Science 2025-05-19 Mafalda Malafaia , Thalea Schlender , Tanja Alderliesten , Peter A. N. Bosman