相关论文: MOL-Mamba: Enhancing Molecular Representation with…

Graph Neural Networks (GNNs) have shown remarkable success in molecular tasks, yet their interpretability remains challenging. Traditional model-level explanation methods like XGNN and GNNInterpreter often fail to identify valid…

EEG-based emotion recognition struggles with capturing multi-scale spatiotemporal dynamics and ensuring computational efficiency for real-time applications. Existing methods often oversimplify temporal granularity and spatial hierarchies,…

Applying pre-trained models to assist point cloud understanding has recently become a mainstream paradigm in 3D perception. However, existing application strategies are straightforward, utilizing only the final output of the pre-trained…

Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such, as Support Vector Machines (SVM) and…

As one of the most representative DL techniques, Transformer architecture has empowered numerous advanced models, especially the large language models (LLMs) that comprise billions of parameters, becoming a cornerstone in deep learning.…

Cross-modality fusing complementary information from different modalities effectively improves object detection performance, making it more useful and robust for a wider range of applications. Existing fusion strategies combine different…

Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex…

Neural networks leverage robust internal representations in order to generalise. Learning them is difficult, and often requires a large training set that covers the data distribution densely. We study a common setting where our task is not…

As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular…

Accurate medical image segmentation demands the integration of multi-scale information, spanning from local features to global dependencies. However, it is challenging for existing methods to model long-range global information, where…

Leveraging domain knowledge including fingerprints and functional groups in molecular representation learning is crucial for chemical property prediction and drug discovery. When modeling the relation between graph structure and molecular…

Self-supervised pretraining is promising for large-scale neuroimaging, yet the impact of region-aware masking and hybrid sequence modeling remains underexplored. In this work, we introduce Rhamba, a region-aware pretraining framework that…

Protein representation learning is critical for numerous biological tasks. Recently, large transformer-based protein language models (pLMs) pretrained on large scale protein sequences have demonstrated significant success in sequence-based…

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…

Point cloud registration (PCR) is a fundamental task in 3D computer vision and robotics. Most learning-based PCR methods rely on Transformer architectures, which suffer from quadratic computational complexity. This limitation restricts the…

Predicting whether a molecule can cross the blood-brain barrier (BBB) is a key step in early-stage neuro-pharmaceutical design, directly influencing the efficiency and success rate of drug development. Traditional methods based on…

Mimicking the real interaction trajectory in the inference of the world model has been shown to improve the sample efficiency of model-based reinforcement learning (MBRL) algorithms. Many methods directly use known state sequences for…

Molecular property prediction refers to the task of labeling molecules with some biochemical properties, playing a pivotal role in the drug discovery and design process. Recently, with the advancement of machine learning, deep…

In this paper, we propose a self-prior guided Mamba-UNet network (SMamba-UNet) for medical image super-resolution. Existing methods are primarily based on convolutional neural networks (CNNs) or Transformers. CNNs-based methods fail to…

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…