相关论文: Towards Unified AI Drug Discovery with Multiple Kn…

Accurate prediction of Drug-Target Affinity (DTA) is crucial for reducing experimental costs and accelerating early screening in computational drug discovery. While sequence-based deep learning methods avoid reliance on costly 3D…

Multimodal foundation models have demonstrated impressive capabilities across diverse tasks. However, their potential as plug-and-play solutions for missing modality reconstruction remains underexplored. To bridge this gap, we identify and…

Recent breakthroughs in generative modeling have demonstrated remarkable capabilities in molecular generation, yet the integration of comprehensive biomedical knowledge into these models has remained an untapped frontier. In this study, we…

Recently, the embedding-based recommendation models (e.g., matrix factorization and deep models) have been prevalent in both academia and industry due to their effectiveness and flexibility. However, they also have such intrinsic…

The rise in loosely-structured data available through text, images, and other modalities has called for new ways of querying them. Multimedia Information Retrieval has filled this gap and has witnessed exciting progress in recent years.…

Feature matching is a cornerstone task in computer vision, essential for applications such as image retrieval, stereo matching, 3D reconstruction, and SLAM. This survey comprehensively reviews modality-based feature matching, exploring…

Existing anomaly detection (AD) methods often treat the modality and class as independent factors. Although this paradigm has enriched the development of AD research branches and produced many specialized models, it has also led to…

The clinical trial is a pivotal and costly process, often spanning multiple years and requiring substantial financial resources. Therefore, the development of clinical trial outcome prediction models aims to exclude drugs likely to fail and…

Precision medicine is a promising approach for accessible disease diagnosis and personalized intervention planning in high-mortality diseases such as coronary artery disease (CAD), drug-resistant epilepsy (DRE), and chronic illnesses like…

The accurate screening of candidate drug ligands against target proteins through computational approaches is of prime interest to drug development efforts. Such virtual screening depends in part on methods to predict the binding affinity…

Multimodal learning has become a pivotal approach in developing robust learning models with applications spanning multimedia, robotics, large language models, and healthcare. The efficiency of multimodal systems is a critical concern, given…

Multimodal clinical prediction faces three challenges: multiple foundation models (FMs) with complementary strengths per modality, pervasive missing modalities at training and test time, and sample-specific variation in modality…

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing…

This paper explores the tasks of leveraging auxiliary modalities which are only available at training to enhance multimodal representation learning through cross-modal Knowledge Distillation (KD). The widely adopted mutual information…

Drug discovery remains a slow and expensive process that involves many steps, from detecting the target structure to obtaining approval from the Food and Drug Administration (FDA), and is often riddled with safety concerns. Accurate…

Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

Combinatorial optimization algorithm is essential in computer-aided drug design by progressively exploring chemical space to design lead compounds with high affinity to target protein. However current methods face inherent challenges in…

Multimodal learning that integrates genomics and histopathology has shown strong potential in cancer diagnosis, yet its clinical translation is hindered by the limited availability of paired histology-genomics data. Knowledge distillation…

With the exponential surge in diverse multi-modal data, traditional uni-modal retrieval methods struggle to meet the needs of users seeking access to data across various modalities. To address this, cross-modal retrieval has emerged,…