30 accepted papers
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 transformations such as adding, deleting, and modifying atoms and ch
Diffusion-based virtual try-on methods rely on vast high-quality garment-person pairs, which are scarce in practice due to the high cost of data collection and preprocessing, limiting their performance in real-world scenarios.To overcome this bottleneck, we propose Cycle-Consistent Virtual Try-On (C
Molecular representation learning aims to learn vector embeddings that capture molecular structure and geometry, thereby enabling property prediction and downstream scientific applications. In many AI for science tasks, labeled data are expensive to obtain and therefore limited in availability. Unde
The prediction of compound–protein interactions (CPIs) is crucial for drug discovery. Most existing CPI prediction models rely on protein sequence information as input. However, in early-stage drug development, particularly in phenotype-driven studies or compound-response analyses, proteins are oft
Graph generation aims to sample discrete node and edge attributes while satisfying coupled structural constraints. Diffusion models for graphs often adopt largely factorized forward-noising, and many flow-matching methods start from factorized reference noise and coordinate-wise interpolation, so no…
In an era where misinformation spreads freely, fact-checking (FC) plays a crucial role in verifying claims and promoting reliable information. While automated fact-checking (AFC) has advanced significantly, existing systems remain vulnerable to adversarial attacks that manipulate or generate claims,
Antibody design remains a critical challenge in therapeutic and diagnostic development, particularly for complex antigens with diverse binding interfaces. Current computational methods face two main limitations: (1) capturing geometric features while preserving symmetries, and (2) generalizing novel
Recommender systems in various applications often encounter the challenge of cold-start, which refers to how to provide recommendations for completely new users. Cross-domain recommendation offers a solution to address this cold-start issue by leveraging user interaction information from other domai…
Social event detection involves identifying and categorizing important events from social media, which relies on labeled data, but annotation is costly and labor-intensive. To address this problem, we propose Augmentation framework for Social Event Detection (SED-Aug), a plug-and-play dual augmentat…
Text-attributed graph (TAG) provides a text description for each graph node, and few- and zero-shot node classification on TAGs have many applications in fields such as academia and social networks. Existing work utilizes various graph-based augmentation techniques to train the node and text embeddi
Traffic data imputation is fundamentally important to support various applications in intelligent transportation systems such as traffic flow prediction. However, existing time-to-space sequential methods often fail to effectively extract features in block-wise missing data scenarios. Meanwhile, the
Social event detection (SED) is the task of identifying, categorizing, and tracking events from social data sources such as social media posts, news articles, and online discussions. Existing state-of-the-art (SOTA) SED models predominantly rely on graph neural networks (GNNs), which involve complex…
Deep learning-based drug response prediction (DRP) methods can accelerate the drug discovery process and reduce research and development costs. Despite their high accuracy, generating regression-aware representations remains challenging for mainstream approaches. For instance, the representations ar…
Exploring the complex structure of the human brain is crucial for understanding its functionality and diagnosing brain disorders. Thanks to advancements in neuroimaging technology, a novel approach has emerged that involves modeling the human brain as a graph-structured pattern, with different brain…
LiDAR is a key sensor for accurately sensing of the environment in autonomous driving. While existing 3D object detection methods generally rely on data augmentation and feature fusion to improve performance, the challenge of dealing with sample imbalance is often overlooked. We design a novel 3D de…
Learning-based stereo matching techniques have made significant progress. However existing methods inevitably lose geometrical structure information during the feature channel generation process resulting in edge detail mismatches. In this paper the Motif Channel Attention Stereo Matching Network (M…
Large language models (LLMs) have emerged as valuable tools for enhancing textual features in various text-related tasks. Despite their superiority in capturing the lexical semantics between tokens for text analysis, our preliminary study on two popular LLMs, i.e., ChatGPT and Llama2, showcases that…
Graph masked autoencoders (GMAE) have emerged as a significant advancement in self-supervised pre-training for graph-structured data. Previous GMAE models primarily utilize a straightforward random masking strategy for nodes or edges during training. However, this strategy fails to consider the vary…
Conventional deep learning methods typically employ supervised learning for drug response prediction (DRP). This entails dependence on labeled response data from drugs for model training. However, practical applications in the preclinical drug screening phase demand that DRP models predict responses…
Most existing cross-domain facial expression recognition (FER) works require target domain data to assist the model in analyzing distribution shifts to overcome negative effects. However, it is often hard to obtain expression images of the target domain in practical applications. Moreover, existing…
The anonymity of online networks makes tackling fraud increasingly costly. Thanks to the superiority of graph representation learning, graph-based fraud detection has made significant progress in recent years. However, upgrading fraudulent strategies produces more advanced and difficult scams. One c…
Graph Transformers (GTs) have proved their advantage in graph-level tasks. However, existing GTs still perform unsatisfactorily on the node classification task due to 1) the overwhelming unrelated information obtained from a vast number of irrelevant distant nodes and 2) the quadratic complexity reg…
Graph neural networks have emerged as a leading architecture for many graph-level tasks, such as graph classification and graph generation. As an essential component of the architecture, graph pooling is indispensable for obtaining a holistic graph-level representation of the whole graph. Although…
Graph-level anomaly detection aims to distinguish anomalous graphs in a graph dataset from normal graphs. Anomalous graphs represent a very few but essential patterns in the real world. The anomalous property of a graph may be referable to its anomalous attributes of particular nodes and anomalous s…
Graph Neural Networks (GNNs) have shown promising results on a broad spectrum of applications. Most empirical studies of GNNs directly take the observed graph as input, assuming the observed structure perfectly depicts the accurate and complete relations between nodes. However, graphs in the real-wo…
Recently, Graph Neural Network (GNN) has achieved remarkable progresses in various real-world tasks on graph data, consisting of node features and the adjacent information between different nodes. High-performance GNN models always depend on both rich features and complete edge information in graph.…
As communities represent similar opinions, similar functions, similar purposes, etc., community detection is an important and extremely useful tool in both scientific inquiry and data analytics. However, the classic methods of community detection, such as spectral clustering and statistical inferenc…
While numerous approaches have been developed to embed graphs into either Euclidean or hyperbolic spaces, they do not fully utilize the information available in graphs, or lack the flexibility to model intrinsic complex graph geometry. To utilize the strength of both Euclidean and hyperbolic geometr…
Graph Neural Networks (GNNs) have achieved remarkable performance in the task of the semi-supervised node classification. However, most existing models learn a deterministic classification function, which lack sufficient flexibility to explore better choices in the presence of kinds of imperfect ob…
Social media sites are now becoming very important platforms for product promotion or marketing campaigns. Therefore, there is broad interest in determining ways to guide a site to react more positively to a product with a limited budget. However, the practical significance of the existing studies o…