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

Transformers, adapted from natural language processing, are emerging as a leading approach for graph representation learning. Contemporary graph transformers often treat nodes or edges as separate tokens. This approach leads to…

Molecular property prediction has attracted substantial attention recently. Accurate prediction of drug properties relies heavily on effective molecular representations. The structures of chemical compounds are commonly represented as…

Foundation models (FMs) are large-scale deep learning models trained on massive datasets, often using self-supervised learning techniques. These models serve as a versatile base for a wide range of downstream tasks, including those in…

Achieving pixel-level registration between SAR and optical images remains a challenging task due to their fundamentally different imaging mechanisms and visual characteristics. Although deep learning has achieved great success in many…

Existing facial expression recognition (FER) methods typically fine-tune a pre-trained visual encoder using discrete labels. However, this form of supervision limits to specify the emotional concept of different facial expressions. In this…

Micro-Expression Recognition has become challenging, as it is extremely difficult to extract the subtle facial changes of micro-expressions. Recently, several approaches proposed several expression-shared features algorithms for…

This study introduces a novel approach, combining substruct counting, $k$-mers, and Daylight-like fingerprints, to expand the representation of chemical structures in SMILES strings. The integrated method generates comprehensive molecular…

Motivated by the limitations of current spectral analysis methods-such as reliance on single-modality data, limited generalizability, and poor interpretability-we propose a novel multi-modal spectral analysis framework that integrates prior…

Systematic development of accurate density functionals has been a decades-long challenge for scientists. Despite the emerging application of machine learning (ML) in approximating functionals, the resulting ML functionals usually contain…

Facial expression recognition (FER) is a crucial task in computer vision with wide range of applications including human computer interaction, surveillance, and assistive technologies. However, challenges such as occlusion, expression…

Facial Expression Recognition (FER) is vital for understanding interpersonal communication. However, existing classification methods often face challenges such as vulnerability to noise, imbalanced datasets, overfitting, and generalization…

Factorization machines (FM) are a popular model class to learn pairwise interactions by a low-rank approximation. Different from existing FM-based approaches which use a fixed rank for all features, this paper proposes a Rank-Aware FM…

Although saliency maps can highlight important regions to explain the reasoning behind image classification in artificial intelligence (AI), the meaning of these regions is left to the user's interpretation. In contrast, conceptbased…

Atomic force microscopy (AFM or SPM) imaging is one of the best matches with machine learning (ML) analysis among microscopy techniques. The digital format of AFM images allows for direct utilization in ML algorithms without the need for…

Atomized chemical knowledge, such as functional group information of molecules and reactions, plays a pivotal intermediate role in the reasoning process that connects molecular structures with their properties and reactivities. While large…

Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

Class-Incremental Learning (CIL) aims to learn new classes over time without forgetting previously acquired knowledge. The emergence of foundation models (FM) pretrained on large datasets presents new opportunities for CIL by offering rich,…

This position paper explores the rapid development of Foundation Models (FMs) in AI and their implications for intelligence and reasoning. It examines the characteristics of FMs, including their training on vast datasets and use of…

Facial micro-expression recognition (MER) is a challenging problem, due to transient and subtle micro-expression (ME) actions. Most existing methods depend on hand-crafted features, key frames like onset, apex, and offset frames, or deep…

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs…