相关论文: Multimodal Fusion with Relational Learning for Mol…

Molecule representation learning is crucial for understanding and predicting molecular properties. However, conventional atom-centric models, which treat chemical bonds merely as pairwise interactions, often overlook complex bond-level…

Unsupervised pre-training has shown great success in skeleton-based action understanding recently. Existing works typically train separate modality-specific models, then integrate the multi-modal information for action understanding by a…

Large-scale pre-trained Vision-Language Models (VLMs) have become essential for transfer learning across diverse tasks. However, adapting these models with limited few-shot data often leads to overfitting, diminishing their performance on…

Molecular property prediction (MPP) is a fundamental but challenging task in the computer-aided drug discovery process. More and more recent works employ different graph-based models for MPP, which have made considerable progress in…

Multi-task learning for molecular property prediction is becoming increasingly important in drug discovery. However, in contrast to other domains, the performance of multi-task learning in drug discovery is still not satisfying as the…

Federated learning (FL) has obtained tremendous progress in providing collaborative training solutions for distributed data silos with privacy guarantees. However, few existing works explore a more realistic scenario where the clients hold…

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…

Multimodal learning combines multiple data modalities, broadening the types and complexity of data our models can utilize: for example, from plain text to image-caption pairs. Most multimodal learning algorithms focus on modeling simple…

Recent advancements in multi-modal pre-training for 3D point clouds have demonstrated promising results by aligning heterogeneous features across 3D shapes and their corresponding 2D images and language descriptions. However, current…

The recent success of graph neural networks has significantly boosted molecular property prediction, advancing activities such as drug discovery. The existing deep neural network methods usually require large training dataset for each…

Artificial intelligence is transforming computational materials science, improving the prediction of material properties, and accelerating the discovery of novel materials. Recently, publicly available material data repositories have grown…

Machine learning (ML) has seen promising developments in materials science, yet its efficacy largely depends on detailed crystal structural data, which are often complex and hard to obtain, limiting their applicability in real-world…

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…

Recently, multimodal deep learning, which integrates histopathology slides and molecular biomarkers, has achieved a promising performance in glioma grading. Despite great progress, due to the intra-modality complexity and inter-modality…

This paper introduces an innovative multi-modal fusion deep learning approach to overcome the drawbacks of traditional single-modal recognition techniques. These drawbacks include incomplete information and limited diagnostic accuracy.…

In this study, we explore the synergy of deep learning and financial market applications, focusing on pair trading. This market-neutral strategy is integral to quantitative finance and is apt for advanced deep-learning techniques. A pivotal…

Molecular representation learning is pivotal in predicting molecular properties and advancing drug design. Traditional methodologies, which predominantly rely on homogeneous graph encoding, are limited by their inability to integrate…

Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional…

Protein representation learning is critical in various tasks in biology, such as drug design and protein structure or function prediction, which has primarily benefited from protein language models and graph neural networks. These models…

Molecular property prediction is a key component of AI-driven drug discovery and molecular characterization learning. Despite recent advances, existing methods still face challenges such as limited ability to generalize, and inadequate…