Yinghui Wu

Yangxin Fan, Xuanji Yu, Raymond Wieser et al.

The integration of the global Photovoltaic (PV) market with real time data-loggers has enabled large scale PV data analytical pipelines for power forecasting and long-term reliability assessment of PV fleets. Nevertheless, the performance of PV data analysis heavily depends on the quality of PV timeseries data. This paper proposes a novel Spatio-Temporal Denoising Graph Autoencoder (STD-GAE) framework to impute missing PV Power Data. STD-GAE exploits temporal correlation, spatial coherence, and value dependencies from domain knowledge to recover missing data. Experimental results show that STD-GAE can achieve a gain of 43.14% in imputation accuracy and remains less sensitive to missing rate, different seasons, and missing scenarios, compared with state-of-the-art data imputation methods such as MIDA and LRTC-TNN.

Mengying Wang, Nicolaas Jedema, Rahul Pandey et al.

Knowledge Graph Question Answering (KGQA) has advanced through structured query generation, yet most efforts target RDF/SPARQL, leaving Cypher and property graphs underexplored, despite increasing demand for unified KGQA in industry settings. We propose UniQGen, a novel constraint-based framework that employs LLM agents to dynamically extract and refine representative graph query clauses into executable, intent-aligned graph queries across query languages. The foundation of our method is a variant of Chase & Backchase, a family of algorithms for query optimization and reformulation. We extend Chase & Backchase with a dynamic reasoning process over query constraints that also interact with LLMs for query quality estimation. With a Cypher-supported Freebase graph deployed on Amazon Neptune, we extensively evaluate our approach on popular KGQA benchmarks (GraphQ, GrailQA, and WebQSP). We demonstrate that UniQGen outperforms state-of-the-art graph query generation techniques in both accuracy and efficiency, with F1 gains of 31.6% on GraphQ and 4.9% on GrailQA. Unlike prior methods, our framework does not require fine-tuning for schema matching, making it more extensible to schema-less graphs and semantics in query workloads, and is more suitable for enterprise-grade KGQA. We release Cypher outputs and a Neptune-ready Freebase snapshot to support reproducible, cross-language KGQA research.

Mingjian Lu, Pawan K. Tripathi, Mark Shteyn et al.

Segmentation architectures are typically benchmarked on single imaging modalities, obscuring deployment-relevant performance variations: an architecture optimal for one modality may underperform on another. We present a cross-modal evaluation framework for materials image segmentation spanning SEM, AFM, XCT, and optical microscopy. Our evaluation of six encoder-decoder combinations across seven datasets reveals that optimal architectures vary systematically by context: UNet excels for high-contrast 2D imaging while DeepLabv3+ is preferred for the hardest cases. The framework also provides deployment feedback via out-of-distribution detection and counterfactual explanations that reveal which microstructural features drive predictions. Together, the architecture guidance, reliability signals, and interpretability tools address a practical gap in materials characterization, where researchers lack tools to select architectures for their specific imaging setup or assess when models can be trusted on new samples.

Tingyang Chen, Dazhuo Qiu, Yinghui Wu et al.

Generating explanations for graph neural networks (GNNs) has been studied to understand their behavior in analytical tasks such as graph classification. Existing approaches aim to understand the overall results of GNNs rather than providing explanations for specific class labels of interest, and may return explanation structures that are hard to access, nor directly queryable.We propose GVEX, a novel paradigm that generates Graph Views for EXplanation. (1) We design a two-tier explanation structure called explanation views. An explanation view consists of a set of graph patterns and a set of induced explanation subgraphs. Given a database G of multiple graphs and a specific class label l assigned by a GNN-based classifier M, it concisely describes the fraction of G that best explains why l is assigned by M. (2) We propose quality measures and formulate an optimization problem to compute optimal explanation views for GNN explanation. We show that the problem is $Σ^2_P$-hard. (3) We present two algorithms. The first one follows an explain-and-summarize strategy that first generates high-quality explanation subgraphs which best explain GNNs in terms of feature influence maximization, and then performs a summarization step to generate patterns. We show that this strategy provides an approximation ratio of 1/2. Our second algorithm performs a single-pass to an input node stream in batches to incrementally maintain explanation views, having an anytime quality guarantee of 1/4 approximation. Using real-world benchmark data, we experimentally demonstrate the effectiveness, efficiency, and scalability of GVEX. Through case studies, we showcase the practical applications of GVEX.

Dazhuo Qiu, Mengying Wang, Arijit Khan et al.

This paper introduces a new class of explanation structures, called robust counterfactual witnesses (RCWs), to provide robust, both counterfactual and factual explanations for graph neural networks. Given a graph neural network M, a robust counterfactual witness refers to the fraction of a graph G that are counterfactual and factual explanation of the results of M over G, but also remains so for any "disturbed" G by flipping up to k of its node pairs. We establish the hardness results, from tractable results to co-NP-hardness, for verifying and generating robust counterfactual witnesses. We study such structures for GNN-based node classification, and present efficient algorithms to verify and generate RCWs. We also provide a parallel algorithm to verify and generate RCWs for large graphs with scalability guarantees. We experimentally verify our explanation generation process for benchmark datasets, and showcase their applications.

Yangxin Fan, Raymond Wieser, Laura Bruckman et al.

We propose a novel Spatio-Temporal Graph Neural Network empowered trend analysis approach (ST-GTrend) to perform fleet-level performance degradation analysis for Photovoltaic (PV) power networks. PV power stations have become an integral component to the global sustainable energy production landscape. Accurately estimating the performance of PV systems is critical to their feasibility as a power generation technology and as a financial asset. One of the most challenging problems in assessing the Levelized Cost of Energy (LCOE) of a PV system is to understand and estimate the long-term Performance Loss Rate (PLR) for large fleets of PV inverters. ST-GTrend integrates spatio-temporal coherence and graph attention to separate PLR as a long-term "aging" trend from multiple fluctuation terms in the PV input data. To cope with diverse degradation patterns in timeseries, ST-GTrend adopts a paralleled graph autoencoder array to extract aging and fluctuation terms simultaneously. ST-GTrend imposes flatness and smoothness regularization to ensure the disentanglement between aging and fluctuation. To scale the analysis to large PV systems, we also introduce Para-GTrend, a parallel algorithm to accelerate the training and inference of ST-GTrend. We have evaluated ST-GTrend on three large-scale PV datasets, spanning a time period of 10 years. Our results show that ST-GTrend reduces Mean Absolute Percent Error (MAPE) and Euclidean Distances by 34.74% and 33.66% compared to the SOTA methods. Our results demonstrate that Para-GTrend can speed up ST-GTrend by up to 7.92 times. We further verify the generality and effectiveness of ST-GTrend for trend analysis using financial and economic datasets.

Mengying Wang, Hanchao Ma, Yiyang Bian et al.

Preparing high-quality datasets required by various data-driven AI and machine learning models has become a cornerstone task in data-driven analysis. Conventional data discovery methods typically integrate datasets towards a single pre-defined quality measure that may lead to bias for downstream tasks. This paper introduces MODis, a framework that discovers datasets by optimizing multiple user-defined, model-performance measures. Given a set of data sources and a model, MODis selects and integrates data sources into a skyline dataset, over which the model is expected to have the desired performance in all the performance measures. We formulate MODis as a multi-goal finite state transducer, and derive three feasible algorithms to generate skyline datasets. Our first algorithm adopts a "reduce-from-universal" strategy, that starts with a universal schema and iteratively prunes unpromising data. Our second algorithm further reduces the cost with a bi-directional strategy that interleaves data augmentation and reduction. We also introduce a diversification algorithm to mitigate the bias in skyline datasets. We experimentally verify the efficiency and effectiveness of our skyline data discovery algorithms, and showcase their applications in optimizing data science pipelines.

Mengying Wang, Chenhui Ma, Ao Jiao et al.

Large Language Models (LLMs) have greatly advanced knowledge graph question answering (KGQA), yet existing systems are typically optimized for returning highly relevant but predictable answers. A missing yet desired capacity is to exploit LLMs to suggest surprise and novel ("serendipitious") answers. In this paper, we formally define the serendipity-aware KGQA task and propose the SerenQA framework to evaluate LLMs' ability to uncover unexpected insights in scientific KGQA tasks. SerenQA includes a rigorous serendipity metric based on relevance, novelty, and surprise, along with an expert-annotated benchmark derived from the Clinical Knowledge Graph, focused on drug repurposing. Additionally, it features a structured evaluation pipeline encompassing three subtasks: knowledge retrieval, subgraph reasoning, and serendipity exploration. Our experiments reveal that while state-of-the-art LLMs perform well on retrieval, they still struggle to identify genuinely surprising and valuable discoveries, underscoring a significant room for future improvements. Our curated resources and extended version are released at: https://cwru-db-group.github.io/serenQA.

Mengying Wang, Moming Duan, Yicong Huang et al.

Machine learning (ML) assets, such as models, datasets, and metadata, are central to modern ML workflows. Despite their explosive growth in practice, these assets are often underutilized due to fragmented documentation, siloed storage, inconsistent licensing, and lack of unified discovery mechanisms, making ML-asset management an urgent challenge. This tutorial offers a comprehensive overview of ML-asset management activities across its lifecycle, including curation, discovery, and utilization. We provide a categorization of ML assets, and major management issues, survey state-of-the-art techniques, and identify emerging opportunities at each stage. We further highlight system-level challenges related to scalability, lineage, and unified indexing. Through live demonstrations of systems, this tutorial equips both researchers and practitioners with actionable insights and practical tools for advancing ML-asset management in real-world and domain-specific settings.

Ethan Frakes, Yinghui Wu, Roger H. French et al.

Detecting, analyzing, and predicting power outages is crucial for grid risk assessment and disaster mitigation. Numerous outages occur each year, exacerbated by extreme weather events such as hurricanes. Existing outage data are typically reported at the county level, limiting their spatial resolution and making it difficult to capture localized patterns. However, it offers excellent temporal granularity. In contrast, nighttime light satellite image data provides significantly higher spatial resolution and enables a more comprehensive spatial depiction of outages, enhancing the accuracy of assessing the geographic extent and severity of power loss after disaster events. However, these satellite data are only available on a daily basis. Integrating spatiotemporal visual and time-series data sources into a unified knowledge representation can substantially improve power outage detection, analysis, and predictive reasoning. In this paper, we propose GeoOutageKG, a multimodal knowledge graph that integrates diverse data sources, including nighttime light satellite image data, high-resolution spatiotemporal power outage maps, and county-level timeseries outage reports in the U.S. We describe our method for constructing GeoOutageKG by aligning source data with a developed ontology, GeoOutageOnto. Currently, GeoOutageKG includes over 10.6 million individual outage records spanning from 2014 to 2024, 300,000 NTL images spanning from 2012 to 2024, and 15,000 outage maps. GeoOutageKG is a novel, modular and reusable semantic resource that enables robust multimodal data integration. We demonstrate its use through multiresolution analysis of geospatiotemporal power outages.

Lam Nguyen, Erika Barcelos, Roger French et al.

Ontology Matching (OM) is a cornerstone task of semantic interoperability, yet existing systems often rely on handcrafted rules or specialized models with limited adaptability. We present KROMA, a novel OM framework that harnesses Large Language Models (LLMs) within a Retrieval-Augmented Generation (RAG) pipeline to dynamically enrich the semantic context of OM tasks with structural, lexical, and definitional knowledge. To optimize both performance and efficiency, KROMA integrates a bisimilarity-based concept matching and a lightweight ontology refinement step, which prune candidate concepts and substantially reduce the communication overhead from invoking LLMs. Through experiments on multiple benchmark datasets, we show that integrating knowledge retrieval with context-augmented LLMs significantly enhances ontology matching, outperforming both classic OM systems and cutting-edge LLM-based approaches while keeping communication overhead comparable. Our study highlights the feasibility and benefit of the proposed optimization techniques (targeted knowledge retrieval, prompt enrichment, and ontology refinement) for ontology matching at scale.

Tingting Zhu, Tingyang Chen, Yinghui Wu et al.

Ensuring the trustworthiness of graph neural networks (GNNs) as black-box models requires effective explanation methods. Existing GNN explanations typically apply input perturbations to identify subgraphs that are responsible for the occurrence of the final output of GNNs. However, such approaches lack finer-grained, layer-wise analysis of how intermediate representations contribute to the final result, capabilities that are crucial for model diagnosis and architecture optimization. This paper introduces SliceGX, a novel GNN explanation approach that generates explanations at specific GNN layers in a progressive manner. Given a GNN M, a set of selected intermediate layers, and a target layer, SliceGX automatically segments M into layer blocks ("model slice") and discovers high-quality explanatory subgraphs in each layer block that clarifies the occurrence of output of M at the targeted layer. Although finding such layer-wise explanations is computationally challenging, we develop efficient algorithms and optimization techniques that incrementally generate and maintain these subgraphs with provable approximation guarantees. Additionally, SliceGX offers a SPARQL-like query interface, providing declarative access and search capacities for the generated explanations. Through experiments on large real-world graphs and representative GNN architectures, we verify the effectiveness and efficiency of SliceGX, and illustrate its practical utility in supporting model debugging.

Dazhuo Qiu, Haolai Che, Arijit Khan et al.

Inference queries have been routinely issued to graph machine learning models such as graph neural networks (GNNs) for various network analytical tasks. Nevertheless, GNN outputs are often hard to interpret comprehensively. Existing methods typically conform to individual pre-defined explainability measures (such as fidelity), which often leads to biased, ``one-side'' interpretations. This paper introduces skyline explanation, a new paradigm that interprets GNN outputs by simultaneously optimizing multiple explainability measures of users' interests. (1) We propose skyline explanations as a Pareto set of explanatory subgraphs that dominate others over multiple explanatory measures. We formulate skyline explanation as a multi-criteria optimization problem, and establish its hardness results. (2) We design efficient algorithms with an onion-peeling approach, which strategically prioritizes nodes and removes unpromising edges to incrementally assemble skyline explanations. (3) We also develop an algorithm to diversify the skyline explanations to enrich the comprehensive interpretation. (4) We introduce efficient parallel algorithms with load-balancing strategies to scale skyline explanation for large-scale GNN-based inference. Using real-world and synthetic graphs, we experimentally verify our algorithms' effectiveness and scalability.

Yangxin Fan, Haolai Che, Yinghui Wu

Graph Neural Networks (GNNs) have demonstrated promising performance in graph analysis. Nevertheless, the inference process of GNNs remains costly, hindering their applications for large graphs. This paper proposes inference-friendly graph compression (IFGC), a graph compression scheme to accelerate GNNs inference. Given a graph $G$ and a GNN $M$, an IFGC computes a small compressed graph $G_c$, to best preserve the inference results of $M$ over $G$, such that the result can be directly inferred by accessing $G_c$ with no or little decompression cost. (1) We characterize IFGC with a class of inference equivalence relation. The relation captures the node pairs in $G$ that are not distinguishable for GNN inference. (2) We introduce three practical specifications of IFGC for representative GNNs: structural preserving compression (SPGC), which computes $G_c$ that can be directly processed by GNN inference without decompression; ($α$, $r$)-compression, that allows for a configurable trade-off between compression ratio and inference quality, and anchored compression that preserves inference results for specific nodes of interest. For each scheme, we introduce compression and inference algorithms with guarantees of efficiency and quality of the inferred results. We conduct extensive experiments on diverse sets of large-scale graphs, which verifies the effectiveness and efficiency of our graph compression approaches.

Mohammad Hossein Namaki, Avrilia Floratou, Fotis Psallidas et al.

There has recently been a lot of ongoing research in the areas of fairness, bias and explainability of machine learning (ML) models due to the self-evident or regulatory requirements of various ML applications. We make the following observation: All of these approaches require a robust understanding of the relationship between ML models and the data used to train them. In this work, we introduce the ML provenance tracking problem: the fundamental idea is to automatically track which columns in a dataset have been used to derive the features/labels of an ML model. We discuss the challenges in capturing such information in the context of Python, the most common language used by data scientists. We then present Vamsa, a modular system that extracts provenance from Python scripts without requiring any changes to the users' code. Using 26K real data science scripts, we verify the effectiveness of Vamsa in terms of coverage, and performance. We also evaluate Vamsa's accuracy on a smaller subset of manually labeled data. Our analysis shows that Vamsa's precision and recall range from 90.4% to 99.1% and its latency is in the order of milliseconds for average size scripts. Drawing from our experience in deploying ML models in production, we also present an example in which Vamsa helps automatically identify models that are affected by data corruption issues.

Mohammad Hossain Namaki, F A Rezaur Rahman Chowdhury, Md Rakibul Islam et al.

Querying graph structured data is a fundamental operation that enables important applications including knowledge graph search, social network analysis, and cyber-network security. However, the growing size of real-world data graphs poses severe challenges for graph databases to meet the response-time requirements of the applications. Planning the computational steps of query processing - Query Planning - is central to address these challenges. In this paper, we study the problem of learning to speedup query planning in graph databases towards the goal of improving the computational-efficiency of query processing via training queries.We present a Learning to Plan (L2P) framework that is applicable to a large class of query reasoners that follow the Threshold Algorithm (TA) approach. First, we define a generic search space over candidate query plans, and identify target search trajectories (query plans) corresponding to the training queries by performing an expensive search. Subsequently, we learn greedy search control knowledge to imitate the search behavior of the target query plans. We provide a concrete instantiation of our L2P framework for STAR, a state-of-the-art graph query reasoner. Our experiments on benchmark knowledge graphs including DBpedia, YAGO, and Freebase show that using the query plans generated by the learned search control knowledge, we can significantly improve the speed of STAR with negligible loss in accuracy.

Bo Zong, Yinghui Wu, Ambuj K. Singh et al.

In social networks, information and influence diffuse among users as cascades. While the importance of studying cascades has been recognized in various applications, it is difficult to observe the complete structure of cascades in practice. Moreover, much less is known on how to infer cascades based on partial observations. In this paper we study the cascade inference problem following the independent cascade model, and provide a full treatment from complexity to algorithms: (a) We propose the idea of consistent trees as the inferred structures for cascades; these trees connect source nodes and observed nodes with paths satisfying the constraints from the observed temporal information. (b) We introduce metrics to measure the likelihood of consistent trees as inferred cascades, as well as several optimization problems for finding them. (c) We show that the decision problems for consistent trees are in general NP-complete, and that the optimization problems are hard to approximate. (d) We provide approximation algorithms with performance guarantees on the quality of the inferred cascades, as well as heuristics. We experimentally verify the efficiency and effectiveness of our inference algorithms, using real and synthetic data.