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

Multi-modality is widely used in medical imaging, because it can provide multiinformation about a target (tumor, organ or tissue). Segmentation using multimodality consists of fusing multi-information to improve the segmentation. Recently,…

Multi-modal learning plays a crucial role in cancer diagnosis and prognosis. Current deep learning based multi-modal approaches are often limited by their abilities to model the complex correlations between genomics and histology data,…

As a concrete application of multi-view learning, multi-view classification improves the traditional classification methods significantly by integrating various views optimally. Although most of the previous efforts have been demonstrated…

Optical Chemical Structure Recognition (OCSR) plays a pivotal role in modern chemical informatics, enabling the automated conversion of chemical structure images from scientific literature, patents, and educational materials into…

Predicting molecular properties is essential for drug discovery, and computational methods can greatly enhance this process. Molecular graphs have become a focus for representation learning, with Graph Neural Networks (GNNs) widely used.…

Learning joint embedding space for various modalities is of vital importance for multimodal fusion. Mainstream modality fusion approaches fail to achieve this goal, leaving a modality gap which heavily affects cross-modal fusion. In this…

Multimodal medical imaging plays a pivotal role in clinical diagnosis and research, as it combines information from various imaging modalities to provide a more comprehensive understanding of the underlying pathology. Recently, deep…

Multi-modality image fusion aims at fusing modality-specific (complementarity) and modality-shared (correlation) information from multiple source images. To tackle the problem of the neglect of inter-feature relationships, high-frequency…

Molecular property prediction is a critical task in computational drug discovery. While recent advances in Graph Neural Networks (GNNs) and Transformers have shown to be effective and promising, they face the following limitations:…

Molecular representation learning is fundamental for many drug related applications. Most existing molecular pre-training models are limited in using single molecular modality, either SMILES or graph representation. To effectively leverage…

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Molecule pretraining has quickly become the go-to schema to boost the performance of AI-based drug discovery. Naturally, molecules can be represented as 2D topological graphs or 3D geometric point clouds. Although most existing pertaining…

We propose the molecular omics network (MOOMIN) a multimodal graph neural network used by AstraZeneca oncologists to predict the synergy of drug combinations for cancer treatment. Our model learns drug representations at multiple scales…

Enhancing accurate molecular property prediction relies on effective and proficient representation learning. It is crucial to incorporate diverse molecular relationships characterized by multi-similarity (self-similarity and relative…

Human expertise in chemistry and biomedicine relies on contextual molecular understanding, a capability that large language models (LLMs) can extend through fine-grained alignment between molecular structures and text. Recent multimodal…

Image analysis using more than one modality (i.e. multi-modal) has been increasingly applied in the field of biomedical imaging. One of the challenges in performing the multimodal analysis is that there exist multiple schemes for fusing the…

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…

This survey provides a comprehensive overview of recent advances in multimodal alignment and fusion within the field of machine learning, driven by the increasing availability and diversity of data modalities such as text, images, audio,…

With the prospect of automating a number of chemical tasks with high fidelity, chemical language processing models are emerging at a rapid speed. Here, we present a cloud-based real-time platform that allows users to virtually screen…

There are many ways to represent a molecule as input to a machine learning model and each is associated with loss and retention of certain kinds of information. In the interest of preserving three-dimensional spatial information, including…