Factor Graph-based Interpretable Neural Networks

Comprehensible neural network explanations are foundations for a better understanding of decisions, especially when the input data are infused with malicious perturbations. Existing solutions generally mitigate the impact of perturbations through adversarial training, yet they fail to generate comprehensible explanations under unknown perturbations. To address this challenge, we propose AGAIN, a fActor GrAph-based Interpretable neural Network, which is capable of generating comprehensible explanations under unknown perturbations. Instead of retraining like previous solutions, the proposed AGAIN directly integrates logical rules by which logical errors in explanations are identified and rectified during inference. Specifically, we construct the factor graph to express logical rules between explanations and categories. By treating logical rules as exogenous knowledge, AGAIN can identify incomprehensible explanations that violate real-world logic. Furthermore, we propose an interactive intervention switch strategy rectifying explanations based on the logical guidance from the factor graph without learning perturbations, which overcomes the inherent limitation of adversarial training-based methods in defending only against known perturbations. Additionally, we theoretically demonstrate the effectiveness of employing factor graph by proving that the comprehensibility of explanations is strongly correlated with factor graph. Extensive experiments are conducted on three datasets and experimental results illustrate the superior performance of AGAIN compared to state-of-the-art baselines.

Biologically Plausible Brain Graph Transformer

State-of-the-art brain graph analysis methods fail to fully encode the small-world architecture of brain graphs (accompanied by the presence of hubs and functional modules), and therefore lack biological plausibility to some extent. This limitation hinders their ability to accurately represent the brain's structural and functional properties, thereby restricting the effectiveness of machine learning models in tasks such as brain disorder detection. In this work, we propose a novel Biologically Plausible Brain Graph Transformer (BioBGT) that encodes the small-world architecture inherent in brain graphs. Specifically, we present a network entanglement-based node importance encoding technique that captures the structural importance of nodes in global information propagation during brain graph communication, highlighting the biological properties of the brain structure. Furthermore, we introduce a functional module-aware self-attention to preserve the functional segregation and integration characteristics of brain graphs in the learned representations. Experimental results on three benchmark datasets demonstrate that BioBGT outperforms state-of-the-art models, enhancing biologically plausible brain graph representations for various brain graph analytical tasks

Large Language Models for Bioinformatics

With the rapid advancements in large language model (LLM) technology and the emergence of bioinformatics-specific language models (BioLMs), there is a growing need for a comprehensive analysis of the current landscape, computational characteristics, and diverse applications. This survey aims to address this need by providing a thorough review of BioLMs, focusing on their evolution, classification, and distinguishing features, alongside a detailed examination of training methodologies, datasets, and evaluation frameworks. We explore the wide-ranging applications of BioLMs in critical areas such as disease diagnosis, drug discovery, and vaccine development, highlighting their impact and transformative potential in bioinformatics. We identify key challenges and limitations inherent in BioLMs, including data privacy and security concerns, interpretability issues, biases in training data and model outputs, and domain adaptation complexities. Finally, we highlight emerging trends and future directions, offering valuable insights to guide researchers and clinicians toward advancing BioLMs for increasingly sophisticated biological and clinical applications.

Long-range Brain Graph Transformer

Understanding communication and information processing among brain regions of interest (ROIs) is highly dependent on long-range connectivity, which plays a crucial role in facilitating diverse functional neural integration across the entire brain. However, previous studies generally focused on the short-range dependencies within brain networks while neglecting the long-range dependencies, limiting an integrated understanding of brain-wide communication. To address this limitation, we propose Adaptive Long-range aware TransformER (ALTER), a brain graph transformer to capture long-range dependencies between brain ROIs utilizing biased random walk. Specifically, we present a novel long-range aware strategy to explicitly capture long-range dependencies between brain ROIs. By guiding the walker towards the next hop with higher correlation value, our strategy simulates the real-world brain-wide communication. Furthermore, by employing the transformer framework, ALERT adaptively integrates both short- and long-range dependencies between brain ROIs, enabling an integrated understanding of multi-level communication across the entire brain. Extensive experiments on ABIDE and ADNI datasets demonstrate that ALTER consistently outperforms generalized state-of-the-art graph learning methods (including SAN, Graphormer, GraphTrans, and LRGNN) and other graph learning based brain network analysis methods (including FBNETGEN, BrainNetGNN, BrainGNN, and BrainNETTF) in neurological disease diagnosis. Cases of long-range dependencies are also presented to further illustrate the effectiveness of ALTER. The implementation is available at \url{https://github.com/yushuowiki/ALTER}.

Graph2text or Graph2token: A Perspective of Large Language Models for Graph Learning

Graphs are data structures used to represent irregular networks and are prevalent in numerous real-world applications. Previous methods directly model graph structures and achieve significant success. However, these methods encounter bottlenecks due to the inherent irregularity of graphs. An innovative solution is converting graphs into textual representations, thereby harnessing the powerful capabilities of Large Language Models (LLMs) to process and comprehend graphs. In this paper, we present a comprehensive review of methodologies for applying LLMs to graphs, termed LLM4graph. The core of LLM4graph lies in transforming graphs into texts for LLMs to understand and analyze. Thus, we propose a novel taxonomy of LLM4graph methods in the view of the transformation. Specifically, existing methods can be divided into two paradigms: Graph2text and Graph2token, which transform graphs into texts or tokens as the input of LLMs, respectively. We point out four challenges during the transformation to systematically present existing methods in a problem-oriented perspective. For practical concerns, we provide a guideline for researchers on selecting appropriate models and LLMs for different graphs and hardware constraints. We also identify five future research directions for LLM4graph.

Graph Transformers: A Survey

Graph transformers are a recent advancement in machine learning, offering a new class of neural network models for graph-structured data. The synergy between transformers and graph learning demonstrates strong performance and versatility across various graph-related tasks. This survey provides an in-depth review of recent progress and challenges in graph transformer research. We begin with foundational concepts of graphs and transformers. We then explore design perspectives of graph transformers, focusing on how they integrate graph inductive biases and graph attention mechanisms into the transformer architecture. Furthermore, we propose a taxonomy classifying graph transformers based on depth, scalability, and pre-training strategies, summarizing key principles for effective development of graph transformer models. Beyond technical analysis, we discuss the applications of graph transformer models for node-level, edge-level, and graph-level tasks, exploring their potential in other application scenarios as well. Finally, we identify remaining challenges in the field, such as scalability and efficiency, generalization and robustness, interpretability and explainability, dynamic and complex graphs, as well as data quality and diversity, charting future directions for graph transformer research.

Federated Knowledge Transfer Fine-tuning Large Server Model with Resource-Constrained IoT Clients

The training of large models, involving fine-tuning, faces the scarcity of high-quality data. Compared to the solutions based on centralized data centers, updating large models in the Internet of Things (IoT) faces challenges in coordinating knowledge from distributed clients by using their private and heterogeneous data. To tackle such a challenge, we propose KOALA (Federated Knowledge Transfer Fine-tuning Large Server Model with Resource-Constrained IoT Clients) to impel the training of large models in IoT. Since the resources obtained by IoT clients are limited and restricted, it is infeasible to locally execute large models and also update them in a privacy-preserving manner. Therefore, we leverage federated learning and knowledge distillation to update large models through collaboration with their small models, which can run locally at IoT clients to process their private data separately and enable large-small model knowledge transfer through iterative learning between the server and clients. Moreover, to support clients with similar or different computing capacities, KOALA is designed with two kinds of large-small model joint learning modes, namely to be homogeneous or heterogeneous. Experimental results demonstrate that compared to the conventional approach, our method can not only achieve similar training performance but also significantly reduce the need for local storage and computing power resources.

Personalized Music Recommendation with a Heterogeneity-aware Deep Bayesian Network

Music recommender systems are crucial in music streaming platforms, providing users with music they would enjoy. Recent studies have shown that user emotions can affect users' music mood preferences. However, existing emotion-aware music recommender systems (EMRSs) explicitly or implicitly assume that users' actual emotional states expressed by an identical emotion word are homogeneous. They also assume that users' music mood preferences are homogeneous under an identical emotional state. In this article, we propose four types of heterogeneity that an EMRS should consider: emotion heterogeneity across users, emotion heterogeneity within a user, music mood preference heterogeneity across users, and music mood preference heterogeneity within a user. We further propose a Heterogeneity-aware Deep Bayesian Network (HDBN) to model these assumptions. The HDBN mimics a user's decision process to choose music with four components: personalized prior user emotion distribution modeling, posterior user emotion distribution modeling, user grouping, and Bayesian neural network-based music mood preference prediction. We constructed a large-scale dataset called EmoMusicLJ to validate our method. Extensive experiments demonstrate that our method significantly outperforms baseline approaches on widely used HR and NDCG recommendation metrics. Ablation experiments and case studies further validate the effectiveness of our HDBN. The source code is available at https://github.com/jingrk/HDBN.

Higher-order Structure Based Anomaly Detection on Attributed Networks

Anomaly detection (such as telecom fraud detection and medical image detection) has attracted the increasing attention of people. The complex interaction between multiple entities widely exists in the network, which can reflect specific human behavior patterns. Such patterns can be modeled by higher-order network structures, thus benefiting anomaly detection on attributed networks. However, due to the lack of an effective mechanism in most existing graph learning methods, these complex interaction patterns fail to be applied in detecting anomalies, hindering the progress of anomaly detection to some extent. In order to address the aforementioned issue, we present a higher-order structure based anomaly detection (GUIDE) method. We exploit attribute autoencoder and structure autoencoder to reconstruct node attributes and higher-order structures, respectively. Moreover, we design a graph attention layer to evaluate the significance of neighbors to nodes through their higher-order structure differences. Finally, we leverage node attribute and higher-order structure reconstruction errors to find anomalies. Extensive experiments on five real-world datasets (i.e., ACM, Citation, Cora, DBLP, and Pubmed) are implemented to verify the effectiveness of GUIDE. Experimental results in terms of ROC-AUC, PR-AUC, and Recall@K show that GUIDE significantly outperforms the state-of-art methods.

Collaborative Team Recognition: A Core Plus Extension Structure

Scientific collaboration is a significant behavior in knowledge creation and idea exchange. To tackle large and complex research questions, a trend of team formation has been observed in recent decades. In this study, we focus on recognizing collaborative teams and exploring inner patterns using scholarly big graph data. We propose a collaborative team recognition (CORE) model with a "core + extension" team structure to recognize collaborative teams in large academic networks. In CORE, we combine an effective evaluation index called the collaboration intensity index with a series of structural features to recognize collaborative teams in which members are in close collaboration relationships. Then, CORE is used to guide the core team members to their extension members. CORE can also serve as the foundation for team-based research. The simulation results indicate that CORE reveals inner patterns of scientific collaboration: senior scholars have broad collaborative relationships and fixed collaboration patterns, which are the underlying mechanisms of team assembly. The experimental results demonstrate that CORE is promising compared with state-of-the-art methods.