相关论文: MolFusion: Multimodal Fusion Learning for Molecula…

MolProphecy is a human-in-the-loop (HITL) multi-modal framework designed to integrate chemists' domain knowledge into molecular property prediction models. While molecular pre-trained models have enabled significant gains in predictive…

Molecular representation learning has shown great success in advancing AI-based drug discovery. The core of many recent works is based on the fact that the 3D geometric structure of molecules provides essential information about their…

With the consolidation of deep learning in drug discovery, several novel algorithms for learning molecular representations have been proposed. Despite the interest of the community in developing new methods for learning molecular embeddings…

Recent advances in large language models (LLMs) have led to models that tackle diverse molecular tasks, such as chemical reaction prediction and molecular property prediction. Large-scale molecular instruction-tuning datasets have enabled…

Cancer is one of the leading causes of death worldwide, making the development of rapid, minimally invasive, label-free and scalable diagnostic strategies a major challenge in modern oncology. In this context, spectroscopic liquid biopsy…

Multimodal sentiment analysis, a pivotal task in affective computing, seeks to understand human emotions by integrating cues from language, audio, and visual signals. While many recent approaches leverage complex attention mechanisms and…

Accurately identifying metabolites i.e. small molecules from mass spectrometry data remains a core challenge in metabolomics, with broad applications in drug discovery, environmental analysis, and clinical research. We address the Molecule…

Multimodal information processing has become increasingly important for enhancing image classification performance. However, the intricate and implicit dependencies across different modalities often hinder conventional methods from…

Visible-infrared image fusion is crucial in key applications such as autonomous driving and nighttime surveillance. Its main goal is to integrate multimodal information to produce enhanced images that are better suited for downstream tasks.…

Multi-modal affective computing aims to automatically recognize and interpret human attitudes from diverse data sources such as images and text, thereby enhancing human-computer interaction and emotion understanding. Existing approaches…

Multimodal visual information fusion aims to integrate the multi-sensor data into a single image which contains more complementary information and less redundant features. However the complementary information is hard to extract, especially…

Molecular machine learning has gained popularity with the advancements of geometric deep learning. In parallel, retrieval-augmented generation has become a principled approach commonly used with language models. However, the optimal…

The rapid development of diagnostic technologies in healthcare is leading to higher requirements for physicians to handle and integrate the heterogeneous, yet complementary data that are produced during routine practice. For instance, the…

Deploying depth estimation networks in the real world requires high-level robustness against various adverse conditions to ensure safe and reliable autonomy. For this purpose, many autonomous vehicles employ multi-modal sensor systems,…

Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal…

Molecule-and-text cross-modal representation learning has emerged as a promising direction for enhancing the quality of molecular representation, thereby improving performance in various scientific fields. However, most approaches employ a…

Multimodal recommendation focuses primarily on effectively exploiting both behavioral and multimodal information for the recommendation task. However, most existing models suffer from the following issues when fusing information from two…

Molecular representation learning plays a crucial role in various downstream tasks, such as molecular property prediction and drug design. To accurately represent molecules, Graph Neural Networks (GNNs) and Graph Transformers (GTs) have…

Combining images from multi-modalities is beneficial to explore various information in computer vision, especially in the medical domain. As an essential part of clinical diagnosis, multi-modal brain tumor segmentation aims to delineate the…

Recent data-efficient molecular generation approaches exploit graph grammars to introduce interpretability into the generative models. However, grammar learning therein relies on expert annotation or unreliable heuristics for algorithmic…