arXiv subjects

Subhankar Mishra

Publications and source records attributed to Subhankar Mishra.

At least 19 recordsLinked to original sources

arXiv2026

Query-Side Attacks on GNN-Based KGQA: Tracing Failures from Entity Linking to Answer Generation

GNN-based Knowledge Graph Question Answering (KGQA) pipelines process queries through four discrete stages: entity linking, subgraph retrieval, GNN reasoning, and answer generation. Standard robustness evaluations conflate stage-level failures into a single end-to-end metric, obscuring both the source of brittleness and the appropriate mitigation target. We ask which stage fails, and why, when the pipeline is subjected to adversarial perturbations on the input question. We introduce a stage-isolation protocol with two answer-preserving adversarial perturbations verified against the knowledge graph: Compositional Restructuring (CR) and Relation Synonym Swap (RS) target distinct stages while leaving entity seeds intact. Evaluated across ComplexWebQuestions and WebQSP, the results run counter to prevailing assumptions: the GNN reasoning stage retains near-baseline accuracy when the subgraph is intact, while subgraph construction accounts for over 99\% of the end-to-end collapse under CR, occurring even when the gold answer is present in 74\% of retrieved subgraphs. This exposes a fundamental distinction between answer presence and answer reachability that end-to-end metrics cannot detect, and places the mitigation target firmly at the subgraph construction stage rather than the reasoning model. Perturbed datasets and evaluation infrastructure are released at https://anonymous.4open.science/r/atkgrag-E85C .

cs.CL↗

arXiv2026

Property-Guided Diffusion for Inverse Design of Crystalline Materials

Diffusion-based generative models with property guidance have emerged as a promising paradigm for inverse materials design by enabling the generation of crystalline materials with user-specified target properties. However, despite recent advances, the effectiveness of property guidance, its influence on crystallographic symmetry, and the physical viability of generated materials remain poorly understood. To address these questions, we develop a property-guided framework based on the lightweight diffusion model DiffCrysGen using parameter-efficient adapter fine-tuning and classifier-free guidance (CFG). The resulting framework enables efficient multi-property crystal generation while preserving the knowledge learned during unconditional pre-training. Using formation energy together with saturation magnetization and Vickers hardness as representative inverse-design tasks, we systematically investigate the influence of CFG across a broad range of guidance strengths. Increasing the guidance scale progressively steers the generated property distributions toward the prescribed targets while reducing the fraction of lowest-symmetry ($P1$) structures and increasing the proportion of higher-symmetry structures. To evaluate physical viability, generated structures are geometrically prescreened and subsequently validated using a machine-learning interatomic potential (MLIP)-based workflow comprising structural relaxation and thermodynamic, dynamical, and property-specific analyses. The framework identifies thermodynamically and dynamically stable magnetic and mechanically hard materials with overall success rates of 12.3\% and 3.9\%, respectively. These results establish property-guided DiffCrysGen as an efficient framework for inverse materials design while providing new insights into the role of classifier-free guidance in crystal generation.

cond-mat.mtrl-sci↗

arXiv2026

Attacking Graph Foundation Models Through Their Shared Representation

A graph foundation model generalizes across graph domains by mapping every input into one shared representation before any task reasoning. We call this map the alignment layer, the component that separates a graph foundation model from a graph neural network, and we show it is a distinct attack surface that prior work has not studied. We attack it at inference time, with no access to training, on six public models spanning spectral tokenizers, text embedding spaces, and a discrete codebook. A directed representation-space perturbation collapses every model, but at a budget comparable to the representation norm a plain graph network also needs, with one exception: OpenGraph, whose spectral tokenizer collapses at a fifth of that budget, an alignment-specific fragility a plain network does not share and which a same-representation control traces to the tokenizer rather than the decoder. A realizable input-space attack that edits edges, features, or text removes at least half the correct predictions on three of the six models at peak. How much of this fragility an input-access attacker realizes tracks how directly the decoder reads the representation, and not the clean accuracy a task leaves; we measure this carrier gain structurally from the decoder's local Lipschitz sensitivity, and report clean-accuracy headroom as a within-model ordering heuristic that does not survive on realizable attacks.

cs.AI↗

arXiv2026

Towards Metric-Faithful Neural Graph Matching

Graph Edit Distance (GED) is a fundamental, albeit NP-hard, metric for structural graph similarity. Recent neural graph matching architectures approximate GED by first encoding graphs with a Graph Neural Network (GNN) and then applying either a graph-level regression head or a matching-based alignment module. Despite substantial architectural progress, the role of encoder geometry in neural GED estimation remains poorly understood. In this paper, we develop a theoretical framework that connects encoder geometry to GED estimation quality for two broad classes of neural GED estimators: graph similarity predictors and alignment-based methods. On fixed graph collections, where the doubly-stochastic metric $d_{\mathrm{DS}}$ is comparable to GED, we show that graph-level bi-Lipschitz encoders yield controlled GED surrogates and improved ranking stability; for matching-based estimators, node-level bi-Lipschitz geometry propagates to encoder-induced alignment costs and the resulting optimized alignment objective. We instantiate this perspective using FSW-GNN, a bi-Lipschitz WL-equivalent encoder, as a drop-in replacement in representative neural GED architectures. Across representative baselines and benchmark datasets, the resulting geometry-aware variants significantly improve GED prediction and ranking metrics. A faithfulness case study of untrained encoders, together with ablations and transfer experiments, supports the view that these gains arise from improved representation geometry, positioning encoder geometry as a useful design principle for neural graph matching.

cs.LG↗

arXiv2026

GRAFT: Auditing Graph Neural Networks via Global Feature Attribution

Graph Neural Networks (GNNs) achieve strong performance on node classification tasks but remain difficult to interpret, particularly with respect to which input features drive their predictions. Existing global GNN explainers operate at the structural level identifying recurring subgraph motifs, but none explain model behaviour globally at the level of input node attributes. We propose GRAFT, a posthoc global explanation framework that identifies class-level feature importance profiles for GNNs. The method combines diversity-guided exemplar selection, Integrated Gradients-based attribution, and aggregation to construct a global view of feature influence for each class, which can be further expressed as concise natural language rules using a large language model with self-refinement. We evaluate GRAFT across multiple datasets, architectures, and experimental settings, demonstrating its effectiveness in capturing model-relevant features, supporting bias analysis, and enabling feature-efficient transfer learning. In addition, we introduce a structured human evaluation protocol to assess the interpretability of generated rules along dimensions such as accuracy and usefulness. Our results suggest that GRAFT provides a practical and interpretable approach for analysing feature-level behaviour in GNNs, bridging quantitative attribution with human-understandable explanations.

cs.LG↗

arXiv2026

Graph Reconstruction from Differentially Private GNN Explanations

Regulatory frameworks such as GDPR increasingly require that ML predictions be accompanied by post-hoc explanations, even when raw data and trained models cannot be released. Differential privacy (DP) is the standard mitigation for the residual privacy risk of releasing these explanations. We show that DP is not sufficient: an adversary observing only DP-perturbed GNN explanations can reconstruct hidden graph structure with high accuracy. Our attack, PRIVX, exploits the fact that the Gaussian DP mechanism is a single DDPM forward step at known noise level {\sigma}({\epsilon}), recasting reconstruction as reverse diffusion conditioned on the corrupted signal, a principled Bayesian denoiser under known DP corruption. We formalise a stratified adversary model parameterised by (M, \hat{\epsilon}, \hat{\delta}, S, \rho) that interpolates between oblivious and oracle attackers, and derive endpoint-matched two-sided bounds on reconstruction AUC. For practitioners, we provide regime-stratified guidance on explainer choice: on homophilic graphs, neighbourhood-aggregating explainers (GraphLIME, GNNExplainer) leak more structure than per-node gradient explainers under the same DP budget; on strongly heterophilic graphs the ordering reverses. We introduce PRIVF as an auxiliary diagnostic sharing the same diffusion backbone to decompose leakage into explainer-induced and intrinsic graph-distribution components. Experiments across seven benchmarks, three DP mechanisms, and three GNN backbones show PRIVX achieves AUC above 0.7 at {\epsilon} = 5 on five of seven datasets, with the attack succeeding well within typically deployed privacy budgets.

cs.LG↗

arXiv2026

mHC-GNN: Manifold-Constrained Hyper-Connections for Graph Neural Networks

Graph Neural Networks (GNNs) suffer from over-smoothing in deep architectures and expressiveness bounded by the 1-Weisfeiler-Leman (1-WL) test. We adapt Manifold-Constrained Hyper-Connections, recently proposed for Transformers, to graph neural networks. Our method, \mhcgnn{}, expands node representations across $n$ parallel streams and constrains stream-mixing matrices to the Birkhoff polytope of doubly stochastic matrices via Sinkhorn-Knopp normalization. We prove that \mhcgnn{} mitigates over-smoothing via a layer-wise residual lower bound showing that node-pair differences decay at rate $(1{-}\varepsilon)^L$ (where $\varepsilon$ measures deviation of the mixing matrix from identity), far slower than the standard $(1{-}\gamma)^L$ collapse rate driven by the spectral gap $\gamma$. This two-regime analysis, via the protected orthogonal subspace for $L < n$ and the layer-wise contraction for $L \geq n$, provides architecture-agnostic rate guarantees absent from prior methods. With independent random stream initialization, \mhcgnn{} can distinguish graphs beyond 1-WL by maintaining stream diversity across layers via doubly stochastic mixing. Depth experiments spanning 2 to 128 layers reveal that standard GNNs collapse to near-random performance beyond 16 layers, while \mhcgnn{} maintains over 74\% accuracy at 128 layers, with improvements exceeding 50 percentage points at extreme depths. Ablations confirm that manifold constraints are essential: removing them causes up to 82\% performance degradation. Experiments on heterophilic graphs (roman-empire, penn94, genius) and expressiveness benchmarks (EXP) further validate the contribution. Code is available at https://github.com/smishra-lab/mhc-gnn

cs.LG↗

arXiv2026

Clean-GS: Semantic Mask-Guided Pruning for 3D Gaussian Splatting

3D Gaussian Splatting produces high-quality scene reconstructions but generates hundreds of thousands of spurious Gaussians (floaters) scattered throughout the environment. These artifacts obscure objects of interest and inflate model sizes, hindering deployment in bandwidth-constrained applications. We present Clean-GS, a method for removing background clutter and floaters from 3DGS reconstructions using sparse semantic masks. Our approach combines whitelist-based spatial filtering with color-guided validation and outlier removal to achieve 60-80\% model compression while preserving object quality. Unlike existing 3DGS pruning methods that rely on global importance metrics, Clean-GS uses semantic information from as few as 3 segmentation masks (1\% of views) to identify and remove Gaussians not belonging to the target object. Our multi-stage approach consisting of (1) whitelist filtering via projection to masked regions, (2) depth-buffered color validation, and (3) neighbor-based outlier removal isolates monuments and objects from complex outdoor scenes. Experiments on Tanks and Temples show that Clean-GS reduces file sizes from 125MB to 47MB while maintaining rendering quality, making 3DGS models practical for web deployment and AR/VR applications. Our code is available at https://github.com/smlab-niser/clean-gs

cs.CV↗

arXiv2025

OpenProposal Platform for Transparent Research Funding Review

Research funding allocation remains a critical bottleneck in scientific advancement, yet the review process for funding proposals lacks the transparency that has revolutionized academic paper peer review. Traditional funding agencies operate with closed review systems, limiting accountability and preventing systematic improvements. We present OpenProposal, a proof-of-concept web-based platform that explores how transparency principles from OpenReview might be adapted to research funding proposal evaluation. Built using modern web technologies including Next.js , React , and Prisma , OpenProposal demonstrates the technical feasibility of public reviews, author rebuttals, and transparent decision-making while attempting to protect sensitive information such as budgets. Our platform prototype addresses key limitations identified in current funding systems by providing mechanisms for community engagement, reviewer accountability, and potential data-driven insights into peer review processes. Through system design and implementation, we explore how transparent funding review could potentially enhance scientific integrity and improve research funding decisions, though empirical validation remains necessary. This work contributes a technical foundation for transparent funding review and identifies design considerations for future research on peer review mechanisms in funding contexts.

cs.CY↗

arXiv2025

QGShap: Quantum Acceleration for Faithful GNN Explanations

Graph Neural Networks (GNNs) have become indispensable in critical domains such as drug discovery, social network analysis, and recommendation systems, yet their black-box nature hinders deployment in scenarios requiring transparency and accountability. While Shapley value-based methods offer mathematically principled explanations by quantifying each component's contribution to predictions, computing exact values requires evaluating $2^n$ coalitions (or aggregating over $n!$ permutations), which is intractable for real-world graphs. Existing approximation strategies sacrifice either fidelity or efficiency, limiting their practical utility. We introduce QGShap, a quantum computing approach that leverages amplitude amplification to achieve quadratic speedups in coalition evaluation while maintaining exact Shapley computation. Unlike classical sampling or surrogate methods, our approach provides fully faithful explanations without approximation trade-offs for tractable graph sizes. We conduct empirical evaluations on synthetic graph datasets, demonstrating that QGShap achieves consistently high fidelity and explanation accuracy, matching or exceeding the performance of classical methods across all evaluation metrics. These results collectively demonstrate that QGShap not only preserves exact Shapley faithfulness but also delivers interpretable, stable, and structurally consistent explanations that align with the underlying graph reasoning of GNNs. The implementation of QGShap is available at https://github.com/smlab-niser/qgshap.

quant-ph↗

arXiv2025

iWatchRoadv2: Pothole Detection, Geospatial Mapping, and Intelligent Road Governance

Road potholes pose significant safety hazards and maintenance challenges, particularly on India's diverse and under-maintained road networks. This paper presents iWatchRoadv2, a fully automated end-to-end platform for real-time pothole detection, GPS-based geotagging, and dynamic road health visualization using OpenStreetMap (OSM). We curated a self-annotated dataset of over 7,000 dashcam frames capturing diverse Indian road conditions, weather patterns, and lighting scenarios, which we used to fine-tune the Ultralytics YOLO model for accurate pothole detection. The system synchronizes OCR-extracted video timestamps with external GPS logs to precisely geolocate each detected pothole, enriching detections with comprehensive metadata, including road segment attribution and contractor information managed through an optimized backend database. iWatchRoadv2 introduces intelligent governance features that enable authorities to link road segments with contract metadata through a secure login interface. The system automatically sends alerts to contractors and officials when road health deteriorates, supporting automated accountability and warranty enforcement. The intuitive web interface delivers actionable analytics to stakeholders and the public, facilitating evidence-driven repair planning, budget allocation, and quality assessment. Our cost-effective and scalable solution streamlines frame processing and storage while supporting seamless public engagement for urban and rural deployments. By automating the complete pothole monitoring lifecycle, from detection to repair verification, iWatchRoadv2 enables data-driven smart city management, transparent governance, and sustainable improvements in road infrastructure maintenance. The platform and live demonstration are accessible at https://smlab.niser.ac.in/project/iwatchroad.

cs.CV↗

arXiv2025

DiffCrysGen: A Generative Diffusion Model for Accelerated Design of Inorganic Crystalline Materials

Efficient exploration of the vast chemical space is a fundamental challenge in materials design and discovery, particularly for designing functional inorganic crystalline materials with targeted properties. Diffusion-based generative models have emerged as a powerful route, but most existing approaches require domain-specific constraints and separate diffusion processes for atom types, atomic positions, and lattice parameters, adding complexity and limiting efficiency. Here, we present DiffCrysGen, a fully data-driven, score-based diffusion model that generates complete crystal structures in a single, end-to-end diffusion process. This unified framework simplifies the model architecture and accelerates sampling by two to three orders of magnitude compared to existing methods without compromising chemical and structural diversity of the generated materials. In order to demonstrate the efficacy of DiffCrysGen in generating valid and useful materials, using density functional theory (DFT), we validate a number of newly generated rare earth-free magnetic materials that are energetically and dynamically stable, and are potentially synthesizable. These include ferromagnets with high saturation magnetization and large magnetocrystalline anisotropy, as also metallic antiferromagnets. These results establish DiffCrysGen as a general platform for accelerated design of functional materials.

cond-mat.mtrl-sci↗

arXiv2025

QGraphLIME - Explaining Quantum Graph Neural Networks

Quantum graph neural networks offer a powerful paradigm for learning on graph-structured data, yet their explainability is complicated by measurement-induced stochasticity and the combinatorial nature of graph structure. In this paper, we introduce QuantumGraphLIME (QGraphLIME), a model-agnostic, post-hoc framework that treats model explanations as distributions over local surrogates fit on structure-preserving perturbations of a graph. By aggregating surrogate attributions together with their dispersion, QGraphLIME yields uncertainty-aware node and edge importance rankings for quantum graph models. The framework further provides a distribution-free, finite-sample guarantee on the size of the surrogate ensemble: a Dvoretzky-Kiefer-Wolfowitz bound ensures uniform approximation of the induced distribution of a binary class probability at target accuracy and confidence under standard independence assumptions. Empirical studies on controlled synthetic graphs with known ground truth demonstrate accurate and stable explanations, with ablations showing clear benefits of nonlinear surrogate modeling and highlighting sensitivity to perturbation design. Collectively, these results establish a principled, uncertainty-aware, and structure-sensitive approach to explaining quantum graph neural networks, and lay the groundwork for scaling to broader architectures and real-world datasets, as quantum resources mature. Code is available at https://github.com/smlab-niser/qglime.

cs.LG↗

arXiv2025

iWatchRoad: Scalable Detection and Geospatial Visualization of Potholes for Smart Cities

Potholes on the roads are a serious hazard and maintenance burden. This poses a significant threat to road safety and vehicle longevity, especially on the diverse and under-maintained roads of India. In this paper, we present a complete end-to-end system called iWatchRoad for automated pothole detection, Global Positioning System (GPS) tagging, and real time mapping using OpenStreetMap (OSM). We curated a large, self-annotated dataset of over 7,000 frames captured across various road types, lighting conditions, and weather scenarios unique to Indian environments, leveraging dashcam footage. This dataset is used to fine-tune, Ultralytics You Only Look Once (YOLO) model to perform real time pothole detection, while a custom Optical Character Recognition (OCR) module was employed to extract timestamps directly from video frames. The timestamps are synchronized with GPS logs to geotag each detected potholes accurately. The processed data includes the potholes' details and frames as metadata is stored in a database and visualized via a user friendly web interface using OSM. iWatchRoad not only improves detection accuracy under challenging conditions but also provides government compatible outputs for road assessment and maintenance planning through the metadata visible on the website. Our solution is cost effective, hardware efficient, and scalable, offering a practical tool for urban and rural road management in developing regions, making the system automated. iWatchRoad is available at https://smlab.niser.ac.in/project/iwatchroad

cs.CV↗

arXiv2025

ReconXF: Graph Reconstruction Attack via Public Feature Explanations on Privatized Node Features and Labels

Graph Neural Networks (GNNs) achieve high performance across many applications but function as black-box models, limiting their use in critical domains like healthcare and criminal justice. Explainability methods address this by providing feature-level explanations that identify important node attributes for predictions. These explanations create privacy risks. Combined with auxiliary information, feature explanations can enable adversaries to reconstruct graph structure, exposing sensitive relationships. Existing graph reconstruction attacks assume access to original auxiliary data, but practical systems use differential privacy to protect node features and labels while providing explanations for transparency. We study a threat model where adversaries access public feature explanations along with privatized node features and labels. We show that existing explanation-based attacks like GSEF perform poorly with privatized data due to noise from differential privacy mechanisms. We propose ReconXF, a graph reconstruction attack for scenarios with public explanations and privatized auxiliary data. Our method adapts explanation-based frameworks by incorporating denoising mechanisms that handle differential privacy noise while exploiting structural signals in explanations. Experiments across multiple datasets show ReconXF outperforms SoTA methods in privatized settings, with improvements in AUC and average precision. Results indicate that public explanations combined with denoising enable graph structure recovery even under the privacy protection of auxiliary data. Code is available at (link to be made public after acceptance).

cs.LG↗

arXiv2025

Robustness in Large Language Models: A Survey of Mitigation Strategies and Evaluation Metrics

Large Language Models (LLMs) have emerged as a promising cornerstone for the development of natural language processing (NLP) and artificial intelligence (AI). However, ensuring the robustness of LLMs remains a critical challenge. To address these challenges and advance the field, this survey provides a comprehensive overview of current studies in this area. First, we systematically examine the nature of robustness in LLMs, including its conceptual foundations, the importance of consistent performance across diverse inputs, and the implications of failure modes in real-world applications. Next, we analyze the sources of non-robustness, categorizing intrinsic model limitations, data-driven vulnerabilities, and external adversarial factors that compromise reliability. Following this, we review state-of-the-art mitigation strategies, and then we discuss widely adopted benchmarks, emerging metrics, and persistent gaps in assessing real-world reliability. Finally, we synthesize findings from existing surveys and interdisciplinary studies to highlight trends, unresolved issues, and pathways for future research.

cs.CL↗

arXiv2025

DiffCrysGen: A Score-Based Diffusion Model for Design of Diverse Inorganic Crystalline Materials

Crystal structure generation is a foundational challenge in materials discovery, particularly in designing functional inorganic crystalline materials with desired properties. Most existing diffusion-based generative models for crystals rely on complex, hand-crafted priors and modular architectures to separately model atom types, atomic positions, and lattice parameters. These methods often require customized diffusion processes and conditional denoising, which can introduce additional model complexities and inconsistencies. Here we introduce DiffCrysGen, a fully data-driven, score-based diffusion model that jointly learns the distribution of all structural components in crystalline materials. With crystal structure representation as unified 2D matrices, DiffCrysGen bypasses the need for task-specific priors or decoupled modules, enabling end-to-end generation of atom types, fractional coordinates, and lattice parameters within a single framework. Our model learns crystallographic symmetry and chemical validity directly from large-scale datasets, allowing it to scale to complex materials discovery tasks. As a demonstration, we applied DiffCrysGen to the design of rare-earth-free magnetic materials with high saturation magnetization, showing its effectiveness in generating stable, diverse, and property-aligned candidates for sustainable magnet applications.

cond-mat.mtrl-sci↗

arXiv2025

Retinal Fundus Multi-Disease Image Classification using Hybrid CNN-Transformer-Ensemble Architectures

Our research is motivated by the urgent global issue of a large population affected by retinal diseases, which are evenly distributed but underserved by specialized medical expertise, particularly in non-urban areas. Our primary objective is to bridge this healthcare gap by developing a comprehensive diagnostic system capable of accurately predicting retinal diseases solely from fundus images. However, we faced significant challenges due to limited, diverse datasets and imbalanced class distributions. To overcome these issues, we have devised innovative strategies. Our research introduces novel approaches, utilizing hybrid models combining deeper Convolutional Neural Networks (CNNs), Transformer encoders, and ensemble architectures sequentially and in parallel to classify retinal fundus images into 20 disease labels. Our overarching goal is to assess these advanced models' potential in practical applications, with a strong focus on enhancing retinal disease diagnosis accuracy across a broader spectrum of conditions. Importantly, our efforts have surpassed baseline model results, with the C-Tran ensemble model emerging as the leader, achieving a remarkable model score of 0.9166, surpassing the baseline score of 0.9. Additionally, experiments with the IEViT model showcased equally promising outcomes with improved computational efficiency. We've also demonstrated the effectiveness of dynamic patch extraction and the integration of domain knowledge in computer vision tasks. In summary, our research strives to contribute significantly to retinal disease diagnosis, addressing the critical need for accessible healthcare solutions in underserved regions while aiming for comprehensive and accurate disease prediction.

cs.CV↗