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

Multimodal Fusion Learning (MFL), leveraging disparate data from various imaging modalities (e.g., MRI, CT, SPECT), has shown great potential for addressing medical problems such as skin cancer and brain tumor prediction. However, existing…

Molecular evolution is the process of simulating the natural evolution of molecules in chemical space to explore potential molecular structures and properties. The relationships between similar molecules are often described through…

Prediction of solubility has been a complex and challenging physiochemical problem that has tremendous implications in the chemical and pharmaceutical industry. Recent advancements in machine learning methods have provided great scope for…

Molecular dynamic simulations are important in computational physics, chemistry, material, and biology. Machine learning-based methods have shown strong abilities in predicting molecular energy and properties and are much faster than DFT…

The precise prediction of molecular properties is essential for advancements in drug development, particularly in virtual screening and compound optimization. The recent introduction of numerous deep learning-based methods has shown…

Integrating the different data modalities of cancer patients can significantly improve the predictive performance of patient survival. However, most existing methods ignore the simultaneous utilization of rich semantic features at different…

Existing machine learning methods for molecular (e.g., gene) embeddings are restricted to specific tasks or data modalities, limiting their effectiveness within narrow domains. As a result, they fail to capture the full breadth of gene…

Drug combinations offer therapeutic benefits but also carry the risk of adverse drug-drug interactions (DDIs), especially under complex molecular structures. Accurate DDI event prediction requires capturing fine-grained inter-drug…

While graph neural networks have shown remarkable success in molecular property prediction, current approaches like the Equivariant Subgraph Aggregation Networks (ESAN) treat molecules as bags of independent substructures, overlooking…

Automated computational analysis of the vast chemical space is critical for numerous fields of research such as drug discovery and material science. Representation learning techniques have recently been employed with the primary objective…

Molecular "fingerprints" encoding structural information are the workhorse of cheminformatics and machine learning in drug discovery applications. However, fingerprint representations necessarily emphasize particular aspects of the…

Multimodal learning, which integrates data from diverse sensory modes, plays a pivotal role in artificial intelligence. However, existing multimodal learning methods often struggle with challenges where some modalities appear more dominant…

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…

Emotions play a crucial role in human behavior and decision-making, making emotion recognition a key area of interest in human-computer interaction (HCI). This study addresses the challenges of emotion recognition by integrating facial…

Recent advances in machine learning have enabled generative models for both optimization and de novo generation of drug candidates with desired properties. Previous generative models have focused on producing SMILES strings or 2D molecular…

Polarimetric Synthetic Aperture Radar (PolSAR) covariance matrices and their extracted multi-features - such as scattering angle, entropy, texture, and boundary descriptors - provide complementary and physically interpretable information…

We present an effective method for fusing visual-and-language representations for several question answering tasks including visual question answering and visual entailment. In contrast to prior works that concatenate unimodal…

Multimodal deep learning harnesses diverse imaging modalities, such as MRI sequences, to enhance diagnostic accuracy in medical imaging. A key challenge is determining the optimal timing for integrating these modalities-specifically,…

Multi-modality image fusion (MMIF) combines complementary information from different image modalities to provide a comprehensive and objective interpretation of scenes. However, existing fusion methods cannot resist different weather…

Accurate prediction of the physicochemical properties of molecular mixtures using graph neural networks remains a significant challenge, as it requires simultaneous embedding of intramolecular interactions while accounting for mixture…