相关论文: FARM: Enhancing Molecular Representations with Fun…

Facial expression is an essential factor in conveying human emotional states and intentions. Although remarkable advancement has been made in facial expression recognition (FER) task, challenges due to large variations of expression…

Foundation models have emerged as critical components in a variety of artificial intelligence applications, and showcase significant success in natural language processing and several other domains. Meanwhile, the field of graph machine…

Traditional molecule generation methods often rely on sequence- or graph-based representations, which can limit their expressive power or require complex permutation-equivariant architectures. This paper introduces a novel paradigm for…

Modern computational organic chemistry is becoming increasingly data-driven. There remain a large number of important unsolved problems in this area such as product prediction given reactants, drug discovery, and metric-optimized molecule…

In computer vision tasks, features often come from diverse representations, domains (e.g., indoor and outdoor), and modalities (e.g., text, images, and videos). Effectively fusing these features is essential for robust performance,…

Large-scale pre-trained Vision-Language Models (VLMs) have demonstrated strong few-shot learning capabilities. However, these methods typically learn holistic representations where an image's domain-invariant structure is implicitly…

Medical image registration is a fundamental task in medical image analysis, aiming to establish spatial correspondences between paired images. However, existing unsupervised deformable registration methods rely solely on intensity-based…

In the field of chemical structure recognition, the task of converting molecular images into machine-readable data formats such as SMILES string stands as a significant challenge, primarily due to the varied drawing styles and conventions…

Feed-forward neural networks consist of a sequence of layers, in which each layer performs some processing on the information from the previous layer. A downside to this approach is that each layer (or module, as multiple modules can…

Machine Learning (ML) for software engineering (SE) has gained prominence due to its ability to significantly enhance the performance of various SE applications. This progress is largely attributed to the development of generalizable source…

Integrating large language models (LLMs) with knowledge graphs derived from domain-specific data represents an important advancement towards more powerful and factual reasoning. As these models grow more capable, it is crucial to enable…

Synthesis planning and reaction outcome prediction are two fundamental problems in computer-aided organic chemistry for which a variety of data-driven approaches have emerged. Natural language approaches that model each problem as a…

Molecular graphs generally contain subgraphs (known as groups) that are identifiable and significant in composition, functionality, geometry, etc. Flat latent representations (node embeddings or graph embeddings) fail to represent, and…

Large Language Models have advanced clinical text classification, but their opaque predictions remain a critical barrier to practical adoption in research and clinical settings where investigators and physicians need to understand which…

Accurate molecular property prediction is central to drug discovery, catalysis, and process design, yet real-world applications are often limited by small datasets. Molecular foundation models provide a promising direction by learning…

Speech Emotion Recognition (SER) is a fundamental task to predict the emotion label from speech data. Recent works mostly focus on using convolutional neural networks~(CNNs) to learn local attention map on fixed-scale feature representation…

As artificial intelligence (AI) systems become increasingly embedded in our daily life, the ability to recognize and adapt to human emotions is essential for effective human-computer interaction. Facial expression recognition (FER) provides…

Purpose: Recent developments in computational pathology have been driven by advances in Vision Foundation Models, particularly the Segment Anything Model (SAM). This model facilitates nuclei segmentation through two primary methods:…

Recent advancements in artificial intelligence (AI), particularly foundation models (FMs), have revolutionized medical image analysis, demonstrating strong zero- and few-shot performance across diverse medical imaging tasks, from…

Graph representation learning, involving both node features and graph structures, is crucial for real-world applications but often encounters pervasive noise. State-of-the-art methods typically address noise by focusing separately on node…