How Do Large Language Models Understand Graph Patterns? A Benchmark for Graph Pattern Comprehension

Benchmarking the capabilities and limitations of large language models (LLMs) in graph-related tasks is becoming an increasingly popular and crucial area of research. Recent studies have shown that LLMs exhibit a preliminary ability to understand graph structures and node features. However, the potential of LLMs in graph pattern mining remains largely unexplored. This is a key component in fields such as computational chemistry, biology, and social network analysis. To bridge this gap, this work introduces a comprehensive benchmark to assess LLMs' capabilities in graph pattern tasks. We have developed a benchmark that evaluates whether LLMs can understand graph patterns based on either terminological or topological descriptions. Additionally, our benchmark tests the LLMs' capacity to autonomously discover graph patterns from data. The benchmark encompasses both synthetic and real datasets, and a variety of models, with a total of 11 tasks and 7 models. Our experimental framework is designed for easy expansion to accommodate new models and datasets. Our findings reveal that: (1) LLMs have preliminary abilities to understand graph patterns, with O1-mini outperforming in the majority of tasks; (2) Formatting input data to align with the knowledge acquired during pretraining can enhance performance; (3) The strategies employed by LLMs may differ from those used in conventional algorithms.

Revisiting the Graph Reasoning Ability of Large Language Models: Case Studies in Translation, Connectivity and Shortest Path

Large Language Models (LLMs) have achieved great success in various reasoning tasks. In this work, we focus on the graph reasoning ability of LLMs. Although theoretical studies proved that LLMs are capable of handling graph reasoning tasks, empirical evaluations reveal numerous failures. To deepen our understanding on this discrepancy, we revisit the ability of LLMs on three fundamental graph tasks: graph description translation, graph connectivity, and the shortest-path problem. Our findings suggest that LLMs can fail to understand graph structures through text descriptions and exhibit varying performance for all these three fundamental tasks. Meanwhile, we perform a real-world investigation on knowledge graphs and make consistent observations with our findings. The codes and datasets are available.

Can Graph Learning Improve Task Planning?

Task planning is emerging as an important research topic alongside the development of large language models (LLMs). It aims to break down complex user requests into solvable sub-tasks, thereby fulfilling the original requests. In this context, the sub-tasks can be naturally viewed as a graph, where the nodes represent the sub-tasks, and the edges denote the dependencies among them. Consequently, task planning is a decision-making problem that involves selecting a connected path or subgraph within the corresponding graph and invoking it. In this paper, we explore graph learning-based methods for task planning, a direction that is orthogonal to the prevalent focus on prompt design. Our interest in graph learning stems from a theoretical discovery: the biases of attention and auto-regressive loss impede LLMs' ability to effectively navigate decision-making on graphs, which is adeptly addressed by graph neural networks (GNNs). This theoretical insight led us to integrate GNNs with LLMs to enhance overall performance. Extensive experiments demonstrate that GNN-based methods surpass existing solutions even without training, and minimal training can further enhance their performance. Additionally, our approach complements prompt engineering and fine-tuning techniques, with performance further enhanced by improved prompts or a fine-tuned model.

Learning from Graphs with Heterophily: Progress and Future

Graphs are structured data that models complex relations between real-world entities. Heterophilous graphs, where linked nodes are prone to be with different labels or dissimilar features, have recently attracted significant attention and found many applications. Meanwhile, increasing efforts have been made to advance learning from heterophilous graphs. Although there exist surveys on the relevant topic, they focus on heterophilous GNNs, which are only sub-topics of heterophilous graph learning. In this survey, we comprehensively overview existing works on learning from graphs with heterophily.First, we collect over 180 publications and introduce the development of this field. Then, we systematically categorize existing methods based on a hierarchical taxonomy including learning strategies, model architectures and practical applications. Finally, we discuss the primary challenges of existing studies and highlight promising avenues for future research.More publication details and corresponding open-source codes can be accessed and will be continuously updated at our repositories:https://github.com/gongchenghua/Awesome-Survey-Graphs-with-Heterophily.

AdaMedGraph: Adaboosting Graph Neural Networks for Personalized Medicine

Precision medicine tailored to individual patients has gained significant attention in recent times. Machine learning techniques are now employed to process personalized data from various sources, including images, genetics, and assessments. These techniques have demonstrated good outcomes in many clinical prediction tasks. Notably, the approach of constructing graphs by linking similar patients and then applying graph neural networks (GNNs) stands out, because related information from analogous patients are aggregated and considered for prediction. However, selecting the appropriate edge feature to define patient similarity and construct the graph is challenging, given that each patient is depicted by high-dimensional features from diverse sources. Previous studies rely on human expertise to select the edge feature, which is neither scalable nor efficient in pinpointing crucial edge features for complex diseases. In this paper, we propose a novel algorithm named \ours, which can automatically select important features to construct multiple patient similarity graphs, and train GNNs based on these graphs as weak learners in adaptive boosting. \ours{} is evaluated on two real-world medical scenarios and shows superiors performance.

Prioritized Propagation in Graph Neural Networks

Graph neural networks (GNNs) have recently received significant attention. Learning node-wise message propagation in GNNs aims to set personalized propagation steps for different nodes in the graph. Despite the success, existing methods ignore node priority that can be reflected by node influence and heterophily. In this paper, we propose a versatile framework PPro, which can be integrated with most existing GNN models and aim to learn prioritized node-wise message propagation in GNNs. Specifically, the framework consists of three components: a backbone GNN model, a propagation controller to determine the optimal propagation steps for nodes, and a weight controller to compute the priority scores for nodes. We design a mutually enhanced mechanism to compute node priority, optimal propagation step and label prediction. We also propose an alternative optimization strategy to learn the parameters in the backbone GNN model and two parametric controllers. We conduct extensive experiments to compare our framework with other 11 state-of-the-art competitors on 8 benchmark datasets. Experimental results show that our framework can lead to superior performance in terms of propagation strategies and node representations.

Label Propagation for Graph Label Noise

Label noise is a common challenge in large datasets, as it can significantly degrade the generalization ability of deep neural networks. Most existing studies focus on noisy labels in computer vision; however, graph models encompass both node features and graph topology as input, and become more susceptible to label noise through message-passing mechanisms. Recently, only a few works have been proposed to tackle the label noise on graphs. One major limitation is that they assume the graph is homophilous and the labels are smoothly distributed. Nevertheless, real-world graphs may contain varying degrees of heterophily or even be heterophily-dominated, leading to the inadequacy of current methods. In this paper, we study graph label noise in the context of arbitrary heterophily, with the aim of rectifying noisy labels and assigning labels to previously unlabeled nodes. We begin by conducting two empirical analyses to explore the impact of graph homophily on graph label noise. Following observations, we propose a simple yet efficient algorithm, denoted as LP4GLN. Specifically, LP4GLN is an iterative algorithm with three steps: (1) reconstruct the graph to recover the homophily property, (2) utilize label propagation to rectify the noisy labels, (3) select high-confidence labels to retain for the next iteration. By iterating these steps, we obtain a set of correct labels, ultimately achieving high accuracy in the node classification task. The theoretical analysis is also provided to demonstrate its remarkable denoising "effect". Finally, we conduct experiments on 10 benchmark datasets under varying graph heterophily levels and noise types, comparing the performance of LP4GLN with 7 typical baselines. Our results illustrate the superior performance of the proposed LP4GLN.

Learning to Optimize LSM-trees: Towards A Reinforcement Learning based Key-Value Store for Dynamic Workloads

LSM-trees are widely adopted as the storage backend of key-value stores. However, optimizing the system performance under dynamic workloads has not been sufficiently studied or evaluated in previous work. To fill the gap, we present RusKey, a key-value store with the following new features: (1) RusKey is a first attempt to orchestrate LSM-tree structures online to enable robust performance under the context of dynamic workloads; (2) RusKey is the first study to use Reinforcement Learning (RL) to guide LSM-tree transformations; (3) RusKey includes a new LSM-tree design, named FLSM-tree, for an efficient transition between different compaction policies -- the bottleneck of dynamic key-value stores. We justify the superiority of the new design with theoretical analysis; (4) RusKey requires no prior workload knowledge for system adjustment, in contrast to state-of-the-art techniques. Experiments show that RusKey exhibits strong performance robustness in diverse workloads, achieving up to 4x better end-to-end performance than the RocksDB system under various settings.

Biological Factor Regulatory Neural Network

Genes are fundamental for analyzing biological systems and many recent works proposed to utilize gene expression for various biological tasks by deep learning models. Despite their promising performance, it is hard for deep neural networks to provide biological insights for humans due to their black-box nature. Recently, some works integrated biological knowledge with neural networks to improve the transparency and performance of their models. However, these methods can only incorporate partial biological knowledge, leading to suboptimal performance. In this paper, we propose the Biological Factor Regulatory Neural Network (BFReg-NN), a generic framework to model relations among biological factors in cell systems. BFReg-NN starts from gene expression data and is capable of merging most existing biological knowledge into the model, including the regulatory relations among genes or proteins (e.g., gene regulatory networks (GRN), protein-protein interaction networks (PPI)) and the hierarchical relations among genes, proteins and pathways (e.g., several genes/proteins are contained in a pathway). Moreover, BFReg-NN also has the ability to provide new biologically meaningful insights because of its white-box characteristics. Experimental results on different gene expression-based tasks verify the superiority of BFReg-NN compared with baselines. Our case studies also show that the key insights found by BFReg-NN are consistent with the biological literature.

SeeGera: Self-supervised Semi-implicit Graph Variational Auto-encoders with Masking

Generative graph self-supervised learning (SSL) aims to learn node representations by reconstructing the input graph data. However, most existing methods focus on unsupervised learning tasks only and very few work has shown its superiority over the state-of-the-art graph contrastive learning (GCL) models, especially on the classification task. While a very recent model has been proposed to bridge the gap, its performance on unsupervised learning tasks is still unknown. In this paper, to comprehensively enhance the performance of generative graph SSL against other GCL models on both unsupervised and supervised learning tasks, we propose the SeeGera model, which is based on the family of self-supervised variational graph auto-encoder (VGAE). Specifically, SeeGera adopts the semi-implicit variational inference framework, a hierarchical variational framework, and mainly focuses on feature reconstruction and structure/feature masking. On the one hand, SeeGera co-embeds both nodes and features in the encoder and reconstructs both links and features in the decoder. Since feature embeddings contain rich semantic information on features, they can be combined with node embeddings to provide fine-grained knowledge for feature reconstruction. On the other hand, SeeGera adds an additional layer for structure/feature masking to the hierarchical variational framework, which boosts the model generalizability. We conduct extensive experiments comparing SeeGera with 9 other state-of-the-art competitors. Our results show that SeeGera can compare favorably against other state-of-the-art GCL methods in a variety of unsupervised and supervised learning tasks.