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Arijit Khan

Publications and source records attributed to Arijit Khan.

At least 19 recordsLinked to original sources
arXiv2026

Inductive Correlation Clustering with Graph Neural Networks

Correlation Clustering (CC) is a natural formulation of clustering in combinatorial optimization, which uses a graph representation of the input and does not require a pre-specified number of clusters. Given $n$ objects and a pairwise similarity function, the goal is to cluster the objects so that similar objects are put in the same cluster and dissimilar objects are put in different clusters. Despite its versatility, existing CC algorithms suffer from significant scalability issues and are inherently transductive: i.e., the algorithm must be executed from scratch for any new problem instance. In this work, we bridge this gap by leveraging Graph Neural Networks (GNNs) to solve Inductive Correlation Clustering, a novel generalization of the CC problem designed to handle unseen graph instances. By learning to exploit common structural patterns and node features during training, our framework generalizes to new graphs drawn from the same distribution with minimal computational overhead with respect to standard algorithms. We demonstrate the effectiveness and scalability of our approach through extensive experiments. Our framework not only excels in the inductive setting, e.g., lowering the inference time up to $5$ order of magnitude, while maintaining an approximation ratio within $~10\%$ of the best baseline solution, but also achieves competitive results on standard (transductive) CC benchmarks. Finally, we showcase a practical application of our framework as a learnable pooling mechanism for graph classification. Our results indicate that our method serves as an efficient pooling layer, enhancing the ability of GNNs to capture hierarchical structural information in networks.

cs.LG↗
arXiv2026

Towards Trustworthy and Cost-Efficient Data Integration: From Na\"ive RAG to Agentic RAG

Large language models (LLMs) and AI agents have demonstrated strong potential for data integration in zero-shot and few-shot settings. However, they continue to face significant accuracy and cost challenges in enterprise environments due to a persistent knowledge gap. This paper envisions trustworthy, scalable, and cost-efficient integration through knowledge-grounded LLMs and agents operating within a retrieval-augmented generation (RAG) workflow. Here, trustworthiness refers to evidence-grounded, verifiable reasoning, where integration decisions are transparently supported by retrieved knowledge, robust against hallucination, and consistent across tasks. We trace the evolution from classic RAG to GraphRAG and KG-RAG (knowledge graph-based RAG), highlighting how these paradigms bridge parametric and contextual knowledge. Building on this trajectory, we explore the shift toward Agentic RAG, where autonomous multi-agent systems adaptively plan, retrieve, refine, and reason for complex integration tasks. We examine optimization strategies for cost-efficient integration, addressing computational bottlenecks in large-scale enterprise settings. Finally, we outline open challenges and future directions toward building reliable, explainable, and scalable knowledge-grounded integration systems.

cs.DB↗
arXiv2026

FeLoG: Scalable and Efficient Distributed Graph Embedding with Feedback Loop Mechanism

Graph embedding maps graph nodes into low-dimensional vectors to support applications such as recommendation, fraud detection, and graph-based retrieval-augmented generation (GraphRAG). As graphs scale to billions of edges, scalable and efficient graph embedding has become increasingly important. Existing frameworks commonly adopt a sampling-training paradigm, in which mini-batches are constructed by sampling nodes and their neighbors. However, sampling is typically decoupled from evolving embedding quality, causing redundant exploration of well-trained regions while under-sampling undertrained nodes. At the system level, such decoupling further leads to excessive communication, serialized execution, and low resource utilization in distributed environments. We present FeLoG, a feedback loop-driven system for scalable distributed graph embedding. (1) FeLoG introduces feedback-coupled sampling and training, dynamically prioritizing undertrained nodes according to real-time embedding-quality feedback, thereby reducing redundant computation and accelerating convergence. (2) It employs activity-aware communication that compresses frequently occurring node sequences to reduce intra-machine PCIe traffic and selectively synchronizes frequently updated embeddings to reduce inter-machine communication. (3) It adopts a round-interleaved pipeline that overlaps next-round sampling with current-round training to improve CPU-GPU utilization. Experiments against six state-of-the-art baselines on large-scale graphs show that FeLoG achieves an average speedup of 27.9x, reduces communication cost by more than 53.1%, and sustains over 80% CPU-GPU utilization.

cs.DC↗
arXiv2026

Informative Missingness to Generate Irregular Clinical Time Series

Laboratory tests in electronic health records are collected irregularly, and the absence of a test order can be as informative as the measurement itself. Such missingness reflects clinicians' decisions and patient physiology, making it important to model it directly rather than treat it as a preprocessing artifact. Here we present a diffusion-based approach for generating clinical time series that jointly models laboratory values and their observation patterns using the public Data Analytics Challenge on Missing Data Imputation (DACMI) benchmark derived from MIMIC-III. To preserve realistic sampling, we align chart times into 4-hour intervals and segment admissions into 7-day windows, producing trajectories that pair each lab value with a corresponding observation indicator. Standard transformations and normalization are applied to stabilize training. Our method extends the TimeDiff framework to learn continuous lab values and discrete missingness patterns through complementary diffusion objectives. Experiments show that the generated data closely match real patient trajectories across individual lab distributions and joint value-missingness embeddings, demonstrating that diffusion models can capture clinically meaningful dependencies between patient physiology and clinicians' testing behavior under MNAR-like (missing-not-at-random) missingness. These preliminary results indicate that our model can serve as an initial component toward developing clinical foundation models. By producing synthetic priors that preserve key physiology-missingness relationships, this work motivates the subsequent training of Prior-Data Fitted Networks capable of leveraging informative missingness, which we will investigate in the extended work.

cs.LG↗
arXiv2026

LLMs+Graphs: Toward Graph-Native, Synergistic AI Systems

Large Language Models (LLMs) have advanced rapidly, but their limitations in structured and multi-hop reasoning underscore the need for graph-native, synergistic artificial intelligence (AI) systems. Graph-structured data underpins critical applications across social, biological, financial, transportation, web, and knowledge domains, making it essential to understand how LLMs can leverage graph computation for grounded, context-rich inference. Three complementary synergies are emerging: LLMs augmented with graph computation for retrieval and reasoning; bidirectional integration between LLMs and knowledge graphs (KGs), where LLMs support KG construction and curation while KGs enforce semantic constraints and factual consistency; and AI agents strengthened by graph algorithms for planning, decision making, and multi-step reasoning. In parallel, LLMs introduce new capabilities for graph data management and graph machine learning (ML) through natural language interfaces and hybrid LLM-graph neural network (GNN) pipelines. This tutorial synthesizes the algorithms, systems, and design principles driving these converging directions, offering data science and data mining researchers a unified perspective on integrating LLMs, graph data management, graph mining, graph ML, and agentic computation into next-generation graph-native AI systems.

cs.DB↗
arXiv2026

LLM+Graph@VLDB'2025 Workshop Summary

The integration of large language models (LLMs) with graph-structured data has become a pivotal and fast evolving research frontier, drawing strong interest from both academia and industry. The 2nd LLM+Graph Workshop, co-located with the 51st International Conference on Very Large Data Bases (VLDB 2025) in London, focused on advancing algorithms and systems that bridge LLMs, graph data management, and graph machine learning for practical applications. This report highlights the key research directions, challenges, and innovative solutions presented by the workshop's speakers.

cs.DB↗
arXiv2026

Tipping the Balance: Impact of Class Imbalance Correction on the Performance of Clinical Risk Prediction Models

Objective: ML-based clinical risk prediction models are increasingly used to support decision-making in healthcare. While class-imbalance correction techniques are commonly applied to improve model performance in settings with rare outcomes, their impact on probabilistic calibration remains insufficiently understood. This study evaluated the effect of widely used resampling strategies on both discrimination and calibration across real-world clinical prediction tasks. Methods: Ten clinical datasets spanning diverse medical domains and including 605,842 patients were analyzed. Multiple machine-learning model families, including linear models and several non-linear approaches, were evaluated. Models were trained on the original data and under three commonly used 1:1 class-imbalance correction strategies (SMOTE, RUS, ROS). Performance was assessed on held-out data using discrimination and calibration metrics. Results: Across all datasets and model families, resampling had no positive impact on predictive performance. Changes in the Receiver Operating Characteristic Area Under Curve (ROC-AUC) relative to models trained on the original data were small and inconsistent (ROS: -0.002, p<0.05; RUS: -0.004, p>0.05; SMOTE: -0.01, p<0.05), with no resampling strategy demonstrating a systematic improvement. In contrast, resampling in general degraded the calibration performance. Models trained using imbalance correction exhibited higher Brier scores (0.029 to 0.080, p<0.05), reflecting poorer probabilistic accuracy, and marked deviations in calibration intercept and slope, indicating systematic distortions of predicted risk despite preserved rank-based performance. Conclusion: In a diverse set of real-world clinical prediction tasks, commonly used class-imbalance correction techniques did not provide generalizable improvements in discrimination and were associated with degraded calibration.

q-bio.QM↗
arXiv2026

Cost-Efficient RAG for Entity Matching with LLMs: A Blocking-based Exploration

Retrieval-augmented generation (RAG) enhances LLM reasoning in knowledge-intensive tasks, but existing RAG pipelines incur substantial retrieval and generation overhead when applied to large-scale entity matching. To address this limitation, we introduce CE-RAG4EM, a cost-efficient RAG architecture that reduces computation through blocking-based batch retrieval and generation. We also present a unified framework for analyzing and evaluating RAG systems for entity matching, focusing on blocking-aware optimizations and retrieval granularity. Extensive experiments suggest that CE-RAG4EM can achieve comparable or improved matching quality while substantially reducing end-to-end runtime relative to strong baselines. Our analysis further reveals that key configuration parameters introduce an inherent trade-off between performance and overhead, offering practical guidance for designing efficient and scalable RAG systems for entity matching and data integration.

cs.DB↗
arXiv2026

ATEX-CF: Attack-Informed Counterfactual Explanations for Graph Neural Networks

Counterfactual explanations offer an intuitive way to interpret graph neural networks (GNNs) by identifying minimal changes that alter a model's prediction, thereby answering "what must differ for a different outcome?". In this work, we propose a novel framework, ATEX-CF that unifies adversarial attack techniques with counterfactual explanation generation-a connection made feasible by their shared goal of flipping a node's prediction, yet differing in perturbation strategy: adversarial attacks often rely on edge additions, while counterfactual methods typically use deletions. Unlike traditional approaches that treat explanation and attack separately, our method efficiently integrates both edge additions and deletions, grounded in theory, leveraging adversarial insights to explore impactful counterfactuals. In addition, by jointly optimizing fidelity, sparsity, and plausibility under a constrained perturbation budget, our method produces instance-level explanations that are both informative and realistic. Experiments on synthetic and real-world node classification benchmarks demonstrate that ATEX-CF generates faithful, concise, and plausible explanations, highlighting the effectiveness of integrating adversarial insights into counterfactual reasoning for GNNs.

cs.LG↗
arXiv2025

SQL-to-Text Generation with Weighted-AST Few-Shot Prompting

SQL-to-Text generation aims at translating structured SQL queries into natural language descriptions, thereby facilitating comprehension of complex database operations for non-technical users. Although large language models (LLMs) have recently demonstrated promising results, current methods often fail to maintain the exact semantics of SQL queries, particularly when there are multiple possible correct phrasings. To address this problem, our work proposes Weighted-AST retrieval with prompting, an architecture that integrates structural query representations and LLM prompting. This method retrieves semantically relevant examples as few-shot prompts using a similarity metric based on an Abstract Syntax Tree (AST) with learned feature weights. Our structure-aware prompting technique ensures that generated descriptions are both fluent and faithful to the original query logic. Numerous experiments on three benchmark datasets - Spider, SParC, and CoSQL show that our method outperforms the current baselines by up to +17.24% in execution Accuracy (EX), performs superior in Exact Match (EM) and provides more consistent semantic fidelity when evaluated by humans, all while preserving competitive runtime performance. These results demonstrate that Weighted-AST prompting is a scalable and effective method for deriving natural language explanations from structured database queries.

cs.DB↗
arXiv2025

A Survey of LLM Prompt Datasets: Taxonomy, Linguistic Patterns, and Practical Uses

We compile 129 public LLM prompt datasets with more than 1.22TB and more than 673M instances and organize them into a unified taxonomy. We use seven datasets for detailed analysis and identify lexical, syntactic, and semantic patterns that distinguish prompts from general text. We evaluate these features in prompt filtering, source domain routing, and elicited response quality analysis. A 63 dimensional linguistic feature set that can be extracted on a CPU achieves over 91% of the F1 of GPU sentence embeddings and reduces latency per request by nearly half. In cross dataset routing, sentence embeddings reach 0.74 Macro-F1 and a structural feature subset reaches 0.61, compared with the chance level of 0.20. Structural routing features remain negatively associated with elicited response quality after prompt length is controlled on UltraFeedback. The apparent positive association of type to token ratio becomes much smaller under the same control. These findings support prompt processing pipelines that combine efficient structural features with robust semantic routing. Our catalogue, annotations, and code are given at https://github.com/ymzhang-cs/prompt-dataset-analysis.

cs.LG↗
arXiv2025

NAEx: A Plug-and-Play Framework for Explaining Network Alignment

Network alignment (NA) identifies corresponding nodes across multiple networks, with applications in domains like social networks, co-authorship, and biology. Despite advances in alignment models, their interpretability remains limited, making it difficult to understand alignment decisions and posing challenges in building trust, particularly in high-stakes domains. To address this, we introduce NAEx, a plug-and-play, model-agnostic framework that explains alignment models by identifying key subgraphs and features influencing predictions. NAEx addresses the key challenge of preserving the joint cross-network dependencies on alignment decisions by: (1) jointly parameterizing graph structures and feature spaces through learnable edge and feature masks, and (2) introducing an optimization objective that ensures explanations are both faithful to the original predictions and enable meaningful comparisons of structural and feature-based similarities between networks. NAEx is an inductive framework that efficiently generates NA explanations for previously unseen data. We introduce evaluation metrics tailored to alignment explainability and demonstrate NAEx's effectiveness and efficiency on benchmark datasets by integrating it with four representative NA models.

cs.LG↗
arXiv2025

SliceGX: Layer-wise GNN Explanation with Model-slicing

Ensuring the trustworthiness of graph neural networks (GNNs), which are often treated as black-box models, requires effective explanation techniques. 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 model M, a set of selected intermediate layers, and a target layer, SliceGX slices M into layer blocks("model slice") and discovers high-quality explanatory subgraphs within each block that elucidate how the model output arises at the target layer. Although finding such layer-wise explanations is computationally challenging, we develop efficient algorithms and optimization techniques that incrementally construct and maintain these subgraphs with provable approximation guarantees. Extensive experiments on synthetic and real-world benchmarks demonstrate the effectiveness and efficiency of SliceGX, and illustrate its practical utility in supporting model debugging.

cs.LG↗
arXiv2025

In-context Clustering-based Entity Resolution with Large Language Models: A Design Space Exploration

Entity Resolution (ER) is a fundamental data quality improvement task that identifies and links records referring to the same real-world entity. Traditional ER approaches often rely on pairwise comparisons, which can be costly in terms of time and monetary resources, especially with large datasets. Recently, Large Language Models (LLMs) have shown promising results in ER tasks. However, existing methods typically focus on pairwise matching, missing the potential of LLMs to perform clustering directly in a more cost-effective and scalable manner. In this paper, we propose a novel in-context clustering approach for ER, where LLMs are used to cluster records directly, reducing both time complexity and monetary costs. We systematically investigate the design space for in-context clustering, analyzing the impact of factors such as set size, diversity, variation, and ordering of records on clustering performance. Based on these insights, we develop LLM-CER (LLM-powered Clustering-based ER), which achieves high-quality ER results while minimizing LLM API calls. Our approach addresses key challenges, including efficient cluster merging and LLM hallucination, providing a scalable and effective solution for ER. Extensive experiments on nine real-world datasets demonstrate that our method significantly improves result quality, achieving up to 150% higher accuracy, 10% increase in the F-measure, and reducing API calls by up to 5 times, while maintaining comparable monetary cost to the most cost-effective baseline.

cs.DB↗
arXiv2025

Large Language Models Meet Knowledge Graphs for Question Answering: Synthesis and Opportunities

Large language models (LLMs) have demonstrated remarkable performance on question-answering (QA) tasks because of their superior capabilities in natural language understanding and generation. However, LLM-based QA struggles with complex QA tasks due to poor reasoning capacity, outdated knowledge, and hallucinations. Several recent works synthesize LLMs and knowledge graphs (KGs) for QA to address the above challenges. In this survey, we propose a new structured taxonomy that categorizes the methodology of synthesizing LLMs and KGs for QA according to the categories of QA and the KG's role when integrating with LLMs. We systematically survey state-of-the-art methods in synthesizing LLMs and KGs for QA and compare and analyze these approaches in terms of strength, limitations, and KG requirements. We then align the approaches with QA and discuss how these approaches address the main challenges of different complex QA. Finally, we summarize the advancements, evaluation metrics, and benchmark datasets and highlight open challenges and opportunities.

cs.CL↗
arXiv2025

Finding Counterfactual Evidences for Node Classification

Counterfactual learning is emerging as an important paradigm, rooted in causality, which promises to alleviate common issues of graph neural networks (GNNs), such as fairness and interpretability. However, as in many real-world application domains where conducting randomized controlled trials is impractical, one has to rely on available observational (factual) data to detect counterfactuals. In this paper, we introduce and tackle the problem of searching for counterfactual evidences for the GNN-based node classification task. A counterfactual evidence is a pair of nodes such that, regardless they exhibit great similarity both in the features and in their neighborhood subgraph structures, they are classified differently by the GNN. We develop effective and efficient search algorithms and a novel indexing solution that leverages both node features and structural information to identify counterfactual evidences, and generalizes beyond any specific GNN. Through various downstream applications, we demonstrate the potential of counterfactual evidences to enhance fairness and accuracy of GNNs.

cs.LG↗
arXiv2025

Interpreting Graph Inference with Skyline Explanations

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.

cs.LG↗
arXiv2025

CoT-RAG: Integrating Chain of Thought and Retrieval-Augmented Generation to Enhance Reasoning in Large Language Models

Chain-of-thought (CoT) reasoning boosts large language models' (LLMs) performance on complex tasks but faces two key limitations: a lack of reliability when solely relying on LLM-generated reasoning chains and lower reasoning performance from natural language prompts compared with code prompts. To address these issues, we propose CoT-RAG, a novel reasoning framework with three key designs: (i) Knowledge Graph-driven CoT Generation, featuring knowledge graphs to modulate reasoning chain generation of LLMs, thereby enhancing reasoning credibility; (ii) Learnable Knowledge Case-aware RAG, which incorporates retrieval-augmented generation (RAG) into knowledge graphs to retrieve relevant sub-cases and sub-descriptions, providing LLMs with learnable information; (iii) Pseudo Program Prompting Execution, which promotes greater logical rigor by guiding LLMs to execute reasoning tasks as pseudo-programs. Evaluations on nine public datasets spanning three reasoning tasks reveal significant accuracy gains-ranging from 4.0% to 44.3%-over state-of-the-art methods. Furthermore, tests on four domain-specific datasets demonstrate exceptional accuracy and efficient execution, underscoring its practical applicability and scalability. Our code and data are available at https: //github.com/hustlfy123/CoT-RAG.

cs.CL↗