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Oct 27

Kairos: Practical Intrusion Detection and Investigation using Whole-system Provenance

Provenance graphs are structured audit logs that describe the history of a system's execution. Recent studies have explored a variety of techniques to analyze provenance graphs for automated host intrusion detection, focusing particularly on advanced persistent threats. Sifting through their design documents, we identify four common dimensions that drive the development of provenance-based intrusion detection systems (PIDSes): scope (can PIDSes detect modern attacks that infiltrate across application boundaries?), attack agnosticity (can PIDSes detect novel attacks without a priori knowledge of attack characteristics?), timeliness (can PIDSes efficiently monitor host systems as they run?), and attack reconstruction (can PIDSes distill attack activity from large provenance graphs so that sysadmins can easily understand and quickly respond to system intrusion?). We present KAIROS, the first PIDS that simultaneously satisfies the desiderata in all four dimensions, whereas existing approaches sacrifice at least one and struggle to achieve comparable detection performance. Kairos leverages a novel graph neural network-based encoder-decoder architecture that learns the temporal evolution of a provenance graph's structural changes to quantify the degree of anomalousness for each system event. Then, based on this fine-grained information, Kairos reconstructs attack footprints, generating compact summary graphs that accurately describe malicious activity over a stream of system audit logs. Using state-of-the-art benchmark datasets, we demonstrate that Kairos outperforms previous approaches.

  • 7 authors
·
Sep 27, 2023

ProvICS: A Provenance-based Intrusion Detection for Industrial Control Systems

The convergence of Information Technology and Operational Technology has exposed Industrial Control Systems (ICS) to multi-stage cyberattacks that traverse software, network, and physical process layers simultaneously. Although Provenance-based Intrusion Detection Systems (PIDS) are effective in Information Technology (IT) environments, their applicability to Industrial Cyber-Physical Systems (CPS) remains largely unexplored because of the absence of datasets that jointly capture host-level causal behavior, industrial network semantics, and physical process state. To address this gap, we design an open-source, Hardware-in-the-Loop (HIL) CPS testbed that replicates an industrial chemical reactor control architecture across the Purdue model layers. Using this testbed, we propose ProvICS, a multimodal provenance dataset purpose-built for CPS intrusion detection, which synchronously captures four streams: whole-system provenance graphs from the supervisory host and the resource-constrained PLC, decoded Modbus deep-packet inspection records, and physical process telemetry. The collection comprises a 48-hour benign phase and a 22-hour attack phase across four campaigns covering 20 ICS ATT&CK techniques over 32 attack events, ranging from reconnaissance to physical process manipulation. Comparative analysis shows that ProvICS is among the few existing ICS/CPS benchmarks with multi-host kernel-level provenance, real PLC hardware-in-the-loop execution, decoded Modbus traffic, physical process-state measurements, and auxiliary raw PCAP traces in a time-synchronized collection. Baseline detection further confirms that cross-modal fusion can detect all 32 labeled attack events (F1 = 0.913, false-positive rate (FPR) = 1.40%), demonstrating the dataset's ability to expose complementary attack signals across modalities and addressing a gap not covered by prior benchmarks.

  • 2 authors
·
Jul 6

NODLINK: An Online System for Fine-Grained APT Attack Detection and Investigation

Advanced Persistent Threats (APT) attacks have plagued modern enterprises, causing significant financial losses. To counter these attacks, researchers propose techniques that capture the complex and stealthy scenarios of APT attacks by using provenance graphs to model system entities and their dependencies. Particularly, to accelerate attack detection and reduce financial losses, online provenance-based detection systems that detect and investigate APT attacks under the constraints of timeliness and limited resources are in dire need. Unfortunately, existing online systems usually sacrifice detection granularity to reduce computational complexity and produce provenance graphs with more than 100,000 nodes, posing challenges for security admins to interpret the detection results. In this paper, we design and implement NodLink, the first online detection system that maintains high detection accuracy without sacrificing detection granularity. Our insight is that the APT attack detection process in online provenance-based detection systems can be modeled as a Steiner Tree Problem (STP), which has efficient online approximation algorithms that recover concise attack-related provenance graphs with a theoretically bounded error. To utilize STP approximation algorithm frameworks for APT attack detection, we propose a novel design of in-memory cache, an efficient attack screening method, and a new STP approximation algorithm that is more efficient than the conventional one in APT attack detection while maintaining the same complexity. We evaluate NodLink in a production environment. The open-world experiment shows that NodLink outperforms two state-of-the-art (SOTA) online provenance analysis systems by achieving magnitudes higher detection and investigation accuracy while having the same or higher throughput.

  • 9 authors
·
Nov 3, 2023

SSKG Hub: An Expert-Guided Platform for LLM-Empowered Sustainability Standards Knowledge Graphs

Sustainability disclosure standards (e.g., GRI, SASB, TCFD, IFRS S2) are comprehensive yet lengthy, terminology-dense, and highly cross-referential, hindering structured analysis and downstream use. We present SSKG Hub (Sustainability Standards Knowledge Graph Hub), a research prototype and interactive web platform that transforms standards into auditable knowledge graphs (KGs) through an LLM-centered, expert-guided pipeline. The system integrates automatic standard identification, configurable chunking, standard-specific prompting, robust triple parsing, and provenance-aware Neo4j storage with fine-grained audit metadata. LLM extraction produces a provenance-linked Draft KG, which is reviewed, curated, and formally promoted to a Certified KG through meta-expert adjudication. A role-based governance framework covering read-only guest access, expert review and CRUD operations, meta-expert certification, and administrative oversight ensures traceability and accountability across draft and certified states. Beyond graph exploration and triple-level evidence tracing, SSKG Hub supports cross-KG fusion, KG-driven tasks, and dedicated modules for insights and curated resources. We validate the platform through a comprehensive expert-led KG review case study that demonstrates end-to-end curation and quality assurance. The web application is publicly available at www.sskg-hub.com.

  • 13 authors
·
Feb 27

Institutional AI: Governing LLM Collusion in Multi-Agent Cournot Markets via Public Governance Graphs

Multi-agent LLM ensembles can converge on coordinated, socially harmful equilibria. This paper advances an experimental framework for evaluating Institutional AI, our system-level approach to AI alignment that reframes alignment from preference engineering in agent-space to mechanism design in institution-space. Central to this approach is the governance graph, a public, immutable manifest that declares legal states, transitions, sanctions, and restorative paths; an Oracle/Controller runtime interprets this manifest, attaching enforceable consequences to evidence of coordination while recording a cryptographically keyed, append-only governance log for audit and provenance. We apply the Institutional AI framework to govern the Cournot collusion case documented by prior work and compare three regimes: Ungoverned (baseline incentives from the structure of the Cournot market), Constitutional (a prompt-only policy-as-prompt prohibition implemented as a fixed written anti-collusion constitution, and Institutional (governance-graph-based). Across six model configurations including cross-provider pairs (N=90 runs/condition), the Institutional regime produces large reductions in collusion: mean tier falls from 3.1 to 1.8 (Cohen's d=1.28), and severe-collusion incidence drops from 50% to 5.6%. The prompt-only Constitutional baseline yields no reliable improvement, illustrating that declarative prohibitions do not bind under optimisation pressure. These results suggest that multi-agent alignment may benefit from being framed as an institutional design problem, where governance graphs can provide a tractable abstraction for alignment-relevant collective behavior.

  • 9 authors
·
Jan 19

GraphDART: Graph Distillation for Efficient Advanced Persistent Threat Detection

Cyber-physical-social systems (CPSSs) have emerged in many applications over recent decades, requiring increased attention to security concerns. The rise of sophisticated threats like Advanced Persistent Threats (APTs) makes ensuring security in CPSSs particularly challenging. Provenance graph analysis has proven effective for tracing and detecting anomalies within systems, but the sheer size and complexity of these graphs hinder the efficiency of existing methods, especially those relying on graph neural networks (GNNs). To address these challenges, we present GraphDART, a modular framework designed to distill provenance graphs into compact yet informative representations, enabling scalable and effective anomaly detection. GraphDART can take advantage of diverse graph distillation techniques, including classic and modern graph distillation methods, to condense large provenance graphs while preserving essential structural and contextual information. This approach significantly reduces computational overhead, allowing GNNs to learn from distilled graphs efficiently and enhance detection performance. Extensive evaluations on benchmark datasets demonstrate the robustness of GraphDART in detecting malicious activities across cyber-physical-social systems. By optimizing computational efficiency, GraphDART provides a scalable and practical solution to safeguard interconnected environments against APTs.

  • 7 authors
·
Jan 6, 2025

OCR-APT: Reconstructing APT Stories from Audit Logs using Subgraph Anomaly Detection and LLMs

Advanced Persistent Threats (APTs) are stealthy cyberattacks that often evade detection in system-level audit logs. Provenance graphs model these logs as connected entities and events, revealing relationships that are missed by linear log representations. Existing systems apply anomaly detection to these graphs but often suffer from high false positive rates and coarse-grained alerts. Their reliance on node attributes like file paths or IPs leads to spurious correlations, reducing detection robustness and reliability. To fully understand an attack's progression and impact, security analysts need systems that can generate accurate, human-like narratives of the entire attack. To address these challenges, we introduce OCR-APT, a system for APT detection and reconstruction of human-like attack stories. OCR-APT uses Graph Neural Networks (GNNs) for subgraph anomaly detection, learning behavior patterns around nodes rather than fragile attributes such as file paths or IPs. This approach leads to a more robust anomaly detection. It then iterates over detected subgraphs using Large Language Models (LLMs) to reconstruct multi-stage attack stories. Each stage is validated before proceeding, reducing hallucinations and ensuring an interpretable final report. Our evaluations on the DARPA TC3, OpTC, and NODLINK datasets show that OCR-APT outperforms state-of-the-art systems in both detection accuracy and alert interpretability. Moreover, OCR-APT reconstructs human-like reports that comprehensively capture the attack story.

  • 3 authors
·
Oct 19, 2025

Autonomous Agents Coordinating Distributed Discovery Through Emergent Artifact Exchange

We present ScienceClaw + Infinite, a framework for autonomous scientific investigation in which independent agents conduct research without central coordination, and any contributor can deploy new agents into a shared ecosystem. The system is built around three components: an extensible registry of over 300 interoperable scientific skills, an artifact layer that preserves full computational lineage as a directed acyclic graph (DAG), and a structured platform for agent-based scientific discourse with provenance-aware governance. Agents select and chain tools based on their scientific profiles, produce immutable artifacts with typed metadata and parent lineage, and broadcast unsatisfied information needs to a shared global index. The ArtifactReactor enables plannerless coordination: peer agents discover and fulfill open needs through pressure-based scoring, while schema-overlap matching triggers multi-parent synthesis across independent analyses. An autonomous mutation layer actively prunes the expanding artifact DAG to resolve conflicting or redundant workflows, while persistent memory allows agents to continuously build upon complex epistemic states across multiple cycles. Infinite converts these outputs into auditable scientific records through structured posts, provenance views, and machine-readable discourse relations, with community feedback steering subsequent investigation cycles. Across four autonomous investigations, peptide design for the somatostatin receptor SSTR2, lightweight impact-resistant ceramic screening, cross-domain resonance bridging biology, materials, and music, and formal analogy construction between urban morphology and grain-boundary evolution, the framework demonstrates heterogeneous tool chaining, emergent convergence among independently operating agents, and traceable reasoning from raw computation to published finding.

Utilizing Provenance as an Attribute for Visual Data Analysis: A Design Probe with ProvenanceLens

Analytic provenance can be visually encoded to help users track their ongoing analysis trajectories, recall past interactions, and inform new analytic directions. Despite its significance, provenance is often hardwired into analytics systems, affording limited user control and opportunities for self-reflection. We thus propose modeling provenance as an attribute that is available to users during analysis. We demonstrate this concept by modeling two provenance attributes that track the recency and frequency of user interactions with data. We integrate these attributes into a visual data analysis system prototype, ProvenanceLens, wherein users can visualize their interaction recency and frequency by mapping them to encoding channels (e.g., color, size) or applying data transformations (e.g., filter, sort). Using ProvenanceLens as a design probe, we conduct an exploratory study with sixteen users to investigate how these provenance-tracking affordances are utilized for both decision-making and self-reflection. We find that users can accurately and confidently answer questions about their analysis, and we show that mismatches between the user's mental model and the provenance encodings can be surprising, thereby prompting useful self-reflection. We also report on the user strategies surrounding these affordances, and reflect on their intuitiveness and effectiveness in representing provenance.

  • 5 authors
·
May 16, 2025

VeriGraph: Towards Verifiable Data-Analytic Agents

LLM-based agents have demonstrated strong capabilities in data-intensive analytical tasks, yet their outputs are rarely verifiable: a reliance on linear text trajectories makes their reasoning difficult to audit. In particular, deterministic computations over raw data and semantic deductions over natural-language claims are often entangled in an unstructured stream, leaving numerical conclusions hard to reproduce and qualitative judgments hard to inspect. To address this, we propose VeriGraph, a traceable neuro-symbolic reasoning framework that enables agents to construct an explicit heterogeneous evidence directed acyclic graph (DAG) during execution. VeriGraph introduces three evidence-expansion primitives, namely computational, grounding, and derivational expansion, to connect raw data, interpreter variables, computed results, and natural-language claims in a unified graph. Under this formulation, structural traceability is reduced to graph reachability from raw data sources to terminal claims, while semantic support is measured by claim-level evidence evaluation. To improve graph construction, we further design a graph-based policy optimization strategy with a composite reward that jointly supervises answer correctness, computational integrity, and derivational coherence. Experiments on four benchmarks show that VeriGraph-8B achieves the highest overall score among all baselines. More importantly, VeriGraph produces auditable evidence graphs with substantially stronger claim grounding, achieving a 87.61\% Grounding Rate under our claim-level evidence support evaluation. These results suggest that explicit evidence-graph construction is a promising path toward verifiable data-analytic agents. Our code is available at https://github.com/ignorejjj/VeriGraph.

  • 8 authors
·
Jun 14

Experience Graphs: The Data Foundation for Self-Improving Agents

The database community has repeatedly advanced the state of the art by recognizing that new workloads demand new system architectures. We argue that long-horizon agentic tasks -- code generation, scientific discovery, hardware design -- are such a workload. These agents explore: they generate artifacts, execute tools, observe failures, branch, and repair over hundreds of steps. This search produces a structured object we call an experience graph: executable artifacts, tool outputs, rewards, sibling comparisons, and causal lineage. Yet existing agent frameworks treat this experience as disposable state -- JSON checkpoints and session logs that cannot be recovered after a crash, queried across users, or materialized into training data. We propose Trellis: a data foundation that treats the experience graph as first-class, governed, queryable database state. The core insight is that search over experience graphs is a database access pattern. Frontier selection is a query, cross-session reuse is vector-seeded graph retrieval, training-data extraction is a materialized view, and reconstructing what an agent knew at any past step is a time-travel query. When the database owns the experience graph, agents become stateless compute, and crash recovery, horizontal scaling, and a closed-loop training flywheel emerge as architectural byproducts. We ground the design in KernelEvolve, a production accelerator-kernel optimizer at Meta, where cross-session reuse reaches a target speedup roughly 10x faster at 52% lower token cost. More broadly, Trellis turns inference-time search from disposable computation into a durable institutional asset: logs made databases reliable; experience graphs may make agents cumulative.

  • 25 authors
·
Jun 28

Peregrine: A Pattern-Aware Graph Mining System

Graph mining workloads aim to extract structural properties of a graph by exploring its subgraph structures. General purpose graph mining systems provide a generic runtime to explore subgraph structures of interest with the help of user-defined functions that guide the overall exploration process. However, the state-of-the-art graph mining systems remain largely oblivious to the shape (or pattern) of the subgraphs that they mine. This causes them to: (a) explore unnecessary subgraphs; (b) perform expensive computations on the explored subgraphs; and, (c) hold intermediate partial subgraphs in memory; all of which affect their overall performance. Furthermore, their programming models are often tied to their underlying exploration strategies, which makes it difficult for domain users to express complex mining tasks. In this paper, we develop Peregrine, a pattern-aware graph mining system that directly explores the subgraphs of interest while avoiding exploration of unnecessary subgraphs, and simultaneously bypassing expensive computations throughout the mining process. We design a pattern-based programming model that treats "graph patterns" as first class constructs and enables Peregrine to extract the semantics of patterns, which it uses to guide its exploration. Our evaluation shows that Peregrine outperforms state-of-the-art distributed and single machine graph mining systems, and scales to complex mining tasks on larger graphs, while retaining simplicity and expressivity with its "pattern-first" programming approach.

  • 3 authors
·
Apr 5, 2020

PIPE-Cypher: Automatic Enterprise Benchmark Generation for Text-to-Cypher Systems

Enterprise property graphs vary widely in schema structure, internal terminology, domain assumptions, governance constraints, and user interaction patterns. A deployment-relevant Text2Cypher benchmark therefore reflects the questions users and agents actually ask of that graph. Creating such a benchmark is difficult because schemas and values are unique, and graph structure changes over time. Each NL-query pair must also be executable, use real graph entities, preserve diversity, and remain balanced across query types and difficulty levels. We present PIPE-Cypher, a local benchmark-generation pipeline that turns a live property graph and optional seed queries from customer questions, analyst logs, or agent tool calls into balanced NL-to-Cypher benchmarks. PIPE-Cypher combines schema profiling, reverse-query grounding, constrained generation, deterministic Cypher governance, execution validation, redaction, diversity controls, and a calibrated local LLM judge. Using local Qwen3.5-9B generation and judging, PIPE-Cypher exports 3,000 accepted FinBench/SNB examples, completes three audited ablation suites, calibrates judge behavior with human labels, and evaluates 11 local downstream models. The resulting benchmark is deliberately discriminative: zero-shot transfer is weak, while a few-shot control shows that schema-specific example banks can help compatible model families. Together, PIPE-Cypher makes Text2Cypher benchmarking a repeatable process that evolves with the graph, its users, and its target workloads.

Understanding Graph Databases: A Comprehensive Tutorial and Survey

This tutorial serves as a comprehensive guide for understanding graph databases, focusing on the fundamentals of graph theory while showcasing practical applications across various fields. It starts by introducing foundational concepts and delves into the structure of graphs through nodes and edges, covering different types such as undirected, directed, weighted, and unweighted graphs. Key graph properties, terminologies, and essential algorithms for network analysis are outlined, including Dijkstras shortest path algorithm and methods for calculating node centrality and graph connectivity. The tutorial highlights the advantages of graph databases over traditional relational databases, particularly in efficiently managing complex, interconnected data. It examines leading graph database systems such as Neo4j, Amazon Neptune, and ArangoDB, emphasizing their unique features for handling large datasets. Practical instructions on graph operations using NetworkX and Neo4j are provided, covering node and edge creation, attribute assignment, and advanced queries with Cypher. Additionally, the tutorial explores common graph visualization techniques using tools like Plotly and Neo4j Bloom, which enhance the interpretation and usability of graph data. It also delves into community detection algorithms, including the Louvain method, which facilitates clustering in large networks. Finally, the paper concludes with recommendations for researchers interested in exploring the vast potential of graph technologies.

  • 3 authors
·
Nov 15, 2024

GraphForge: Training Working Agents with Graph-Anchored Workspace Synthesis

Working agents need to read diverse files, coordinate tools, and produce deliverables. Training such agents requires tasks built on many real files with verifiable results, but few pipelines exist to synthesize this kind of data. Existing pipelines either generate files with models, which lack realism and diversity, or build tasks on real files without task-specific verifiers, leaving result quality unchecked. We introduce GraphForge, an evidence-graph based framework that grounds both the task and its verification in real files. Starting from occupation-grounded seeds for controlled diversity, GraphForge assembles a workspace of real files for each seed and builds an evidence graph over their relations. Since the task statement and rubrics are both derived from this graph, task requirements are backed by the workspace files and each criterion is anchored to the files needed to verify it. An initial rollout further tests executability, and a revision agent repairs the task and rubrics against the original files before trajectories are collected. Fine-tuning Qwen3.6-27B on 2,169 GraphForge trajectories brings GDPVal to 1445.7 (+65.7) under OpenHands, and Workspace-Bench-Lite and SpreadsheetBench II to 63.7 (+7.7) and 24.0 (+13.7) under Claude Code. Rejection fine-tuning on the SFT model's own rollouts, with candidates selected by the evidence-anchored rubrics, yields further improvements on all three benchmarks, suggesting that the rubrics provide a useful selection signal. The data and models are available.

The World Won't Stay Still: Programmable Evolution for Agent Benchmarks

LLM-powered tool-calling agents fulfill user requests by interacting with environments, querying data, and invoking tools in a multi-turn process. Yet, most existing benchmarks evaluate these systems under static environment interfaces, with fixed schemas and toolsets, making it difficult to assess how agents behave as environments evolves -- when capabilities are added, reorganized, or deprecated across successive environment versions. In this paper, we study structured environment evolution as a benchmark-construction problem for tool-calling agents. We propose ProEvolve, a graph-based framework that makes environment evolution programmable. At its core, a typed relational graph provides a unified, explicit representation of the environment - data, tools, and schema. Under this formalism, adding, removing, or modifying capabilities are expressed as graph transformations that coherently propagate updates across tools, schemas, and data access. Building on this, ProEvolve supports (1) automatic generation of evolved executable environments through explicit graph transformations, and (2) graph-grounded construction of task sandboxes via subgraph sampling and instantiation. We validate ProEvolve in two tool-calling domains, e-commerce and airline booking, in terms of quality, implementation validity, and failure modes. Finally, we use the generated benchmark as a downstream diagnostic to study how representative agents behave under structured environment evolution.

  • 14 authors
·
May 18

GraphTracer: Graph-Guided Failure Tracing in LLM Agents for Robust Multi-Turn Deep Search

Multi-agent systems powered by Large Language Models excel at complex tasks through coordinated collaboration, yet they face high failure rates in multi-turn deep search scenarios. Existing temporal attribution methods struggle to accurately diagnose root causes, particularly when errors propagate across multiple agents. Attempts to automate failure attribution by analyzing action sequences remain ineffective due to their inability to account for information dependencies that span agents. This paper identifies two core challenges: (i) distinguishing symptoms from root causes in multi-agent error propagation, and (ii) tracing information dependencies beyond temporal order. To address these issues, we introduce GraphTracer, a framework that redefines failure attribution through information flow analysis. GraphTracer constructs Information Dependency Graphs (IDGs) to explicitly capture how agents reference and build on prior outputs. It localizes root causes by tracing through these dependency structures instead of relying on temporal sequences. GraphTracer also uses graph-aware synthetic data generation to target critical nodes, creating realistic failure scenarios. Evaluations on the Who\&When benchmark and integration into production systems demonstrate that GraphTracer-8B achieves up to 18.18\% higher attribution accuracy compared to state-of-the-art models and enables 4.8\% to 14.2\% performance improvements in deployed multi-agent frameworks, establishing a robust solution for multi-agent system debugging.

  • 8 authors
·
Oct 12, 2025 2

Tracing the Roots: A Multi-Agent Framework for Uncovering Data Lineage in Post-Training LLMs

Post-training data plays a pivotal role in shaping the capabilities of Large Language Models (LLMs), yet datasets are often treated as isolated artifacts, overlooking the systemic connections that underlie their evolution. To disentangle these complex relationships, we introduce the concept of data lineage to the LLM ecosystem and propose an automated multi-agent framework to reconstruct the evolutionary graph of dataset development. Through large-scale lineage analysis, we characterize domain-specific structural patterns, such as vertical refinement in math-oriented datasets and horizontal aggregation in general-domain corpora. Moreover, we uncover pervasive systemic issues, including structural redundancy induced by implicit dataset intersections and the propagation of benchmark contamination along lineage paths. To demonstrate the practical value of lineage analysis for data construction, we leverage the reconstructed lineage graph to create a lineage-aware diversity-oriented dataset. By anchoring instruction sampling at upstream root sources, this approach mitigates downstream homogenization and hidden redundancy, yielding a more diverse post-training corpus. We further highlight lineage-centric analysis as an efficient and robust topological alternative to sample-level dataset comparison for large-scale data ecosystems. By grounding data construction in explicit lineage structures, our work advances post-training data curation toward a more systematic and controllable paradigm.

Can Large Language Models Analyze Graphs like Professionals? A Benchmark, Datasets and Models

The need to analyze graphs is ubiquitous across various fields, from social networks to biological research and recommendation systems. Therefore, enabling the ability of large language models (LLMs) to process graphs is an important step toward more advanced general intelligence. However, current LLM benchmarks on graph analysis require models to directly reason over the prompts describing graph topology, and are thus limited to small graphs with only a few dozens of nodes. In contrast, human experts typically write programs based on popular libraries for task solving, and can thus handle graphs with different scales. To this end, a question naturally arises: can LLMs analyze graphs like professionals? In this paper, we introduce ProGraph, a manually crafted benchmark containing 3 categories of graph tasks. The benchmark expects solutions based on programming instead of directly reasoning over raw inputs. Our findings reveal that the performance of current LLMs is unsatisfactory, with the best model achieving only 36% accuracy. To bridge this gap, we propose LLM4Graph datasets, which include crawled documents and auto-generated codes based on 6 widely used graph libraries. By augmenting closed-source LLMs with document retrieval and fine-tuning open-source ones on the codes, we show 11-32% absolute improvements in their accuracies. Our results underscore that the capabilities of LLMs in handling structured data are still under-explored, and show the effectiveness of LLM4Graph in enhancing LLMs' proficiency of graph analysis. The benchmark, datasets and enhanced open-source models are available at https://github.com/BUPT-GAMMA/ProGraph.

  • 12 authors
·
Sep 29, 2024

RDB2G-Bench: A Comprehensive Benchmark for Automatic Graph Modeling of Relational Databases

Relational databases (RDBs) are composed of interconnected tables, where relationships between them are defined through foreign keys. Recent research on applying machine learning to RDBs has explored graph-based representations of RDBs, where rows of tables are modeled as nodes, and foreign key relationships are modeled as edges. RDB-to-graph modeling helps capture cross-table dependencies, ultimately leading to enhanced performance across diverse tasks. However, there are numerous ways to model RDBs as graphs, and performance varies significantly depending on the chosen graph model. In our analysis, applying a common heuristic rule for graph modeling leads to up to a 10% drop in performance compared to the best-performing graph model, which remains non-trivial to identify. To foster research on intelligent RDB-to-graph modeling, we introduce RDB2G-Bench, the first benchmark framework for evaluating such methods. We construct extensive datasets covering 5 real-world RDBs and 12 predictive tasks, resulting in around 50k graph-performance pairs for efficient and reproducible evaluations. Thanks to our precomputed datasets, we were able to benchmark 9 automatic RDB-to-graph modeling methods on the 12 tasks over 600x faster than on-the-fly evaluation, which requires repeated model training. Our analysis of the datasets and benchmark results reveals key structural patterns affecting graph model effectiveness, along with practical implications for effective graph modeling.

kaistdata KAIST Data Mining Lab
·
Jun 2, 2025

GraphSkill: Documentation-Guided Hierarchical Retrieval-Augmented Coding for Complex Graph Reasoning

The growing demand for automated graph algorithm reasoning has attracted increasing attention in the large language model (LLM) community. Recent LLM-based graph reasoning methods typically decouple task descriptions from graph data, generate executable code augmented by retrieval from technical documentation, and refine the code through debugging. However, we identify two key limitations in existing approaches: (i) they treat technical documentation as flat text collections and ignore its hierarchical structure, leading to noisy retrieval that degrades code generation quality; and (ii) their debugging mechanisms focus primarily on runtime errors, yet ignore more critical logical errors. To address them, we propose {\method}, an agentic hierarchical retrieval-augmented coding framework that exploits the document hierarchy through top-down traversal and early pruning, together with a self-debugging coding agent that iteratively refines code using automatically generated small-scale test cases. To enable comprehensive evaluation of complex graph reasoning, we introduce a new dataset, {\dataset}, covering small-scale, large-scale, and composite graph reasoning tasks. Extensive experiments demonstrate that our method achieves higher task accuracy and lower inference cost compared to baselinesThe code is available at \href{https://github.com/FairyFali/GraphSkill{blue{https://github.com/FairyFali/GraphSkill}}.}.

  • 6 authors
·
Feb 20

Intern-Atlas: A Methodological Evolution Graph as Research Infrastructure for AI Scientists

Existing research infrastructure is fundamentally document-centric, providing citation links between papers but lacking explicit representations of methodological evolution. In particular, it does not capture the structured relationships that explain how and why research methods emerge, adapt, and build upon one another. With the rise of AI-driven research agents as a new class of consumers of scientific knowledge, this limitation becomes increasingly consequential, as such agents cannot reliably reconstruct method evolution topologies from unstructured text. We introduce Intern-Atlas, a methodological evolution graph that automatically identifies method-level entities, infers lineage relationships among methodologies, and captures the bottlenecks that drive transitions between successive innovations. Built from 1,030,314 papers spanning AI conferences, journals, and arXiv preprints, the resulting graph comprises 9,410,201 semantically typed edges, each grounded in verbatim source evidence, forming a queryable causal network of methodological development. To operationalize this structure, we further propose a self-guided temporal tree search algorithm for constructing evolution chains that trace the progression of methods over time. We evaluate the quality of the resulting graph against expert-curated ground-truth evolution chains and observe strong alignment. In addition, we demonstrate that Intern-Atlas enables downstream applications in idea evaluation and automated idea generation. We position methodological evolution graphs as a foundational data layer for the emerging automated scientific discovery.

  • 13 authors
·
Apr 29 4

OptimusKG: Unifying biomedical knowledge in a modern multimodal graph

Biomedical knowledge graphs (KGs) are widely used in the life sciences, yet many are derived from unstructured documents and therefore lack schema-level constrains, whereas graphs assembled from structured resources are difficult to harmonize into a unified representation. We present OptimusKG, a multimodal biomedical labeled property graph (LPG) built from structured and semi-structured resources to preserve factual, type-specific metadata across molecular, anatomical, clinical, and environmental domains. OptimusKG contains 190,531 nodes across 10 entity types, 21,813,816 edges across 26 relation types, and 67,249,863 property instances encoding 110,276,843 values across 150 distinct property keys, derived from 18 ontologies and controlled vocabularies. The graph enforces a top-level schema for nodes and edges and retains granular, type-specific properties, cross-references, and provenance across molecular, anatomical, clinical, and environmental domains. We assessed the validity of OptimusKG by evaluating whether graph relationships are supported by evidence from the scientific literature using a multimodal agent, PaperQA3. PaperQA3 identified supporting evidence for 70.0% of sampled edges, whereas 83.4% of sampled false edges received no supporting evidence. Edges without literature support were concentrated in associations derived from experimental and functional genomics resources, suggesting that OptimusKG captures biomedical knowledge that may precede synthesis in the scientific literature. OptimusKG is distributed as Apache Parquet files, providing a standardized resource for graph-based machine learning, knowledge-grounded retrieval with large language models, and biomedical discovery use cases such as hypothesis generation.

  • 8 authors
·
Apr 28

BOND: Benchmarking Unsupervised Outlier Node Detection on Static Attributed Graphs

Detecting which nodes in graphs are outliers is a relatively new machine learning task with numerous applications. Despite the proliferation of algorithms developed in recent years for this task, there has been no standard comprehensive setting for performance evaluation. Consequently, it has been difficult to understand which methods work well and when under a broad range of settings. To bridge this gap, we present--to the best of our knowledge--the first comprehensive benchmark for unsupervised outlier node detection on static attributed graphs called BOND, with the following highlights. (1) We benchmark the outlier detection performance of 14 methods ranging from classical matrix factorization to the latest graph neural networks. (2) Using nine real datasets, our benchmark assesses how the different detection methods respond to two major types of synthetic outliers and separately to "organic" (real non-synthetic) outliers. (3) Using an existing random graph generation technique, we produce a family of synthetically generated datasets of different graph sizes that enable us to compare the running time and memory usage of the different outlier detection algorithms. Based on our experimental results, we discuss the pros and cons of existing graph outlier detection algorithms, and we highlight opportunities for future research. Importantly, our code is freely available and meant to be easily extendable: https://github.com/pygod-team/pygod/tree/main/benchmark

  • 15 authors
·
Oct 15, 2022

ARISE: A Repository-level Graph Representation and Toolset for Agentic Fault Localization and Program Repair

Repository-level fault localization (FL) and automated program repair (APR) require an agent to identify the relevant code units across files, follow call and data dependencies, and generate a valid patch. Existing graph-based systems provide structural representations of repositories (files, classes, functions and their relationships) but do not model how variable values flow within procedures, leaving agents without the semantic precision needed for function- and line-level localization. We present ARISE (Agentic Repository-level Issue Solving Engine), which augments an LLM-based agent with a multi-granularity program graph that extends structural relationships down to statement-level nodes connected by intra-procedural definition-use edges. ARISE exposes this graph through a three-tier tool API, which brings data-flow slicing as a first-class, queryable agent primitive that allows the model to trace, in a single call, which statements define or consume a variable of interest. We evaluate on SWE-bench Lite (300 real GitHub issues, 11 Python repositories) using Qwen2.5-Coder-32B-Instruct as the backbone. Compared to the unmodified SWE-agent baseline, ARISE improves Function Recall@1 by 17.0 points and Line Recall@1 by 15.0 points. These localization gains translate directly into repair success, with ARISE achieving 22.0% Pass@1 (66/300), a 4.7 percentage-point improvement over SWE-agent. Controlled ablations confirm that the improvement is driven by the data-flow graph rather than the tool schema, and that large code models consume structured slice output directly without requiring a natural-language summarization layer. The graph builder and slicing API are designed as a framework-agnostic, drop-in toolset for future APR research.

  • 2 authors
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May 3

TGB 2.0: A Benchmark for Learning on Temporal Knowledge Graphs and Heterogeneous Graphs

Multi-relational temporal graphs are powerful tools for modeling real-world data, capturing the evolving and interconnected nature of entities over time. Recently, many novel models are proposed for ML on such graphs intensifying the need for robust evaluation and standardized benchmark datasets. However, the availability of such resources remains scarce and evaluation faces added complexity due to reproducibility issues in experimental protocols. To address these challenges, we introduce Temporal Graph Benchmark 2.0 (TGB 2.0), a novel benchmarking framework tailored for evaluating methods for predicting future links on Temporal Knowledge Graphs and Temporal Heterogeneous Graphs with a focus on large-scale datasets, extending the Temporal Graph Benchmark. TGB 2.0 facilitates comprehensive evaluations by presenting eight novel datasets spanning five domains with up to 53 million edges. TGB 2.0 datasets are significantly larger than existing datasets in terms of number of nodes, edges, or timestamps. In addition, TGB 2.0 provides a reproducible and realistic evaluation pipeline for multi-relational temporal graphs. Through extensive experimentation, we observe that 1) leveraging edge-type information is crucial to obtain high performance, 2) simple heuristic baselines are often competitive with more complex methods, 3) most methods fail to run on our largest datasets, highlighting the need for research on more scalable methods.

  • 12 authors
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Oct 17, 2024

ProfileFoundry: A Synthetic Person-Object Substrate for Privacy, Memory, and Tool-Use Evaluation in LLM Agent

Foundation-model research increasingly needs data about people: user state, personal histories, relationships, contact-like fields, documents, and longitudinal updates. Real user data is difficult to share, perturb, audit, or redistribute responsibly, while independently generated fake fields rarely preserve the cross-field and temporal consistency needed for controlled evaluation. We present PROFILEFOUNDRY, a deterministic generator and fixed reference release of 100,000 adult synthetic Person Objects across eight locales. Each object combines a typed current snapshot, household, family, and employer links, snapshot-aligned events, normalized relational views, and generation provenance. The release contains 709,228 events, 40,338 households, 52,491 employers, and 518,564 directed relationship edges. We report evidence in separate categories: selected population-marginal comparisons, per-object invariant checks, release-wide referential and temporal closure, and coincidence/provenance screens. PROFILEFOUNDRY is not a population-fidelity model, a rendered-text corpus, or a formal privacy mechanism. Instead, it is a responsible synthetic source layer for constructing downstream foundation-model evaluations involving memory, privacy, document understanding, record linkage, and agent state while keeping the synthetic person behind each artifact inspectable

  • 2 authors
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Jun 23

OntoKG: Ontology-Oriented Knowledge Graph Construction with Intrinsic-Relational Routing

Organizing a large-scale knowledge graph into a typed property graph requires structural decisions -- which entities become nodes, which properties become edges, and what schema governs these choices. Existing approaches embed these decisions in pipeline code or extract relations ad hoc, producing schemas that are tightly coupled to their construction process and difficult to reuse for downstream ontology-level tasks. We present an ontology-oriented approach in which the schema is designed from the outset for ontology analysis, entity disambiguation, domain customization, and LLM-guided extraction -- not merely as a byproduct of graph building. The core mechanism is intrinsic-relational routing, which classifies every property as either intrinsic or relational and routes it to the corresponding schema module. This routing produces a declarative schema that is portable across storage backends and independently reusable. We instantiate the approach on the January 2026 Wikidata dump. A rule-based cleaning stage identifies a 34.6M-entity core set from the full dump, followed by iterative intrinsic-relational routing that assigns each property to one of 94 modules organized into 8 categories. With tool-augmented LLM support and human review, the schema reaches 93.3% category coverage and 98.0% module assignment among classified entities. Exporting this schema yields a property graph with 34.0M nodes and 61.2M edges across 38 relationship types. We validate the ontology-oriented claim through five applications that consume the schema independently of the construction pipeline: ontology structure analysis, benchmark annotation auditing, entity disambiguation, domain customization, and LLM-guided extraction.

  • 4 authors
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Apr 2

TopoGraphRAG-Bench: Evaluating Multimodal GraphRAG on Layout-Grounded Evidence Reasoning

Real-world documents distribute evidence across text, tables, figures, and captions within complex page layouts. Answering complex questions over such documents therefore requires more than retrieving relevant passages: systems must recover the evidence topology that connects heterogeneous evidence units. Existing GraphRAG evaluations remain largely text-centered, while multimodal document RAG benchmarks assess cross-modal retrieval and generation without directly evaluating recovery of the intended evidence topology. We introduce TOPOGRAPHRAG-BENCH, a layout-grounded benchmark for multimodal evidence reasoning in GraphRAG, comprising 2,024 questions over 201 long, visually rich documents. Questions are constructed bottom-up from text, figure, and table evidence units under three controlled topologies: single-hop retrieval, bridge-chain reasoning, and multi-source synthesis. To ensure that questions preserve their intended structure, we apply counterfactual validation for shortcut resistance, modality necessity, and evidence necessity. We evaluate text-only GraphRAG, page-level visual retrieval, and multimodal GraphRAG systems using retrieval, generation, and topology-aware reasoning metrics. Multimodal GraphRAG systems achieve the strongest overall performance, but still fail when visual-textual evidence alignment or multi-unit composition is incomplete. Text-only GraphRAG struggles when key dependencies are grounded in figures or tables, while page-level visual retrieval lacks the fine-grained structure needed for topology recovery. These findings motivate GraphRAG systems that move beyond text-derived entity relation graphs to explicitly model document layouts, cross-modal evidence alignment, and the reasoning roles of evidence units. Code and data are available at https://richardlrc.github.io/TopoGraphRAG-Bench/.

  • 7 authors
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Oct 6

Which Models Are Our Models Built On? Auditing Invisible Dependencies in Modern LLMs

Modern LLM training pipelines increasingly rely on other models to generate data, filter corpora, judge outputs, and guide development decisions. These dependencies are recursive: a model may depend on an upstream artifact whose own dependencies are documented only in separate releases and artifacts. As a result, the full dependency structure is fragmented across heterogeneous public artifacts, with complexity and recursive depth far outpacing humans' ability to trace. We introduce ModSleuth, an agentic system that recursively reconstructs LLM dependency graphs from public artifacts with source-grounded evidence. We find that the primary challenge is no longer information extraction, but defining what constitutes a dependency and reconciling artifact references across inconsistent documentation. We address these challenges through a formalization that distinguishes direct and indirect dependencies, represents heterogeneous pipeline roles through operation-centered relationships, and resolves artifact identities across names, versions, and repositories. Applying ModSleuth to four public-artifact-rich LLM releases, we recover 1,060 source-verified dependencies and construct large-scale dependency graphs of modern LLM development. These graphs reveal multi-hop license obligations, train-evaluation coupling, discrepancies between released and training-time artifacts, and documentation inconsistencies that would otherwise be difficult to uncover. We release ModSleuth and the resulting dependency graphs to support transparent analysis of the increasingly complex ecosystems underlying modern LLMs.

  • 3 authors
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Jun 9 2

Grading the Narrators: An Isnad-Rijal Framework for Claim-Level Provenance in Multi-Agent Knowledge Systems

Modern multi-agent knowledge systems increasingly accumulate knowledge through chains of autonomous transformations rather than direct retrieval. Existing provenance work records what happened - execution traces, tool calls, evidence links - and source-reliability estimation is long established (truth discovery, reputation systems). What is missing is an operational framework that attaches graded, per-domain transmitter reliability to claim-level transmission chains, with completeness semantics, transformation-typed aggregation, decoupled content criticism, and serve/review/quarantine routing. Classical Islamic hadith science confronted a structurally similar problem: deciding whether knowledge transmitted through chains of human narrators should be accepted. Over centuries it developed a rigorous methodology - isnad (a complete transmission chain attached to every claim), rijal (systematic grading of each narrator's integrity and precision), weakest-link chain evaluation, corroboration through independent chains, and matn criticism (content evaluated independently of chain quality). This paper transfers that methodology to AI system design. We contribute a formal mapping from hadith-science concepts to multi-agent pipelines, a relational schema implementing claim chains and a graded narrator registry, a decision matrix combining chain grade with content criticism, and an evaluation on 20,000 claims from real physics textbooks. The evaluation validates weakest-link quarantine and independent-chain corroboration; reports a partial failure of the grade-recovery loop, which missed the highest-fault narrator; and reports two analyses as inconclusive, including a matched-coverage comparison the framework could not reach with the reference content critic. The paper is explicit throughout about which claims the evidence does and does not yet support.

  • 1 authors
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Jul 26 3

Does Graph Prompt Work? A Data Operation Perspective with Theoretical Analysis

In recent years, graph prompting has emerged as a promising research direction, enabling the learning of additional tokens or subgraphs appended to the original graphs without requiring retraining of pre-trained graph models across various applications. This novel paradigm, shifting from the traditional pretraining and finetuning to pretraining and prompting has shown significant empirical success in simulating graph data operations, with applications ranging from recommendation systems to biological networks and graph transferring. However, despite its potential, the theoretical underpinnings of graph prompting remain underexplored, raising critical questions about its fundamental effectiveness. The lack of rigorous theoretical proof of why and how much it works is more like a dark cloud over the graph prompt area to go further. To fill this gap, this paper introduces a theoretical framework that rigorously analyzes graph prompting from a data operation perspective. Our contributions are threefold: First, we provide a formal guarantee theorem, demonstrating graph prompts capacity to approximate graph transformation operators, effectively linking upstream and downstream tasks. Second, we derive upper bounds on the error of these data operations by graph prompts for a single graph and extend this discussion to batches of graphs, which are common in graph model training. Third, we analyze the distribution of data operation errors, extending our theoretical findings from linear graph models (e.g., GCN) to non-linear graph models (e.g., GAT). Extensive experiments support our theoretical results and confirm the practical implications of these guarantees.

  • 3 authors
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May 26, 2025

OrgForge: A Multi-Agent Simulation Framework for Verifiable Synthetic Corporate Corpora

Evaluating retrieval-augmented generation (RAG) pipelines requires corpora where ground truth is knowable, temporally structured, and cross-artifact properties that real-world datasets rarely provide cleanly. Existing resources such as the Enron corpus carry legal ambiguity, demographic skew, and no structured ground truth. Purely LLM-generated synthetic data solves the legal problem but introduces a subtler one: the generating model cannot be prevented from hallucinating facts that contradict themselves across documents.We present OrgForge, an open-source multi-agent simulation framework that enforces a strict physics-cognition boundary: a deterministic Python engine maintains a SimEvent ground truth bus; large language models generate only surface prose, constrained by validated proposals. An actor-local clock enforces causal timestamp correctness across all artifact types, eliminating the class of timeline inconsistencies that arise when timestamps are sampled independently per document. We formalize three graph-dynamic subsystems stress propagation via betweenness centrality, temporal edge-weight decay, and Dijkstra escalation routing that govern organizational behavior independently of any LLM. Running a configurable N-day simulation, OrgForge produces interleaved Slack threads, JIRA tickets, Confluence pages, Git pull requests, and emails, all traceable to a shared, immutable event log. We additionally describe a causal chain tracking subsystem that accumulates cross-artifact evidence graphs per incident, a hybrid reciprocal-rank-fusion recurrence detector for identifying repeated failure classes, and an inbound/outbound email engine that routes vendor alerts, customer complaints, and HR correspondence through gated causal chains with probabilistic drop simulation. OrgForge is available under the MIT license.

  • 1 authors
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Mar 16

PULSE: An Executable Contract Language for Spatiotemporal Knowledge Graph Engineering

Knowledge graph engineering often distributes accepted state, observations, constraints, processes, and hypothetical scenarios across artifacts whose combined execution contract remains external. We present PULSE, an Object-Process-Methodology-inspired language that localizes four operational roles and their write effects in one typed runtime. Here, modes denote operational roles rather than modal or deontic logic. The implemented contract fixes evidence non-overwrite, branch isolation, grounded multi-subject timers, guarded state change, and declaration-ranked event ordering over time and space; an external runner still decides whether evidence becomes an authoritative move. GeoSPARQL, SOSA, and SHACL remain generated views. A core calculus gives an effect-confinement lemma and six safety properties. Lean 4 checks kernel analogues for positions, evidence, clocks, monitors, atomicity, and branch source retention; 88 tests, 3,534 bounded checks, and 32 Lean/Python runtime-kernel cases bound the implementation claim to the checked cases. First-author implementations of a standards composition and a separate Sismic statechart reproduce the tested cold-chain trace. Across 37,440 generated temporal traces, PULSE matches a separate workflow and distinguishes ten single-field mutants. On the complete NOAA IBTrACS since1980 subset it agrees with GEOS and an event sweep on 1,476,290 transition-zone pairs, including 4,800 sampled and 12,831 duration-qualified events. Project-specific GeoSPARQL probes measure interface coverage. Overall, the results support contract localization, safety arguments, and trace parity for the tested fragment; language superiority and usability remain outside the evaluation.

  • 2 authors
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Jul 25

TailVis: Expressive Chart Refinement Preserving Data-Binding Integrity

Creating static visualizations for presentations and publications requires granular refinements of visual details, even for simple charts. Existing data-driven visualization tools offer limited interactive control for such refinements, forcing users to export charts to external graphic editors and breaking the critical link between data and visual representation. To address this gap, we propose an extended InfoVis Reference Model to account for post-render design refinement. A formative study with 18 visualization practitioners and a follow-up survey of 35 respondents confirmed that this stage is pervasive yet unsupported in current practice. Based on these findings, we present TailVis, a visualization authoring system that enables expressive visual customization while preserving data-binding integrity. TailVis supports element-level direct selection and scope expansion, allowing users to define a data-aware scope ranging from a single mark to a data-driven category with a simple selection. For modifications beyond predefined controls, TailVis blends natural language input with dynamically generated GUI widgets, where deictic interaction lets users reference elements simply by clicking them, keeping even open-ended edits bound to the data. To support rigorous exploration and comparison of design alternatives, TailVis implements a provenance history that enables users to capture diverse design iterations while ensuring data-visual integrity. A user study with 12 participants verified that TailVis effectively supports expressive, granular refinement without sacrificing data binding, significantly reducing repetitive manual processes in an integrated environment.

  • 7 authors
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Aug 10

CodeGraph: Open-Taxonomy Knowledge Graph for Source Code with Wikidata Grounding

Public software repositories, like GitHub and Software Heritage Archive, store billions of files, yet extracting their implicit engineering knowledge ---i.e., the algorithms they implement, the paradigms they follow, the patterns they instantiate, and the application domains they serve--- remains challenging, as current tools are constrained to syntactic and token-level analysis. We present a pipeline for building an open-taxonomy semantic annotation of source code using a code-specialised Large Language Model. The extracted entities are grounded in Wikidata through a three-stage linking procedure: a deterministic SPARQL stage handles unambiguous entities, a Deep Research Agent resolves the residual long tail, and a hierarchy-rollup stage imports the parent-of closure of each resolved Wikidata identifier. The resulting annotations are materialised as a source-code-specific open-taxonomy knowledge graph. We further introduce a calibrated quality-assurance protocol that quantifies annotation precision by combining a small human gold set with an LLM-as-a-judge filter. We applied our pipeline to the 167 million files of the Stack-Edu corpus, creating the first known large-scale open-taxonomy knowledge graph for source code. Our graph, named CodeGraph, contains approximately 158 million nodes, which include around 145 million files, about 63,000 extracted concept entities (such as algorithms, paradigms, design patterns, and application domains), and roughly 19,800 grounded Wikidata entities. Furthermore, CodeGraph features approximately 1 billion typed edges that connect files to their respective concepts, link these concepts to their grounded Wikidata identifiers, and relate them to their parent categories, covering 14 programming languages.

  • 5 authors
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Sep 23 2

Graph Prompt Learning: A Comprehensive Survey and Beyond

Artificial General Intelligence (AGI) has revolutionized numerous fields, yet its integration with graph data, a cornerstone in our interconnected world, remains nascent. This paper presents a pioneering survey on the emerging domain of graph prompts in AGI, addressing key challenges and opportunities in harnessing graph data for AGI applications. Despite substantial advancements in AGI across natural language processing and computer vision, the application to graph data is relatively underexplored. This survey critically evaluates the current landscape of AGI in handling graph data, highlighting the distinct challenges in cross-modality, cross-domain, and cross-task applications specific to graphs. Our work is the first to propose a unified framework for understanding graph prompt learning, offering clarity on prompt tokens, token structures, and insertion patterns in the graph domain. We delve into the intrinsic properties of graph prompts, exploring their flexibility, expressiveness, and interplay with existing graph models. A comprehensive taxonomy categorizes over 100 works in this field, aligning them with pre-training tasks across node-level, edge-level, and graph-level objectives. Additionally, we present, ProG, a Python library, and an accompanying website, to support and advance research in graph prompting. The survey culminates in a discussion of current challenges and future directions, offering a roadmap for research in graph prompting within AGI. Through this comprehensive analysis, we aim to catalyze further exploration and practical applications of AGI in graph data, underlining its potential to reshape AGI fields and beyond. ProG and the website can be accessed by https://github.com/WxxShirley/Awesome-Graph-Prompt, and https://github.com/sheldonresearch/ProG, respectively.

  • 6 authors
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Nov 28, 2023

The Data Provenance Initiative: A Large Scale Audit of Dataset Licensing & Attribution in AI

The race to train language models on vast, diverse, and inconsistently documented datasets has raised pressing concerns about the legal and ethical risks for practitioners. To remedy these practices threatening data transparency and understanding, we convene a multi-disciplinary effort between legal and machine learning experts to systematically audit and trace 1800+ text datasets. We develop tools and standards to trace the lineage of these datasets, from their source, creators, series of license conditions, properties, and subsequent use. Our landscape analysis highlights the sharp divides in composition and focus of commercially open vs closed datasets, with closed datasets monopolizing important categories: lower resource languages, more creative tasks, richer topic variety, newer and more synthetic training data. This points to a deepening divide in the types of data that are made available under different license conditions, and heightened implications for jurisdictional legal interpretations of copyright and fair use. We also observe frequent miscategorization of licenses on widely used dataset hosting sites, with license omission of 72%+ and error rates of 50%+. This points to a crisis in misattribution and informed use of the most popular datasets driving many recent breakthroughs. As a contribution to ongoing improvements in dataset transparency and responsible use, we release our entire audit, with an interactive UI, the Data Provenance Explorer, which allows practitioners to trace and filter on data provenance for the most popular open source finetuning data collections: www.dataprovenance.org.

  • 18 authors
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Oct 25, 2023 2

A Unified Statistical And Computational Framework For Ex-Post Harmonisation Of Aggregate Statistics

Ex-post harmonisation is one of many data preprocessing processes used to combine the increasingly vast and diverse sources of data available for research and analysis. Documenting provenance and ensuring the quality of multi-source datasets is vital for ensuring trustworthy scientific research and encouraging reuse of existing harmonisation efforts. However, capturing and communicating statistically relevant properties of harmonised datasets is difficult without a universal standard for describing harmonisation operations. Our paper combines mathematical and computer science perspectives to address this need. The Crossmaps Framework defines a new approach for transforming existing variables collected under a specific measurement or classification standard to an imputed counterfactual variable indexed by some target standard. It uses computational graphs to separate intended transformation logic from actual data transformations, and avoid the risk of syntactically valid data manipulation scripts resulting in statistically questionable data. In this paper, we introduce the Crossmaps Framework through the example of ex-post harmonisation of aggregated statistics in the social sciences. We define a new provenance task abstraction, the crossmap transform, and formalise two associated objects, the shared mass array and the crossmap. We further define graph, matrix and list encodings of crossmaps and discuss resulting implications for understanding statistical properties of ex-post harmonisation and designing error minimising workflows.

  • 1 authors
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Jun 20, 2024

Disentangled Structural and Featural Representation for Task-Agnostic Graph Valuation

With the emergence of data marketplaces, the demand for methods to assess the value of data has increased significantly. While numerous techniques have been proposed for this purpose, none have specifically addressed graphs as the main data modality. Graphs are widely used across various fields, ranging from chemical molecules to social networks. In this study, we break down graphs into two main components: structural and featural, and we focus on evaluating data without relying on specific task-related metrics, making it applicable in practical scenarios where validation requirements may be lacking. We introduce a novel framework called blind message passing, which aligns the seller's and buyer's graphs using a shared node permutation based on graph matching. This allows us to utilize the graph Wasserstein distance to quantify the differences in the structural distribution of graph datasets, called the structural disparities. We then consider featural aspects of buyers' and sellers' graphs for data valuation and capture their statistical similarities and differences, referred to as relevance and diversity, respectively. Our approach ensures that buyers and sellers remain unaware of each other's datasets. Our experiments on real datasets demonstrate the effectiveness of our approach in capturing the relevance, diversity, and structural disparities of seller data for buyers, particularly in graph-based data valuation scenarios.

  • 2 authors
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Aug 22, 2024

Opus: A Large Work Model for Complex Workflow Generation

This paper introduces Opus, a novel framework for generating and optimizing Workflows tailored to complex Business Process Outsourcing (BPO) use cases, focusing on cost reduction and quality enhancement while adhering to established industry processes and operational constraints. Our approach generates executable Workflows from Intention, defined as the alignment of Client Input, Client Output, and Process Context. These Workflows are represented as Directed Acyclic Graphs (DAGs), with nodes as Tasks consisting of sequences of executable Instructions, including tools and human expert reviews. We adopt a two-phase methodology: Workflow Generation and Workflow Optimization. In the Generation phase, Workflows are generated using a Large Work Model (LWM) informed by a Work Knowledge Graph (WKG) that encodes domain-specific procedural and operational knowledge. In the Optimization phase, Workflows are transformed into Workflow Graphs (WFGs), where optimal Workflows are determined through path optimization. Our experiments demonstrate that state-of-the-art Large Language Models (LLMs) face challenges in reliably retrieving detailed process data as well as generating industry-compliant workflows. The key contributions of this paper include: - The integration of a Work Knowledge Graph (WKG) into a Large Work Model (LWM), enabling the generation of context-aware, semantically aligned, structured and auditable Workflows. - A two-phase approach that combines Workflow Generation from Intention with graph-based Workflow Optimization. - Opus Alpha 1 Large and Opus Alpha 1 Small, models that outperform state-of-the-art LLMs by 38\% and 29\% respectively in Workflow Generation for a Medical Coding use case.

  • 4 authors
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Nov 30, 2024

Automated Circuit Interpretation via Probe Prompting

Mechanistic interpretability aims to understand neural networks by identifying which learned features mediate specific behaviors. Attribution graphs reveal these feature pathways, but interpreting them requires extensive manual analysis -- a single prompt can take approximately 2 hours for an experienced circuit tracer. We present probe prompting, an automated pipeline that transforms attribution graphs into compact, interpretable subgraphs built from concept-aligned supernodes. Starting from a seed prompt and target logit, we select high-influence features, generate concept-targeted yet context-varying probes, and group features by cross-prompt activation signatures into Semantic, Relationship, and Say-X categories using transparent decision rules. Across five prompts including classic "capitals" circuits, probe-prompted subgraphs preserve high explanatory coverage while compressing complexity (Completeness 0.83, mean across circuits; Replacement 0.54). Compared to geometric clustering baselines, concept-aligned groups exhibit higher behavioral coherence: 2.3x higher peak-token consistency (0.425 vs 0.183) and 5.8x higher activation-pattern similarity (0.762 vs 0.130), despite lower geometric compactness. Entity-swap tests reveal a layerwise hierarchy: early-layer features transfer robustly (64% transfer rate, mean layer 6.3), while late-layer Say-X features specialize for output promotion (mean layer 16.4), supporting a backbone-and-specialization view of transformer computation. We release code (https://github.com/peppinob-ol/attribution-graph-probing), an interactive demo (https://huggingface.co/spaces/Peppinob/attribution-graph-probing), and minimal artifacts enabling immediate reproduction and community adoption.

  • 1 authors
·
Nov 10, 2025

RPG: A Repository Planning Graph for Unified and Scalable Codebase Generation

Large language models excel at function- and file-level code generation, yet generating complete repositories from scratch remains a fundamental challenge. This process demands coherent and reliable planning across proposal- and implementation-level stages, while natural language, due to its ambiguity and verbosity, is ill-suited for faithfully representing complex software structures. To address this, we introduce the Repository Planning Graph (RPG), a persistent representation that unifies proposal- and implementation-level planning by encoding capabilities, file structures, data flows, and functions in one graph. RPG replaces ambiguous natural language with an explicit blueprint, enabling long-horizon planning and scalable repository generation. Building on RPG, we develop ZeroRepo, a graph-driven framework for repository generation from scratch. It operates in three stages: proposal-level planning and implementation-level refinement to construct the graph, followed by graph-guided code generation with test validation. To evaluate this setting, we construct RepoCraft, a benchmark of six real-world projects with 1,052 tasks. On RepoCraft, ZeroRepo produces repositories averaging nearly 36K LOC, roughly 3.9times the strongest baseline (Claude Code) and about 64times other baselines. It attains 81.5% functional coverage and a 69.7% pass rate, exceeding Claude Code by 27.3 and 35.8 percentage points, respectively. Further analysis shows that RPG models complex dependencies, enables progressively more sophisticated planning through near-linear scaling, and enhances LLM understanding of repositories, thereby accelerating agent localization.

  • 14 authors
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Sep 19, 2025 23

Accelerating Dependency Graph Learning from Heterogeneous Categorical Event Streams via Knowledge Transfer

Dependency graph, as a heterogeneous graph representing the intrinsic relationships between different pairs of system entities, is essential to many data analysis applications, such as root cause diagnosis, intrusion detection, etc. Given a well-trained dependency graph from a source domain and an immature dependency graph from a target domain, how can we extract the entity and dependency knowledge from the source to enhance the target? One way is to directly apply a mature dependency graph learned from a source domain to the target domain. But due to the domain variety problem, directly using the source dependency graph often can not achieve good performance. Traditional transfer learning methods mainly focus on numerical data and are not applicable. In this paper, we propose ACRET, a knowledge transfer based model for accelerating dependency graph learning from heterogeneous categorical event streams. In particular, we first propose an entity estimation model to filter out irrelevant entities from the source domain based on entity embedding and manifold learning. Only the entities with statistically high correlations are transferred to the target domain. On the surviving entities, we propose a dependency construction model for constructing the unbiased dependency relationships by solving a two-constraint optimization problem. The experimental results on synthetic and real-world datasets demonstrate the effectiveness and efficiency of ACRET. We also apply ACRET to a real enterprise security system for intrusion detection. Our method is able to achieve superior detection performance at least 20 days lead lag time in advance with more than 70% accuracy.

  • 5 authors
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Aug 25, 2017

LibVulnWatch: A Deep Assessment Agent System and Leaderboard for Uncovering Hidden Vulnerabilities in Open-Source AI Libraries

Open-source AI libraries are foundational to modern AI systems but pose significant, underexamined risks across security, licensing, maintenance, supply chain integrity, and regulatory compliance. We present LibVulnWatch, a graph-based agentic assessment framework that performs deep, source-grounded evaluations of these libraries. Built on LangGraph, the system coordinates a directed acyclic graph of specialized agents to extract, verify, and quantify risk using evidence from trusted sources such as repositories, documentation, and vulnerability databases. LibVulnWatch generates reproducible, governance-aligned scores across five critical domains, publishing them to a public leaderboard for longitudinal ecosystem monitoring. Applied to 20 widely used libraries, including ML frameworks, LLM inference engines, and agent orchestration tools, our system covers up to 88% of OpenSSF Scorecard checks while uncovering up to 19 additional risks per library. These include critical Remote Code Execution (RCE) vulnerabilities, absent Software Bills of Materials (SBOMs), licensing constraints, undocumented telemetry, and widespread gaps in regulatory documentation and auditability. By translating high-level governance principles into practical, verifiable metrics, LibVulnWatch advances technical AI governance with a scalable, transparent mechanism for continuous supply chain risk assessment and informed library selection.

  • 10 authors
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May 13, 2025

GraphLocator: Graph-guided Causal Reasoning for Issue Localization

The issue localization task aims to identify the locations in a software repository that requires modification given a natural language issue description. This task is fundamental yet challenging in automated software engineering due to the semantic gap between issue description and source code implementation. This gap manifests as two mismatches:(1) symptom-to-cause mismatches, where descriptions do not explicitly reveal underlying root causes; (2) one-to-many mismatches, where a single issue corresponds to multiple interdependent code entities. To address these two mismatches, we propose GraphLocator, an approach that mitigates symptom-to-cause mismatches through causal structure discovering and resolves one-to-many mismatches via dynamic issue disentangling. The key artifact is the causal issue graph (CIG), in which vertices represent discovered sub-issues along with their associated code entities, and edges encode the causal dependencies between them. The workflow of GraphLocator consists of two phases: symptom vertices locating and dynamic CIG discovering; it first identifies symptom locations on the repository graph, then dynamically expands the CIG by iteratively reasoning over neighboring vertices. Experiments on three real-world datasets demonstrates the effectiveness of GraphLocator: (1) Compared with baselines, GraphLocator achieves more accurate localization with average improvements of +19.49% in function-level recall and +11.89% in precision. (2) GraphLocator outperforms baselines on both symptom-to-cause and one-to-many mismatch scenarios, achieving recall improvement of +16.44% and +19.18%, precision improvement of +7.78% and +13.23%, respectively. (3) The CIG generated by GraphLocator yields the highest relative improvement, resulting in a 28.74% increase in performance on downstream resolving task.

  • 7 authors
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Dec 27, 2025 3

PAGE-RAG: Provenance-Aware Graph Evidence Promotion for Fixed-Budget Multi-hop Retrieval-Augmented Generation

Multi-hop question answering in retrieval-augmented gener?ation (RAG) often benefits from retrieving beyond the few candidates that will finally be read: narrow retrieval can miss an indispensable hop, while expanded retrieval introduces topical distractors. This challenge is not tied to a particu?lar knowledge-base format. Candidate pools may come from standalone retrievers, standard RAG backends, or graph-based retrieval pipelines. What is needed is a query-aware selection layer that can use relational structure to filter candidates be?fore generation. PAGE-RAG addresses this setting by using a graph as a temporary selection structure, rather than assum?ing a graph-structured knowledge base. It builds a query-local graph over retrieved candidates, records why candidates are connected, and treats each connection as a support hypothe?sis rather than support itself. We identify the resulting failure mode as a connectivity-support gap: connected candidates do not necessarily support the answer. We propose PAGE-RAG, a Provenance-Aware Graph Evidence promotion method that scores candidate paths with relevance, source-tracing meta?data, specificity, hubness, noise, and coherence signals, and applies minimal sufficient selection to promote supporting facts into a compact reader context. PAGE-RAG can serve as a complete retrieval-to-reading pipeline, and the same promo?tion stage can be inserted after existing retrieval or RAG sys?tems without replacing their upstream retrieval logic. Across three multi-hop QA benchmarks under the same final bud?get, PAGE-RAG improves support F1 and answer F1 by 10.4 and 3.3 points on a weighted average over a strong retriever. As a plug-in, PAGE-RAG further improves all reported RAG backends, including reasoning-oriented, compression-based, graph-based, and document/chunk-level systems.

  • 4 authors
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Aug 29

A large collection of bioinformatics question-query pairs over federated knowledge graphs: methodology and applications

Background. In the last decades, several life science resources have structured data using the same framework and made these accessible using the same query language to facilitate interoperability. Knowledge graphs have seen increased adoption in bioinformatics due to their advantages for representing data in a generic graph format. For example, yummydata.org catalogs more than 60 knowledge graphs accessible through SPARQL, a technical query language. Although SPARQL allows powerful, expressive queries, even across physically distributed knowledge graphs, formulating such queries is a challenge for most users. Therefore, to guide users in retrieving the relevant data, many of these resources provide representative examples. These examples can also be an important source of information for machine learning, if a sufficiently large number of examples are provided and published in a common, machine-readable and standardized format across different resources. Findings. We introduce a large collection of human-written natural language questions and their corresponding SPARQL queries over federated bioinformatics knowledge graphs (KGs) collected for several years across different research groups at the SIB Swiss Institute of Bioinformatics. The collection comprises more than 1000 example questions and queries, including 65 federated queries. We propose a methodology to uniformly represent the examples with minimal metadata, based on existing standards. Furthermore, we introduce an extensive set of open-source applications, including query graph visualizations and smart query editors, easily reusable by KG maintainers who adopt the proposed methodology. Conclusions. We encourage the community to adopt and extend the proposed methodology, towards richer KG metadata and improved Semantic Web services.

  • 17 authors
·
Oct 8, 2024

Knossos and Ariadne: Benchmarking and Learning Complete Diagram Topology Extraction with Vision-Language Models

Structural diagrams are widely used to represent complex systems and relational information across scientific, engineering, procedural, and spatial domains. Recent vision-language models (VLMs) have become increasingly capable of recognizing diagram elements and reasoning about their content, while complete diagram topology extraction remains comparatively underexplored. In this paper, we study diagram-to-graph topology extraction: extracting all diagram entities and the complete relations among them. To enable large-scale supervised training and systematic evaluation of this task, we introduce Knossos, a benchmark of 19,200 diagrams across six diverse domains, with 245,179 nodes and 439,740 edges. Its symbolic generation process provides exact alignment between rendered diagrams and annotations of complete topology, relation types, and connector geometry. To address the modeling challenge of complete topology extraction, we also present Ariadne, a structured framework that decomposes the task into node inventory extraction and source-conditioned edge prediction. Extensive experiments show that training on Knossos substantially improves complete topology extraction in smaller open-source VLMs. Ariadne further improves over one-step extraction under matched supervision, demonstrating the additional benefit of structured decomposition. It achieves the highest average Edge F1 among the evaluated methods on Knossos, while both backbone variants also improve over their unadapted counterparts on the real-world external benchmark. Code and benchmark are available at https://github.com/bangwayne/knossos_Ariadne_Public.

  • 9 authors
·
Oct 2

Learning to Represent Programs with Heterogeneous Graphs

Program source code contains complex structure information, which can be represented in structured data forms like trees or graphs. To acquire the structural information in source code, most existing researches use abstract syntax trees (AST). A group of works add additional edges to ASTs to convert source code into graphs and use graph neural networks to learn representations for program graphs. Although these works provide additional control or data flow information to ASTs for downstream tasks, they neglect an important aspect of structure information in AST itself: the different types of nodes and edges. In ASTs, different nodes contain different kinds of information like variables or control flow, and the relation between a node and all its children can also be different. To address the information of node and edge types, we bring the idea of heterogeneous graphs to learning on source code and present a new formula of building heterogeneous program graphs from ASTs with additional type information for nodes and edges. We use the ASDL grammar of programming language to define the node and edge types of program graphs. Then we use heterogeneous graph neural networks to learn on these graphs. We evaluate our approach on two tasks: code comment generation and method naming. Both tasks require reasoning on the semantics of complete code snippets. Experiment results show that our approach outperforms baseline models, including homogeneous graph-based models, showing that leveraging the type information of nodes and edges in program graphs can help in learning program semantics.

  • 5 authors
·
Dec 7, 2020

Transforming Engineering Diagrams: A Novel Approach for P&ID Digitization using Transformers

The digitization of complex technical systems, such as Piping and Instrumentation Diagrams (P&IDs), is crucial for efficient maintenance and operation of complex systems in hydraulic and process engineering. Previous approaches often rely on separate modules that analyze diagram elements individually, neglecting the diagram's overall structure. We address this limitation by proposing a novel approach that utilizes the Relationformer, a state-of-the-art deep learning architecture, to extract graphs from P&IDs. Our method leverages the ability of the Relationformer to simultaneously detect objects and their relationships in images, making it suitable for the task of graph extraction from engineering diagrams. We apply our proposed approach to both real-world and synthetically created P&ID datasets, and evaluate its effectiveness by comparing it with a modular digitization approach based on recent literature. We present PID2Graph, the first publicly accessible P&ID dataset featuring comprehensive labels for the graph structure, including symbols, nodes and their connections that is used for evaluation. To understand the effect of patching and stitching of both of the approaches, we compare values before and after merging the patches. For the real-world data, the Relationformer achieves convincing results, outperforming the modular digitization approach for edge detection by more than 25%. Our work provides a comprehensive framework for assessing the performance of P&ID digitization methods and opens up new avenues for research in this area using transformer architectures. The P&ID dataset used for evaluation will be published and publicly available upon acceptance of the paper.

  • 3 authors
·
Nov 21, 2024

Graph Neural Networks Applications Across Domains: All Insights You Need

Graph neural networks have moved from a niche representation-learning technique to the default model class wherever data carry relational structure. The interesting question is no longer whether message passing helps on a given dataset, but where graph structure earns its computational cost and where it does not. This survey organises the field around a single design space, derives the spectral and spatial formulations from shared first principles, and connects expressive power to the Weisfeiler-Leman hierarchy with explicit statements of what current architectures can and cannot separate. Against that methodological backbone we examine twelve application domains, among them recommendation and social networks, knowledge graphs and language-model integration, drug discovery and molecular property learning, healthcare and neuroscience, computer vision, traffic and urban computing, power and renewable-energy systems, wireless and sixth-generation networks, fraud and cybersecurity, industrial prognostics, materials science, and climate modelling. For each domain we specify the graph-construction choices and their costs, identify which architecture families dominate and why, and separate reported gains from artefacts of weak baselines or favourable splits. A cross-domain comparison exposes recurring patterns: heterophily and scale undercut the same models almost everywhere, temporal graphs remain harder than their static counterparts, and the architectures that top public leaderboards are seldom the ones that reach deployment. We treat over-smoothing, over-squashing, robustness, distribution shift, fairness, and explainability not as a closing checklist but as the constraints that decide adoption.

  • 1 authors
·
Jun 24

Youtu-GraphRAG: Vertically Unified Agents for Graph Retrieval-Augmented Complex Reasoning

Graph retrieval-augmented generation (GraphRAG) has effectively enhanced large language models in complex reasoning by organizing fragmented knowledge into explicitly structured graphs. Prior efforts have been made to improve either graph construction or graph retrieval in isolation, yielding suboptimal performance, especially when domain shifts occur. In this paper, we propose a vertically unified agentic paradigm, Youtu-GraphRAG, to jointly connect the entire framework as an intricate integration. Specifically, (i) a seed graph schema is introduced to bound the automatic extraction agent with targeted entity types, relations and attribute types, also continuously expanded for scalability over unseen domains; (ii) To obtain higher-level knowledge upon the schema, we develop novel dually-perceived community detection, fusing structural topology with subgraph semantics for comprehensive knowledge organization. This naturally yields a hierarchical knowledge tree that supports both top-down filtering and bottom-up reasoning with community summaries; (iii) An agentic retriever is designed to interpret the same graph schema to transform complex queries into tractable and parallel sub-queries. It iteratively performs reflection for more advanced reasoning; (iv) To alleviate the knowledge leaking problem in pre-trained LLM, we propose a tailored anonymous dataset and a novel 'Anonymity Reversion' task that deeply measures the real performance of the GraphRAG frameworks. Extensive experiments across six challenging benchmarks demonstrate the robustness of Youtu-GraphRAG, remarkably moving the Pareto frontier with up to 90.71% saving of token costs and 16.62% higher accuracy over state-of-the-art baselines. The results indicate our adaptability, allowing seamless domain transfer with minimal intervention on schema.

tencent Tencent
·
Aug 27, 2025 1

SE-GoS: Self-Evolving Graph-of-Skills for Skill Library at Scale

Modern LLM agents increasingly rely on reusable skills, yet as skill libraries scale to thousands of entries, effective retrieval becomes a bottleneck. Graph-of-Skills (GoS) addresses this challenge by exploiting dependency-aware graph structure for scalable skill retrieval, while SkillDAG further demonstrates that skill graphs can accumulate execution-backed structure online. However, these approaches leave open whether historical execution traces can be systematically distilled into a better retrieval graph that generalizes to unseen tasks. We present Self-Evolving Graph-of-Skills (SE-GoS), a training-free framework that evolves an existing GoS graph from execution traces while preserving the original retrieval pipeline. SE-GoS performs three complementary updates: topology evolution that discovers and prunes skill relationships from execution evidence, edge-weight evolution that reinforces retrieval-relevant relationships based on historical effectiveness, and description evolution that optimizes retrieval-facing skill descriptions using execution feedback. Across three LLMs on SkillsBench, SE-GoS consistently improves task reward while reducing input tokens relative to full skill loading, with gains varying across model families. In a representative setting, one evolution round improves reward from 52.4\% to 59.4\% while reducing input tokens by approximately one-third relative to full skill loading, and the resulting graph transfers to a disjoint held-out split with a 5.4-point improvement over the static GoS baseline. These results show that skill graphs can be improved from execution experience without model training, changes to the retrieval algorithm, or modifications to skill content, turning a static retrieval graph into an evolving retrieval infrastructure.

  • 5 authors
·
Sep 7

Towards Robust Fidelity for Evaluating Explainability of Graph Neural Networks

Graph Neural Networks (GNNs) are neural models that leverage the dependency structure in graphical data via message passing among the graph nodes. GNNs have emerged as pivotal architectures in analyzing graph-structured data, and their expansive application in sensitive domains requires a comprehensive understanding of their decision-making processes -- necessitating a framework for GNN explainability. An explanation function for GNNs takes a pre-trained GNN along with a graph as input, to produce a `sufficient statistic' subgraph with respect to the graph label. A main challenge in studying GNN explainability is to provide fidelity measures that evaluate the performance of these explanation functions. This paper studies this foundational challenge, spotlighting the inherent limitations of prevailing fidelity metrics, including Fid_+, Fid_-, and Fid_Delta. Specifically, a formal, information-theoretic definition of explainability is introduced and it is shown that existing metrics often fail to align with this definition across various statistical scenarios. The reason is due to potential distribution shifts when subgraphs are removed in computing these fidelity measures. Subsequently, a robust class of fidelity measures are introduced, and it is shown analytically that they are resilient to distribution shift issues and are applicable in a wide range of scenarios. Extensive empirical analysis on both synthetic and real datasets are provided to illustrate that the proposed metrics are more coherent with gold standard metrics. The source code is available at https://trustai4s-lab.github.io/fidelity.

  • 8 authors
·
Oct 3, 2023

Artifact-centered Claim-aware Observability for Autonomous Scientific Agents

Autonomous scientific agents now increasingly propose ideas, write code, run experiments, analyze results, and even draft papers. Observe and audit those agents are necessary but logging every model call is not enough, scientists also need to inspect the artifacts and claims that the systems produced and their relations. This is driven by the fact that failures in scientific agent systems are often distributed across several objects. A manuscript claim may cite the wrong evidence, a search process may select a degenerate candidate, a laboratory novelty claim may depend on an unstated rule, or a multi-agent plan may change without a visible trigger. Existing tracing, experiment tracking, and archival provenance tools are valuable, but their native objects do not make these scientific audit relations first-class. We argue that autonomous scientific systems should emit portable, claim-aware artifact lineage as a minimum audit layer. We propose a compact observability profile organized around individuals, operators, fitness records, lineage, archives, runs, streams, and steering commands. In this profile, scientific claims are ordinary individuals with explicit evidence bindings and verification records. The profile is intended as a semantic layer that complements current telemetry and provenance standards. Execution details can remain in OpenTelemetry. Final packages can export to PROV-O or RO-Crate standards.

  • 4 authors
·
Aug 17

GraphMaster: Automated Graph Synthesis via LLM Agents in Data-Limited Environments

The era of foundation models has revolutionized AI research, yet Graph Foundation Models (GFMs) remain constrained by the scarcity of large-scale graph corpora. Traditional graph data synthesis techniques primarily focus on simplistic structural operations, lacking the capacity to generate semantically rich nodes with meaningful textual attributes: a critical limitation for real-world applications. While large language models (LLMs) demonstrate exceptional text generation capabilities, their direct application to graph synthesis is impeded by context window limitations, hallucination phenomena, and structural consistency challenges. To address these issues, we introduce GraphMaster, the first multi-agent framework specifically designed for graph data synthesis in data-limited environments. GraphMaster orchestrates four specialized LLM agents (Manager, Perception, Enhancement, and Evaluation) that collaboratively optimize the synthesis process through iterative refinement, ensuring both semantic coherence and structural integrity. To rigorously evaluate our approach, we create new data-limited "Sub" variants of six standard graph benchmarks, specifically designed to test synthesis capabilities under realistic constraints. Additionally, we develop a novel interpretability assessment framework that combines human evaluation with a principled Grassmannian manifold-based analysis, providing both qualitative and quantitative measures of semantic coherence. Experimental results demonstrate that GraphMaster significantly outperforms traditional synthesis methods across multiple datasets, establishing a strong foundation for advancing GFMs in data-scarce environments.

  • 6 authors
·
Apr 1, 2025

Large Generative Graph Models

Large Generative Models (LGMs) such as GPT, Stable Diffusion, Sora, and Suno are trained on a huge amount of language corpus, images, videos, and audio that are extremely diverse from numerous domains. This training paradigm over diverse well-curated data lies at the heart of generating creative and sensible content. However, all previous graph generative models (e.g., GraphRNN, MDVAE, MoFlow, GDSS, and DiGress) have been trained only on one dataset each time, which cannot replicate the revolutionary success achieved by LGMs in other fields. To remedy this crucial gap, we propose a new class of graph generative model called Large Graph Generative Model (LGGM) that is trained on a large corpus of graphs (over 5000 graphs) from 13 different domains. We empirically demonstrate that the pre-trained LGGM has superior zero-shot generative capability to existing graph generative models. Furthermore, our pre-trained LGGM can be easily fine-tuned with graphs from target domains and demonstrate even better performance than those directly trained from scratch, behaving as a solid starting point for real-world customization. Inspired by Stable Diffusion, we further equip LGGM with the capability to generate graphs given text prompts (Text-to-Graph), such as the description of the network name and domain (i.e., "The power-1138-bus graph represents a network of buses in a power distribution system."), and network statistics (i.e., "The graph has a low average degree, suitable for modeling social media interactions."). This Text-to-Graph capability integrates the extensive world knowledge in the underlying language model, offering users fine-grained control of the generated graphs. We release the code, the model checkpoint, and the datasets at https://lggm-lg.github.io/.

  • 9 authors
·
Jun 7, 2024

Darshana Graph: A Parallel Commentary Corpus for Comparative Indian Philosophy, with Stylometric and Exploratory Graph Analyses

We introduce Darshana Graph, a corpus of over 125,000 text records spanning classical Hindu, Buddhist, and Jain philosophical traditions, drawn from public-domain and openly licensed translations of sources including the Bhagavad Gita, Brahma Sutras, principal Upanishads, the Pali Canon, and core Jain texts. Its distinctive contribution lies in a structurally unique subset of roughly 8,500 Hindu and Jain records in which the same root verse or sutra is aligned across eighteen historical commentators representing five schools of Vedanta and other darshanas, enabling direct comparison of how independent interpretive traditions read identical source material. To our knowledge, no publicly available resource provides comparable cross-commentator alignment at this scale. We present two analyses built on this corpus. First, a transparent stylometric comparison requiring no machine learning measures argumentative style through scriptural citation density, explicit refutation rate, and sentence complexity. It finds a moderate negative correlation between citation density and refutation rate, a marked increase in refutation rate across three commentators in a related doctrinal lineage, and measurable genre-level differences within the Pali Canon itself. Second, we describe a constrained large language model pipeline that extracts typed philosophical relationships between concepts using a predefined relation vocabulary and deterministic post-hoc validation. The resulting graph surfaces cross-school disagreement patterns while also revealing important extraction limitations, including cases where an independent embedding-based analysis disagrees with the graph-derived findings. We release the full corpus, extracted relationship graph, and all source code.

  • 1 authors
·
Jun 15

Graphs Meet AI Agents: Taxonomy, Progress, and Future Opportunities

AI agents have experienced a paradigm shift, from early dominance by reinforcement learning (RL) to the rise of agents powered by large language models (LLMs), and now further advancing towards a synergistic fusion of RL and LLM capabilities. This progression has endowed AI agents with increasingly strong abilities. Despite these advances, to accomplish complex real-world tasks, agents are required to plan and execute effectively, maintain reliable memory, and coordinate smoothly with other agents. Achieving these capabilities involves contending with ever-present intricate information, operations, and interactions. In light of this challenge, data structurization can play a promising role by transforming intricate and disorganized data into well-structured forms that agents can more effectively understand and process. In this context, graphs, with their natural advantage in organizing, managing, and harnessing intricate data relationships, present a powerful data paradigm for structurization to support the capabilities demanded by advanced AI agents. To this end, this survey presents a first systematic review of how graphs can empower AI agents. Specifically, we explore the integration of graph techniques with core agent functionalities, highlight notable applications, and identify prospective avenues for future research. By comprehensively surveying this burgeoning intersection, we hope to inspire the development of next-generation AI agents equipped to tackle increasingly sophisticated challenges with graphs. Related resources are collected and continuously updated for the community in the Github link.

  • 13 authors
·
Jul 3, 2025

Bridging Academia and Industry: A Comprehensive Benchmark for Attributed Graph Clustering

Attributed Graph Clustering (AGC) is a fundamental unsupervised task that integrates structural topology and node attributes to uncover latent patterns in graph-structured data. Despite its significance in industrial applications such as fraud detection and user segmentation, a significant chasm persists between academic research and real-world deployment. Current evaluation protocols suffer from the small-scale, high-homophily citation datasets, non-scalable full-batch training paradigms, and a reliance on supervised metrics that fail to reflect performance in label-scarce environments. To bridge these gaps, we present PyAGC, a comprehensive, production-ready benchmark and library designed to stress-test AGC methods across diverse scales and structural properties. We unify existing methodologies into a modular Encode-Cluster-Optimize framework and, for the first time, provide memory-efficient, mini-batch implementations for a wide array of state-of-the-art AGC algorithms. Our benchmark curates 12 diverse datasets, ranging from 2.7K to 111M nodes, specifically incorporating industrial graphs with complex tabular features and low homophily. Furthermore, we advocate for a holistic evaluation protocol that mandates unsupervised structural metrics and efficiency profiling alongside traditional supervised metrics. Battle-tested in high-stakes industrial workflows at Ant Group, this benchmark offers the community a robust, reproducible, and scalable platform to advance AGC research towards realistic deployment. The code and resources are publicly available via GitHub (https://github.com/Cloudy1225/PyAGC), PyPI (https://pypi.org/project/pyagc), and Documentation (https://pyagc.readthedocs.io).

antgroup Ant Group
·
Feb 9 2

How Expressive are Graph Neural Networks in Recommendation?

Graph Neural Networks (GNNs) have demonstrated superior performance on various graph learning tasks, including recommendation, where they leverage user-item collaborative filtering signals in graphs. However, theoretical formulations of their capability are scarce, despite their empirical effectiveness in state-of-the-art recommender models. Recently, research has explored the expressiveness of GNNs in general, demonstrating that message passing GNNs are at most as powerful as the Weisfeiler-Lehman test, and that GNNs combined with random node initialization are universal. Nevertheless, the concept of "expressiveness" for GNNs remains vaguely defined. Most existing works adopt the graph isomorphism test as the metric of expressiveness, but this graph-level task may not effectively assess a model's ability in recommendation, where the objective is to distinguish nodes of different closeness. In this paper, we provide a comprehensive theoretical analysis of the expressiveness of GNNs in recommendation, considering three levels of expressiveness metrics: graph isomorphism (graph-level), node automorphism (node-level), and topological closeness (link-level). We propose the topological closeness metric to evaluate GNNs' ability to capture the structural distance between nodes, which aligns closely with the objective of recommendation. To validate the effectiveness of this new metric in evaluating recommendation performance, we introduce a learning-less GNN algorithm that is optimal on the new metric and can be optimal on the node-level metric with suitable modification. We conduct extensive experiments comparing the proposed algorithm against various types of state-of-the-art GNN models to explore the explainability of the new metric in the recommendation task. For reproducibility, implementation codes are available at https://github.com/HKUDS/GTE.

  • 4 authors
·
Aug 21, 2023