Large Language Models (LLMs) have been increasingly studied as neural knowledge bases for supporting knowledge-intensive applications such as question answering and fact checking. However, the structural organization of their knowledge remains unexplored. Inspired by cognitive neuroscience findings, such as semantic clustering and priming, where knowing one fact increases the likelihood of recalling related facts, we investigate an analogous knowledge homophily pattern in LLMs. To this end, we map LLM knowledge into a graph representation through knowledge checking at both the triplet and entity levels. After that, we analyze the knowledgeability relationship between an entity and its neighbors, discovering that LLMs tend to possess a similar level of knowledge about entities positioned closer in the graph. Motivated by this homophily principle, we propose a Graph Neural Network (GNN) regression model to estimate entity-level knowledgeability scores for triplets by leveraging their neighborhood scores. The predicted knowledgeability enables us to prioritize checking less well-known triplets, thereby maximizing knowledge coverage under the same labeling budget. This not only improves the efficiency of active labeling for fine-tuning to inject knowledge into LLMs but also enhances multi-hop path retrieval in reasoning-intensive question answering.

Coastal flooding poses significant risks to communities, necessitating fast and accurate forecasting methods to mitigate potential damage. To approach this problem, we present Diff-Flood, a probabilistic spatiotemporal forecasting method designed based on denoising diffusion models. Diff-Flood predicts inundation level at a location by taking spatiotemporal context into account. It utilizes inundation levels at neighboring locations and digital elevation data as spatial context. Inundation history from a context time window, together with additional co-variates are used as temporal context. Convolutional neural networks and cross-attention mechanism are then employed to capture the spatiotemporal dynamics in the data. We trained and tested Diff-Flood on coastal inundation data from the Eastern Shore of Virginia, a region highly impacted by coastal flooding. Our results show that, Diff-Flood outperforms existing forecasting methods in terms of prediction performance (6% to 64% improvement in terms of two performance metrics) and scalability.

Graphs, which encode pairwise relations between entities, serve as a fundamental data structure across real-world domains. Many critical applications can be formulated as graph-based tasks, and graph machine learning (GML), from the shallow embedding models to graph neural networks and further advanced to the most powerful graph transformers, has been well-established to automate knowledge discovery and decision-making on graphs. In parallel, the recent emergence of large foundational models has driven machine learning into a new era of Generative Artificial Intelligence (Gen-AI), and this revolution presents both unprecedented opportunities and profound challenges for the well-established GML paradigms. However, few investigations have analyzed and envisioned how GML should evolve to harness these opportunities, address these challenges, and embrace this new Gen-AI era. To fill in this gap, we organize the first international Workshop on Machine Learning on Graphs in the Era of Generative Artificial Intelligence (MLoG-GenAI), held in connection with the 31st ACM Conference on Knowledge Discovery and Data Mining, which provides a venue to gather academic researchers and industry practitioners to discuss and picture the development of GML in the new Gen-AI era.

The rapid growth of large-scale datasets in fields like biology and social networks has driven the need for advanced graph analytics techniques. Community detection, a fundamental task in graph analytics, identifies closely connected groups of nodes within a network, providing valuable insights across various disciplines. This study focuses on two classic community detection methods, the Louvain algorithm and Markov Clustering (MCL), and evaluates the performance of two prominent distributed community detection algorithms: HiPDPL-GPU, our prior implementation, and HipMCL. We conduct experiments on GPU-accelerated heterogeneous HPC systems, Summit and Frontier, to assess their performance under varying conditions. Our objective is to identify the strengths and weaknesses of these algorithms in terms of scalability, and quality of solutions. We evaluate these algorithms on a diverse set of 70+ networks spanning 13 domains, with sizes ranging up to 4.2 billion edges. Our results demonstrate that HiPDPL-GPU consistently outperforms HipMCL, especially for large-scale networks. HiPDPL-GPU achieves significantly faster runtimes (47x to 1439x), higher modularity scores, and improved scalability. These findings highlight HiPDPL-GPU as a promising solution for efficient and effective large-scale graph analytics in diverse application domains, and provide insights into the feasibility of using MCL-based approaches for certain application domains.

We propose AGS-GNN, a novel attribute-guided sampling algorithm for Graph Neural Networks (GNNs). AGS-GNN exploits the node features and the connectivity structure of a graph while simultaneously adapting for both homophily and heterophily in graphs. In homophilic graphs, vertices of the same class are more likely to be adjacent, but vertices of different classes tend to be adjacent in heterophilic graphs. GNNs have been successfully applied to homophilic graphs, but their utility to heterophilic graphs remains challenging. The state-of-the-art GNNs for heterophilic graphs use the full neighborhood of a node instead of sampling it, and hence do not scale to large graphs and are not inductive. We develop dual-channel sampling techniques based on feature-similarity and feature-diversity to select subsets of neighbors for a node that capture adaptive information from homophilic and heterophilic neighborhoods. Currently, AGS-GNN is the only algorithm that explicitly controls homophily in the sampled subgraph through similar and diverse neighborhood samples. For diverse neighborhood sampling, we employ submodularity, a novel contribution in this context. We pre-compute the sampling distribution in parallel, achieving the desired scalability. Using an extensive dataset consisting of 35 small (< 100K nodes) and large (- 100K nodes) homophilic and heterophilic graphs, we demonstrate the superiority of AGS-GNN compared to the state-of-the-art approaches. AGS-GNN achieves test accuracy comparable to the best-performing heterophilic GNNs, even outperforming methods that use the entire graph for node classification. AGS-GNN converges faster than methods that sample neighborhoods randomly, and can be incorporated into existing GNN models that employ node or graph sampling.

Defending cybersystems needs accurate mapping of software and hardware vulnerabilities to generalized descriptions of weaknesses, and weaknesses to exploits. These mappings enable cyber defenders to build plans for effective defense and assessment of potential risks to a cybersystem. With close to 200k vulnerabilities, manual mapping is not a feasible option. However, automated mapping is challenging due to limited training data, computational intractability, and limitations in computational natural language processing. Tools based on breakthroughs in Transformer-based language models have been demonstrated to classify vulnerabilities with high accuracy. We make three key contributions in this paper: (1) We present a new framework, VWC-BERT, that augments the Transformer-based hierarchical multi-class classification framework of Das et al. (V2W-BERT) with the ability to map weaknesses to exploits. (2) We implement VWC-BERT on modern AI accelerator platforms using two data parallel techniques for the pre-training phase and demonstrate nearly linear speedups across NVIDIA accelerator platforms. We observe nearly linear speedups for up to 16 V100 and 8 A100 GPUs, and about 3.4× speedup for A100 relative to V100 GPUs. Enabled by scaling, we also demonstrate higher accuracy using a larger language model, RoBERTa-Large. We show up to 87% accuracy for strict and up to 98% accuracy for relaxed classification. (3) We develop a novel parallel link manager for the link prediction phase and demonstrate up to 21× speedup with 16 V100 GPUs relative to one V100 GPU, and thus reducing the runtime from 2.5 hours to 10 minutes. We believe that generalizability and scalability of VWC-BERT will benefit both the theoretical development and practical deployment of novel cyberdefense solutions and vulnerability classification.

We consider the problem of automating the mapping of observed vulnerabilities in software listed in Common Vulnerabilities and Exposures (CVE) reports to weaknesses listed in Common Weakness Enumerations (CWE) reports, a hierarchically designed dictionary of software weaknesses. Mapping of CVEs to CWEs provides a means to understand how they might be exploited for malicious purposes, and to mitigate their impact. Since manual mapping of CVEs to CWEs is not a viable approach due to their ever-increasing sizes, automated approaches need to be devised but obtaining highly accurate mapping is a challenging problem. We present a novel Transformer-based learning framework (V2W-BERT) in this paper to solve this problem by bringing together ideas from natural language processing, link prediction and transfer learning. Our method outperforms previous approaches not only for CWE instances with abundant data to train, but also for rare CWE classes with little or no data. Using vulnerability and weakness reports from MITRE and the National Vulnerability Database, we achieve up to 97% prediction accuracy for randomly partitioned data and up to 94% prediction accuracy in temporally partitioned data. We demonstrate significant improvements in using historical data to predict weaknesses for future instances of CVEs. We believe that our work will would influence the design of better automated mapping approaches, and also that this technology could be deployed for more effective cybersecurity.