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Nov 3

PIGEON: Optimizing CUDA Code Generator for End-to-End Training and Inference of Relational Graph Neural Networks

Relational graph neural networks (RGNNs) are graph neural networks (GNNs) with dedicated structures for modeling the different types of nodes and/or edges in heterogeneous graphs. While RGNNs have been increasingly adopted in many real-world applications due to their versatility and accuracy, they pose performance and system design challenges due to their inherent computation patterns, gap between the programming interface and kernel APIs, and heavy programming efforts in optimizing kernels caused by their coupling with data layout and heterogeneity. To systematically address these challenges, we propose Pigeon, a novel two-level intermediate representation (IR) and its code generator framework, that (a) represents the key properties of the RGNN models to bridge the gap between the programming interface and kernel APIs, (b) decouples model semantics, data layout, and operators-specific optimization from each other to reduce programming efforts, (c) expresses and leverages optimization opportunities in inter-operator transforms, data layout, and operator-specific schedules. By building on one general matrix multiply (GEMM) template and a node/edge traversal template, Pigeon achieves up to 7.8x speed-up in inference and 5.6x speed-up in training compared with the state-of-the-art public systems in select models, i.e., RGCN, RGAT, HGT, when running heterogeneous graphs provided by Deep Graph Library (DGL) and Open Graph Benchmark (OGB). Pigeon also triggers fewer out-of-memory (OOM) errors. In addition, we propose linear operator fusion and compact materialization to further accelerate the system by up to 2.2x.

  • 7 authors
·
Jan 16, 2023

Effective Clustering for Large Multi-Relational Graphs

Multi-relational graphs (MRGs) are an expressive data structure for modeling diverse interactions/relations among real objects (i.e., nodes), which pervade extensive applications and scenarios. Given an MRG G with N nodes, partitioning the node set therein into K disjoint clusters (MRGC) is a fundamental task in analyzing MRGs, which has garnered considerable attention. However, the majority of existing solutions towards MRGC either yield severely compromised result quality by ineffective fusion of heterogeneous graph structures and attributes, or struggle to cope with sizable MRGs with millions of nodes and billions of edges due to the adoption of sophisticated and costly deep learning models. In this paper, we present DEMM and DEMM+, two effective MRGC approaches to address the limitations above. Specifically, our algorithms are built on novel two-stage optimization objectives, where the former seeks to derive high-caliber node feature vectors by optimizing the multi-relational Dirichlet energy specialized for MRGs, while the latter minimizes the Dirichlet energy of clustering results over the node affinity graph. In particular, DEMM+ achieves significantly higher scalability and efficiency over our based method DEMM through a suite of well-thought-out optimizations. Key technical contributions include (i) a highly efficient approximation solver for constructing node feature vectors, and (ii) a theoretically-grounded problem transformation with carefully-crafted techniques that enable linear-time clustering without explicitly materializing the NxN dense affinity matrix. Further, we extend DEMM+ to handle attribute-less MRGs through non-trivial adaptations. Extensive experiments, comparing DEMM+ against 20 baselines over 11 real MRGs, exhibit that DEMM+ is consistently superior in terms of clustering quality measured against ground-truth labels, while often being remarkably faster.

  • 3 authors
·
Aug 24, 2025

Arch-Graph: Acyclic Architecture Relation Predictor for Task-Transferable Neural Architecture Search

Neural Architecture Search (NAS) aims to find efficient models for multiple tasks. Beyond seeking solutions for a single task, there are surging interests in transferring network design knowledge across multiple tasks. In this line of research, effectively modeling task correlations is vital yet highly neglected. Therefore, we propose Arch-Graph, a transferable NAS method that predicts task-specific optimal architectures with respect to given task embeddings. It leverages correlations across multiple tasks by using their embeddings as a part of the predictor's input for fast adaptation. We also formulate NAS as an architecture relation graph prediction problem, with the relational graph constructed by treating candidate architectures as nodes and their pairwise relations as edges. To enforce some basic properties such as acyclicity in the relational graph, we add additional constraints to the optimization process, converting NAS into the problem of finding a Maximal Weighted Acyclic Subgraph (MWAS). Our algorithm then strives to eliminate cycles and only establish edges in the graph if the rank results can be trusted. Through MWAS, Arch-Graph can effectively rank candidate models for each task with only a small budget to finetune the predictor. With extensive experiments on TransNAS-Bench-101, we show Arch-Graph's transferability and high sample efficiency across numerous tasks, beating many NAS methods designed for both single-task and multi-task search. It is able to find top 0.16\% and 0.29\% architectures on average on two search spaces under the budget of only 50 models.

  • 7 authors
·
Apr 11, 2022

Halal or Not: Knowledge Graph Completion for Predicting Cultural Appropriateness of Daily Products

The growing demand for halal cosmetic products has exposed significant challenges, especially in Muslim-majority countries. Recently, various machine learning-based strategies, e.g., image-based methods, have shown remarkable success in predicting the halal status of cosmetics. However, these methods mainly focus on analyzing the discrete and specific ingredients within separate cosmetics, which ignore the high-order and complex relations between cosmetics and ingredients. To address this problem, we propose a halal cosmetic recommendation framework, namely HaCKG, that leverages a knowledge graph of cosmetics and their ingredients to explicitly model and capture the relationships between cosmetics and their components. By representing cosmetics and ingredients as entities within the knowledge graph, HaCKG effectively learns the high-order and complex relations between entities, offering a robust method for predicting halal status. Specifically, we first construct a cosmetic knowledge graph representing the relations between various cosmetics, ingredients, and their properties. We then propose a pre-trained relational graph attention network model with residual connections to learn the structural relation between entities in the knowledge graph. The pre-trained model is then fine-tuned on downstream cosmetic data to predict halal status. Extensive experiments on the cosmetic dataset over halal prediction tasks demonstrate the superiority of our model over state-of-the-art baselines.

Relational Multi-Agent Reinforcement Learning for Dynamic Pricing in High-Speed Railway Markets

In liberalised railway systems, operators must set prices dynamically in an environment with partial observability, as they retain private information about their objectives and performance, where regulatory constraints prohibit communication or direct information exchange between competitors to prevent explicit collusion. Consequently, agents must learn to infer strategic interactions only from observable market data which presents a significant challenge for multi-agent reinforcement learning, where standard approaches typically treat observations as unstructured vectors, ignoring the underlying market topology that governs strategic interactions. To address this, an entity graph modelling approach is proposed, which represents the environment as a graph of operational units, rather than decision-making agents or static infrastructure, encoding competition, coordination, and connectivity relations between entities. Then, an extension of the multi-agent twin delayed deep deterministic policy gradient algorithm with graph-based representation learning processes the features of the entities through a multi-layer relational graph convolutional network and aggregates them via a learnt attention mechanism. Experimental results in a rail pricing reinforcement learning environment show that this novel framework achieves higher revenue and stability in two different settings of increasing market complexity compared to a representative selection of relational and non-relational baselines. The code is publicly available at: https://github.com/Kinrre/RelationalRailPricing-RL

  • 5 authors
·
Jul 5

Contextualized Messages Boost Graph Representations

Graph neural networks (GNNs) have gained significant attention in recent years for their ability to process data that may be represented as graphs. This has prompted several studies to explore their representational capability based on the graph isomorphism task. Notably, these works inherently assume a countable node feature representation, potentially limiting their applicability. Interestingly, only a few study GNNs with uncountable node feature representation. In the paper, a new perspective on the representational capability of GNNs is investigated across all levelsx2014node-level, neighborhood-level, and graph-levelx2014when the space of node feature representation is uncountable. Specifically, the injective and metric requirements of previous works are softly relaxed by employing a pseudometric distance on the space of input to create a soft-injective function such that distinct inputs may produce similar outputs if and only if the pseudometric deems the inputs to be sufficiently similar on some representation. As a consequence, a simple and computationally efficient soft-isomorphic relational graph convolution network (SIR-GCN) that emphasizes the contextualized transformation of neighborhood feature representations via anisotropic and dynamic message functions is proposed. Furthermore, a mathematical discussion on the relationship between SIR-GCN and key GNNs in literature is laid out to put the contribution into context, establishing SIR-GCN as a generalization of classical GNN methodologies. To close, experiments on synthetic and benchmark datasets demonstrate the relative superiority of SIR-GCN, outperforming comparable models in node and graph property prediction tasks.

  • 4 authors
·
Mar 19, 2024

Neural Bellman-Ford Networks: A General Graph Neural Network Framework for Link Prediction

Link prediction is a very fundamental task on graphs. Inspired by traditional path-based methods, in this paper we propose a general and flexible representation learning framework based on paths for link prediction. Specifically, we define the representation of a pair of nodes as the generalized sum of all path representations, with each path representation as the generalized product of the edge representations in the path. Motivated by the Bellman-Ford algorithm for solving the shortest path problem, we show that the proposed path formulation can be efficiently solved by the generalized Bellman-Ford algorithm. To further improve the capacity of the path formulation, we propose the Neural Bellman-Ford Network (NBFNet), a general graph neural network framework that solves the path formulation with learned operators in the generalized Bellman-Ford algorithm. The NBFNet parameterizes the generalized Bellman-Ford algorithm with 3 neural components, namely INDICATOR, MESSAGE and AGGREGATE functions, which corresponds to the boundary condition, multiplication operator, and summation operator respectively. The NBFNet is very general, covers many traditional path-based methods, and can be applied to both homogeneous graphs and multi-relational graphs (e.g., knowledge graphs) in both transductive and inductive settings. Experiments on both homogeneous graphs and knowledge graphs show that the proposed NBFNet outperforms existing methods by a large margin in both transductive and inductive settings, achieving new state-of-the-art results.

  • 4 authors
·
Jun 13, 2021

HAGE: Harnessing Agentic Memory via RL-Driven Weighted Graph Evolution

Memory retrieval in agentic large language model (LLM) systems is often treated as a static lookup problem, relying on flat vector search or fixed binary relational graphs. However, fixed graph structures cannot capture the varying strength, confidence, and query-dependent relevance of relationships between events. In this paper, we propose HAGE, a weighted multi-relational memory framework that reconceptualizes retrieval as sequential, query-conditioned traversal over a unified relational memory graph. Memory is organized as relation-specific graph views over shared memory nodes, where each edge is associated with a trainable relation feature vector encoding multiple relational signals. Given a query, an LLM-based classifier identifies the relational intent, and a routing network dynamically modulates the corresponding dimensions of the edge embedding. Traversal scores are computed via a learned combination of semantic similarity and these query-conditioned edge representations. This allows memory traversal to prioritize high-utility relational paths while softly suppressing noisy or weakly relevant connections. Beyond adaptive traversal, HAGE further introduces a reinforcement learning-based training framework that jointly optimizes routing behavior and edge representations using downstream tasks. Finally, empirical results demonstrate improved long-horizon reasoning accuracy and a favorable accuracy-efficiency trade-off compared to state-of-the-art agentic memory systems. Our code is available at https://github.com/FredJiang0324/HAGE_MVPReview.

  • 5 authors
·
May 10 1

SAGE-Nav: Leveraging LLM Planning and Alignment Fusion for Hierarchical Scene Graph-Guided Navigation

Object-Goal Navigation (ObjNav) requires embodied agents to autonomously locate specified targets using only egocentric visual observations. Existing monolithic methods struggle with long-horizon reasoning and generalize poorly to novel environments. To address these limitations, we propose SAGE-Nav, a novel hierarchical framework that integrates the reasoning capabilities of Large Language Models (LLMs) with dynamic scene graphs. Crucially, it decouples asynchronous global semantic planning from the high-frequency reactive control loop. The LLM serves as a global planner, decomposing abstract instructions into a sequence of semantically grounded waypoints. To translate these plans into dense multi-modal guidance, we design a Hierarchical Scene Graph Encoder (HSGE) that leverages relational graph convolutions to produce structure-aware embeddings preserving both semantic and spatial topology. Furthermore, we develop the Goal-aware Alignment-Fusion Network (GAFN) to dynamically fuse real-time perception with these structural priors. Using an adaptive gating mechanism with an explicit inductive bias, GAFN ensures robust visual-topological alignment for the low-level policy. Extensive evaluations in the i-THOR and RoboTHOR environments demonstrate that SAGE-Nav achieves state-of-the-art performance, delivering substantial gains in navigation efficiency and zero-shot generalization while maintaining the low control latency required for physical robotic deployment.

  • 5 authors
·
Jun 23

Logic Induced High-Order Reasoning Network for Event-Event Relation Extraction

To understand a document with multiple events, event-event relation extraction (ERE) emerges as a crucial task, aiming to discern how natural events temporally or structurally associate with each other. To achieve this goal, our work addresses the problems of temporal event relation extraction (TRE) and subevent relation extraction (SRE). The latest methods for such problems have commonly built document-level event graphs for global reasoning across sentences. However, the edges between events are usually derived from external tools heuristically, which are not always reliable and may introduce noise. Moreover, they are not capable of preserving logical constraints among event relations, e.g., coreference constraint, symmetry constraint and conjunction constraint. These constraints guarantee coherence between different relation types,enabling the generation of a uniffed event evolution graph. In this work, we propose a novel method named LogicERE, which performs high-order event relation reasoning through modeling logic constraints. Speciffcally, different from conventional event graphs, we design a logic constraint induced graph (LCG) without any external tools. LCG involves event nodes where the interactions among them can model the coreference constraint, and event pairs nodes where the interactions among them can retain the symmetry constraint and conjunction constraint. Then we perform high-order reasoning on LCG with relational graph transformer to obtain enhanced event and event pair embeddings. Finally, we further incorporate logic constraint information via a joint logic learning module. Extensive experiments demonstrate the effectiveness of the proposed method with state-of-the-art performance on benchmark datasets.

  • 5 authors
·
Dec 19, 2024

Multimodal Medical Code Tokenizer

Foundation models trained on patient electronic health records (EHRs) require tokenizing medical data into sequences of discrete vocabulary items. Existing tokenizers treat medical codes from EHRs as isolated textual tokens. However, each medical code is defined by its textual description, its position in ontological hierarchies, and its relationships to other codes, such as disease co-occurrences and drug-treatment associations. Medical vocabularies contain more than 600,000 codes with critical information for clinical reasoning. We introduce MedTok, a multimodal medical code tokenizer that uses the text descriptions and relational context of codes. MedTok processes text using a language model encoder and encodes the relational structure with a graph encoder. It then quantizes both modalities into a unified token space, preserving modality-specific and cross-modality information. We integrate MedTok into five EHR models and evaluate it on operational and clinical tasks across in-patient and out-patient datasets, including outcome prediction, diagnosis classification, drug recommendation, and risk stratification. Swapping standard EHR tokenizers with MedTok improves AUPRC across all EHR models, by 4.10% on MIMIC-III, 4.78% on MIMIC-IV, and 11.32% on EHRShot, with the largest gains in drug recommendation. Beyond EHR modeling, we demonstrate using MedTok tokenizer with medical QA systems. Our results demonstrate the potential of MedTok as a unified tokenizer for medical codes, improving tokenization for medical foundation models.

  • 8 authors
·
Jun 28, 2025

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

GRAVITY: Architecture-Agnostic Structured Anchoring for Long-Horizon Conversational Memory

Long-horizon conversational agents rely on memory systems with increasingly sophisticated retrieval mechanisms. However, retrieved fragments are typically fed to the language model as unstructured text, lacking the relational, temporal, and thematic structures essential for complex reasoning. To bridge this reasoning gap, we introduce GRAVITY (Generation-time Relational Anchoring Via Injected Topological MemorY), a plug-and-play structured memory module. GRAVITY extracts three complementary knowledge representations from raw conversational utterances: entity profiles grounded in relational graphs, temporal event tuples linked into causal traces, and cross-session topic summaries. At generation time, it injects these representations into the host system's prompt as structured anchoring contexts. This approach effectively synthesizes scattered evidence into a coherent, query-relevant context without requiring any architectural modifications to the host model. Extensive evaluations across five diverse memory systems on the LongMemEval and LoCoMo benchmarks demonstrate the efficacy of our approach. On average, GRAVITY improves LLM-judge accuracy by 7.5--10.1%. Gains are inversely correlated with baseline strength: the weakest host improves by 12.2% while the strongest still gains 3.8--5.7%. These findings establish structured context anchoring as a broadly effective, architecture-agnostic augmentation paradigm for long-horizon conversational memory.

  • 5 authors
·
May 2

Who to Trust in Multi-Robot Systems: Joint Robot and Object Hypothesis Trust Inference via Neural-Symbolic Cross-Validation

Multi-robot systems (MRS) offer significant advantages over single-robot platforms by enabling information sharing and coordination for different tasks in complex environments. However, reliable cooperation critically depends on inferring trust over both information sources and their reported hypotheses, particularly under partial observability and potential adversarial interference. Existing approaches frequently depend on pre-established trust relationships or side-channel information, which may not be available or reliable in realistic MRS deployments. This work introduces NeST-Bayes, a neural-symbolic framework that jointly infers robot and hypothesis trust using only inter-robot observation consistency, without requiring preassigned robot trust, reputation information, or side-channel identity signals. NeST-Bayes infers instantaneous trust evidence scores for robots and object hypotheses by reasoning over ego-centric relational graphs constructed from cross-robot observation consistency. These evidence scores are accumulated over time through Bayesian updates of Beta-distributed trust beliefs to maintain temporally consistent trust estimates. Extensive evaluations show that NeST-Bayes achieves the highest mean object precision and robot recall across all benchmark settings, and the highest robot precision and object recall in most settings, compared to trust-based methods. Under aggressive optimized attacks, it achieves 98.8\% robot precision with 93.8\% recall and 98.3\% object precision with 95.4\% recall. In an occlusion-rich Webots warehouse, it maintains 92.5\% robot precision with 92.0\% recall and 97.3\% object precision with 85.0\% recall. These results demonstrate joint improvements in the reliability and coverage of retained information.

The Gate Always Closes: On Injecting Auxiliary Signals into Frozen Vision-Language Models

Auxiliary signal pathways in VLMs are routinely fitted with learnable gates so the optimiser can decide how much of the signal to admit. We find that the optimiser almost always decides on zero: across five injection designs, every gated pathway becomes behaviourally closed, with accuracy invariant to ablating the pathway at inference even when the gate parameter would nominally pass 30-45% of the signal. We attribute this suppression phenomenon to two regimes, a dead-gradient regime formalised through the caption-invariance of image-derived signals, and a negative-utility regime in which the auxiliary signal actively hurts the loss. Rather than fight suppression, we exploit it: we regularise LoRA fine-tuning with geometric auxiliary losses from hyperbolic visual relational graphs (IoA-driven entailment cones and angular repulsion on the Lorentz manifold), coupled only through the forward pass at training time and dropped at inference. Disaggregating GQA by question type exposes a clean dissociation. Three configurations without geometric losses at inference lose 2.85-3.39pp on relational questions while gaining ~1pp on attribute questions; a fourth that trains with the losses but infers through a soft prompt loses 5.14pp on rel for only +0.23pp on attr, so training-time regularisation alone does not protect relational accuracy without a geometric inference pathway. Configurations that keep the geometric pathway at inference preserve vanilla-level relational accuracy and match the attribute gain. Out of distribution on VSR, the RMS-prefix recipe preserves the spatial signal; stripping the geometric losses (G2) collapses VSR by 4.6pp, isolating them as the OOD source. A secondary result: embedding-norm alignment is necessary for generation-safe prefix injection, and learnable gates should be replaced with fixed, non-optional injection at matched scales.

  • 5 authors
·
Jul 24

LLM-driven Indoor Scene Layout Generation via Scaled Human-aligned Data Synthesis and Multi-Stage Preference Optimization

Automatic indoor layout generation has attracted increasing attention due to its potential in interior design, virtual environment construction, and embodied AI. Existing methods fall into two categories: prompt-driven approaches that leverage proprietary LLM services (e.g., GPT APIs) and learning-based methods trained on layout data upon diffusion-based models. Prompt-driven methods often suffer from spatial inconsistency and high computational costs, while learning-based methods are typically constrained by coarse relational graphs and limited datasets, restricting their generalization to diverse room categories. In this paper, we revisit LLM-based indoor layout generation and present 3D-SynthPlace, a large-scale dataset that combines synthetic layouts generated via a 'GPT synthesize, Human inspect' pipeline, upgraded from the 3D-Front dataset. 3D-SynthPlace contains nearly 17,000 scenes, covering four common room types -- bedroom, living room, kitchen, and bathroom -- enriched with diverse objects and high-level spatial annotations. We further introduce OptiScene, a strong open-source LLM optimized for indoor layout generation, fine-tuned based on our 3D-SynthPlace dataset through our two-stage training. For the warum-up stage I, we adopt supervised fine-tuning (SFT), which is taught to first generate high-level spatial descriptions then conditionally predict concrete object placements. For the reinforcing stage II, to better align the generated layouts with human design preferences, we apply multi-turn direct preference optimization (DPO), which significantly improving layout quality and generation success rates. Extensive experiments demonstrate that OptiScene outperforms traditional prompt-driven and learning-based baselines. Moreover, OptiScene shows promising potential in interactive tasks such as scene editing and robot navigation.

  • 8 authors
·
Jun 9, 2025

HyperFormer: Enhancing Entity and Relation Interaction for Hyper-Relational Knowledge Graph Completion

Hyper-relational knowledge graphs (HKGs) extend standard knowledge graphs by associating attribute-value qualifiers to triples, which effectively represent additional fine-grained information about its associated triple. Hyper-relational knowledge graph completion (HKGC) aims at inferring unknown triples while considering its qualifiers. Most existing approaches to HKGC exploit a global-level graph structure to encode hyper-relational knowledge into the graph convolution message passing process. However, the addition of multi-hop information might bring noise into the triple prediction process. To address this problem, we propose HyperFormer, a model that considers local-level sequential information, which encodes the content of the entities, relations and qualifiers of a triple. More precisely, HyperFormer is composed of three different modules: an entity neighbor aggregator module allowing to integrate the information of the neighbors of an entity to capture different perspectives of it; a relation qualifier aggregator module to integrate hyper-relational knowledge into the corresponding relation to refine the representation of relational content; a convolution-based bidirectional interaction module based on a convolutional operation, capturing pairwise bidirectional interactions of entity-relation, entity-qualifier, and relation-qualifier. realize the depth perception of the content related to the current statement. Furthermore, we introduce a Mixture-of-Experts strategy into the feed-forward layers of HyperFormer to strengthen its representation capabilities while reducing the amount of model parameters and computation. Extensive experiments on three well-known datasets with four different conditions demonstrate HyperFormer's effectiveness. Datasets and code are available at https://github.com/zhiweihu1103/HKGC-HyperFormer.

  • 5 authors
·
Aug 12, 2023

NQE: N-ary Query Embedding for Complex Query Answering over Hyper-Relational Knowledge Graphs

Complex query answering (CQA) is an essential task for multi-hop and logical reasoning on knowledge graphs (KGs). Currently, most approaches are limited to queries among binary relational facts and pay less attention to n-ary facts (n>=2) containing more than two entities, which are more prevalent in the real world. Moreover, previous CQA methods can only make predictions for a few given types of queries and cannot be flexibly extended to more complex logical queries, which significantly limits their applications. To overcome these challenges, in this work, we propose a novel N-ary Query Embedding (NQE) model for CQA over hyper-relational knowledge graphs (HKGs), which include massive n-ary facts. The NQE utilizes a dual-heterogeneous Transformer encoder and fuzzy logic theory to satisfy all n-ary FOL queries, including existential quantifiers, conjunction, disjunction, and negation. We also propose a parallel processing algorithm that can train or predict arbitrary n-ary FOL queries in a single batch, regardless of the kind of each query, with good flexibility and extensibility. In addition, we generate a new CQA dataset WD50K-NFOL, including diverse n-ary FOL queries over WD50K. Experimental results on WD50K-NFOL and other standard CQA datasets show that NQE is the state-of-the-art CQA method over HKGs with good generalization capability. Our code and dataset are publicly available.

  • 9 authors
·
Mar 30, 2023

AkasicMEM: Governed Enterprise Memory for Agents

Agent memory enables enterprise agents to retain knowledge acquired during work and reuse it across tasks and agents, turning execution experience into persistent organizational knowledge. Realizing this potential requires both source--memory integration, through which enterprise sources and accumulated memory can be utilized together, and memory governance, through which shared memory remains subject to organizational policies throughout its lifecycle. These requirements interact when information from enterprise sources persists in memory. As this information is repeatedly derived and reused under changing principals and policies, source restrictions may be bypassed, resulting in information leakage. Preventing such leakage requires authorization continuity, under which source restrictions remain effective throughout source-to-memory and memory-to-memory derivation and reuse. Existing approaches address these concerns individually, but do not treat source--memory integration, memory governance, and authorization continuity as combined core design targets across the memory lifecycle. We define Governed Enterprise Memory as agent memory designed around this combined scope and present AkasicMEM as its realization. AkasicMEM realizes authorization continuity through transitive lineage, policy composition during memory formation, and policy re-evaluation during retrieval. It is built on GraphAI's AkasicDB, a unified vector--graph--relational database whose storage and execution substrate enables the underlying operations of these mechanisms to be jointly optimized and executed.

graphai2022 GraphAI
·
Sep 21

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
·
Oct 17, 2024

DRG-MAPPO: Hierarchical Dynamic Role-Graph Multi-Agent Reinforcement Learning for Cooperative Air Combat

Multi-Agent Reinforcement Learning (MARL) has emerged as a pivotal paradigm for complex decision-making in autonomous systems and air combat. While MARL has demonstrated significant potential in air combat, achieving sophisticated tactical coordination remains a non-trivial challenge. This difficulty is largely attributed to two primary limitations: (1) the absence of structured relational modeling hinders agents from capturing complex, time-varying interactions among battlefield entities; and (2) conventional flat architectures often lack the capability to explicitly model tactical roles, leading to ambiguous task allocation in highly dynamic environments. To address these challenges, we propose Hierarchical Dynamic Role-Graph Multi-Agent Proximal Policy Optimization (DRG-MAPPO), a novel MARL framework that integrates graph-based relational modeling with dynamic role assignment. Specifically, DRG-MAPPO constructs a graph-based representation of battlefield interactions and leverages graph attention mechanisms to extract critical relational features among allies, enemies, and threats. Subsequently, a high-level policy employs a dynamic role assignment mechanism to determine tactical responsibilities (e.g., ``leader'' and ``supporter''). Conditioned on these roles and encoded graph-relational features, a low-level policy executes discrete maneuver actions, facilitating the joint optimization of tactical strategy and collaborative execution. Furthermore, a target-priority auxiliary task is designed to foster the emergence of behaviors such as focus-fire. Experimental results demonstrate that DRG-MAPPO achieves a state-of-the-art win rate of 87%, suggesting that our framework effectively balances relational modeling, interpretability, and optimization stability for cooperative air combat.

HM-RAG: Hierarchical Multi-Agent Multimodal Retrieval Augmented Generation

While Retrieval-Augmented Generation (RAG) augments Large Language Models (LLMs) with external knowledge, conventional single-agent RAG remains fundamentally limited in resolving complex queries demanding coordinated reasoning across heterogeneous data ecosystems. We present HM-RAG, a novel Hierarchical Multi-agent Multimodal RAG framework that pioneers collaborative intelligence for dynamic knowledge synthesis across structured, unstructured, and graph-based data. The framework is composed of three-tiered architecture with specialized agents: a Decomposition Agent that dissects complex queries into contextually coherent sub-tasks via semantic-aware query rewriting and schema-guided context augmentation; Multi-source Retrieval Agents that carry out parallel, modality-specific retrieval using plug-and-play modules designed for vector, graph, and web-based databases; and a Decision Agent that uses consistency voting to integrate multi-source answers and resolve discrepancies in retrieval results through Expert Model Refinement. This architecture attains comprehensive query understanding by combining textual, graph-relational, and web-derived evidence, resulting in a remarkable 12.95% improvement in answer accuracy and a 3.56% boost in question classification accuracy over baseline RAG systems on the ScienceQA and CrisisMMD benchmarks. Notably, HM-RAG establishes state-of-the-art results in zero-shot settings on both datasets. Its modular architecture ensures seamless integration of new data modalities while maintaining strict data governance, marking a significant advancement in addressing the critical challenges of multimodal reasoning and knowledge synthesis in RAG systems. Code is available at https://github.com/ocean-luna/HMRAG.

  • 7 authors
·
Apr 13, 2025

Relational Deep Learning: Graph Representation Learning on Relational Databases

Much of the world's most valued data is stored in relational databases and data warehouses, where the data is organized into many tables connected by primary-foreign key relations. However, building machine learning models using this data is both challenging and time consuming. The core problem is that no machine learning method is capable of learning on multiple tables interconnected by primary-foreign key relations. Current methods can only learn from a single table, so the data must first be manually joined and aggregated into a single training table, the process known as feature engineering. Feature engineering is slow, error prone and leads to suboptimal models. Here we introduce an end-to-end deep representation learning approach to directly learn on data laid out across multiple tables. We name our approach Relational Deep Learning (RDL). The core idea is to view relational databases as a temporal, heterogeneous graph, with a node for each row in each table, and edges specified by primary-foreign key links. Message Passing Graph Neural Networks can then automatically learn across the graph to extract representations that leverage all input data, without any manual feature engineering. Relational Deep Learning leads to more accurate models that can be built much faster. To facilitate research in this area, we develop RelBench, a set of benchmark datasets and an implementation of Relational Deep Learning. The data covers a wide spectrum, from discussions on Stack Exchange to book reviews on the Amazon Product Catalog. Overall, we define a new research area that generalizes graph machine learning and broadens its applicability to a wide set of AI use cases.

  • 9 authors
·
Dec 7, 2023

Graph-Aware Isomorphic Attention for Adaptive Dynamics in Transformers

We present an approach to modifying Transformer architectures by integrating graph-aware relational reasoning into the attention mechanism, merging concepts from graph neural networks and language modeling. Building on the inherent connection between attention and graph theory, we reformulate the Transformer's attention mechanism as a graph operation and propose Graph-Aware Isomorphic Attention. This method leverages advanced graph modeling strategies, including Graph Isomorphism Networks (GIN) and Principal Neighborhood Aggregation (PNA), to enrich the representation of relational structures. Our approach captures complex dependencies and generalizes across tasks, as evidenced by a reduced generalization gap and improved learning performance. Additionally, we expand the concept of graph-aware attention to introduce Sparse GIN-Attention, a fine-tuning approach that employs sparse GINs. By interpreting attention matrices as sparse adjacency graphs, this technique enhances the adaptability of pre-trained foundational models with minimal computational overhead, endowing them with graph-aware capabilities. Sparse GIN-Attention fine-tuning achieves improved training dynamics and better generalization compared to alternative methods like low-rank adaption (LoRA). We discuss latent graph-like structures within traditional attention mechanisms, offering a new lens through which Transformers can be understood. By evolving Transformers as hierarchical GIN models for relational reasoning. This perspective suggests profound implications for foundational model development, enabling the design of architectures that dynamically adapt to both local and global dependencies. Applications in bioinformatics, materials science, language modeling, and beyond could benefit from this synthesis of relational and sequential data modeling, setting the stage for interpretable and generalizable modeling strategies.

  • 1 authors
·
Jan 4, 2025 2

Relation-Aware Graph Foundation Model

In recent years, large language models (LLMs) have demonstrated remarkable generalization capabilities across various natural language processing (NLP) tasks. Similarly, graph foundation models (GFMs) have emerged as a promising direction in graph learning, aiming to generalize across diverse datasets through large-scale pre-training. However, unlike language models that rely on explicit token representations, graphs lack a well-defined unit for generalization, making it challenging to design effective pre-training strategies. In this work, we propose REEF, a novel framework that leverages relation tokens as the basic units for GFMs. Inspired by the token vocabulary in LLMs, we construct a relation vocabulary of relation tokens to store relational information within graphs. To accommodate diverse relations, we introduce two hypernetworks that adaptively generate the parameters of aggregators and classifiers in graph neural networks based on relation tokens. In addition, we design another hypernetwork to construct dataset-specific projectors and incorporate a dataset-level feature bias into the initial node representations, enhancing flexibility across different datasets with the same relation. Further, we adopt graph data augmentation and a mixed-dataset pre-training strategy, allowing REEF to capture relational diversity more effectively and exhibit strong generalization capabilities. Extensive experiments show that REEF significantly outperforms existing methods on both pre-training and transfer learning tasks, underscoring its potential as a powerful foundation model for graph-based applications.

  • 6 authors
·
May 16, 2025

Coupling Perception and Reasoning in Federated Multimodal Graph Foundation Models

Federated multimodal graph foundation models (GFMs) aim to adapt pretrained multimodal models to decentralized graph data, where each client owns a private multimodal graph and cannot share raw information. These models typically combine a multimodal Encoder that extracts semantic evidence from heterogeneous modalities and a graph neural network (GNN) that performs relational reasoning over graph structures. However, existing federated GFM adaptation methods mainly update graph-side modules while keeping the multimodal Encoder frozen, limiting adaptation to how information is propagated while fixing what information is extracted. Through empirical studies, we reveal that Encoder and GNN adaptations are not independent: Encoder adaptation is affected by graph relations, while cross-client module swapping reveals substantial pairing sensitivity between separately parameterized Encoder and GNN updates. Motivated by this observation, we propose FedCORE, a federated adaptation framework that represents Encoder and GNN updates through a shared low-dimensional latent state. FedCORE jointly optimizes this core from multimodal and structural signals and performs federated evolution directly in the shared state space, preserving compatibility between perception and reasoning adaptations. Extensive experiments demonstrate that FedCORE reduces the Encoder--GNN pairing gap from 30.6 to 5.9, corresponding to an 80.7% reduction over independent joint adaptation.

  • 10 authors
·
Sep 23

AptMQL-Bench: From Text-to-SQL to Text-to-MQL via Access-Pattern Schema Design and Data-Preserving Migration

Document databases such as MongoDB are core infrastructure for modern applications, and natural-language interfaces to them---text-to-MQL---would let non-experts query complex, semi-structured data without mastering the query language. Progress on this task depends on high-quality benchmarks, which are most practically obtained by converting an existing text-to-SQL benchmark to the document setting. Unfortunately, existing efforts rely on heuristics for mechanical conversion: the document schema mirrors the relational foreign-key graph, and each query mirrors its source SQL. As a result in our experiments, these approaches fail to migrate 6 of 21 BIRD databases outright, silently drop up to 25.9\% of rows on others, and yield schemas whose ground-truth queries run over an order of magnitude slower as the data scales. We instead propose a conversion pipeline, driven by coding agents with human-in-the-loop verification, that designs each document schema from expected access patterns and rewrites queries to be MongoDB-native. Applying it to BIRD, we build an access-pattern-based text-to-MQL benchmark (AptMQL-Bench). It includes 21 document-oriented databases, 3,186 natural-language requests, and their associated MQL queries---whose databases are migrated from SQLite without data loss and scale efficiently. The strongest model, Claude Opus 4.5, achieves only 57.38\% accuracy without external knowledge evidence and 70.34\% with it. This indicates that realistic text-to-MQL generation remains challenging.

  • 3 authors
·
Oct 1

Conditional Graph Information Bottleneck for Molecular Relational Learning

Molecular relational learning, whose goal is to learn the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. Recently, graph neural networks have recently shown great success in molecular relational learning by modeling a molecule as a graph structure, and considering atom-level interactions between two molecules. Despite their success, existing molecular relational learning methods tend to overlook the nature of chemistry, i.e., a chemical compound is composed of multiple substructures such as functional groups that cause distinctive chemical reactions. In this work, we propose a novel relational learning framework, called CGIB, that predicts the interaction behavior between a pair of graphs by detecting core subgraphs therein. The main idea is, given a pair of graphs, to find a subgraph from a graph that contains the minimal sufficient information regarding the task at hand conditioned on the paired graph based on the principle of conditional graph information bottleneck. We argue that our proposed method mimics the nature of chemical reactions, i.e., the core substructure of a molecule varies depending on which other molecule it interacts with. Extensive experiments on various tasks with real-world datasets demonstrate the superiority of CGIB over state-of-the-art baselines. Our code is available at https://github.com/Namkyeong/CGIB.

  • 6 authors
·
Apr 28, 2023

Relational inductive biases, deep learning, and graph networks

Artificial intelligence (AI) has undergone a renaissance recently, making major progress in key domains such as vision, language, control, and decision-making. This has been due, in part, to cheap data and cheap compute resources, which have fit the natural strengths of deep learning. However, many defining characteristics of human intelligence, which developed under much different pressures, remain out of reach for current approaches. In particular, generalizing beyond one's experiences--a hallmark of human intelligence from infancy--remains a formidable challenge for modern AI. The following is part position paper, part review, and part unification. We argue that combinatorial generalization must be a top priority for AI to achieve human-like abilities, and that structured representations and computations are key to realizing this objective. Just as biology uses nature and nurture cooperatively, we reject the false choice between "hand-engineering" and "end-to-end" learning, and instead advocate for an approach which benefits from their complementary strengths. We explore how using relational inductive biases within deep learning architectures can facilitate learning about entities, relations, and rules for composing them. We present a new building block for the AI toolkit with a strong relational inductive bias--the graph network--which generalizes and extends various approaches for neural networks that operate on graphs, and provides a straightforward interface for manipulating structured knowledge and producing structured behaviors. We discuss how graph networks can support relational reasoning and combinatorial generalization, laying the foundation for more sophisticated, interpretable, and flexible patterns of reasoning. As a companion to this paper, we have released an open-source software library for building graph networks, with demonstrations of how to use them in practice.

  • 27 authors
·
Jun 4, 2018

Systematic Relational Reasoning With Epistemic Graph Neural Networks

Developing models that can learn to reason is a notoriously challenging problem. We focus on reasoning in relational domains, where the use of Graph Neural Networks (GNNs) seems like a natural choice. However, previous work has shown that regular GNNs lack the ability to systematically generalize from training examples on test graphs requiring longer inference chains, which fundamentally limits their reasoning abilities. A common solution relies on neuro-symbolic methods that systematically reason by learning rules, but their scalability is often limited and they tend to make unrealistically strong assumptions, e.g.\ that the answer can always be inferred from a single relational path. We propose the Epistemic GNN (EpiGNN), a novel parameter-efficient and scalable GNN architecture with an epistemic inductive bias for systematic reasoning. Node embeddings in EpiGNNs are treated as epistemic states, and message passing is implemented accordingly. We show that EpiGNNs achieve state-of-the-art results on link prediction tasks that require systematic reasoning. Furthermore, for inductive knowledge graph completion, EpiGNNs rival the performance of state-of-the-art specialized approaches. Finally, we introduce two new benchmarks that go beyond standard relational reasoning by requiring the aggregation of information from multiple paths. Here, existing neuro-symbolic approaches fail, yet EpiGNNs learn to reason accurately. Code and datasets are available at https://github.com/erg0dic/gnn-sg.

  • 2 authors
·
Jul 24, 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

Graph-to-Table Interfaces Control Relational Generalisation

Graph-to-table systems combine three design choices: an encoder that maps relational evidence to feature rows, a context constructor that selects labelled examples, and a tabular decoder. We investigate whether these components can be evaluated independently through matched comparisons that change one component while holding the rest of the pipeline and the evaluation constant. Across logistic regression, CATBOOST, and TABPFN-3 on CLUTRR, 57 GraphLog worlds, and 57 knowledge graphs, we show that conclusions about one component can change when the others change. On CLUTRR, absolute positional encodings maintain all distinctions among the evaluated queries and fit the short-path setting nearly perfectly; yet, they generalise worse than relation-count features because the supported prefix acts as a shortcut that breaks down on longer paths. On GraphLog, encoder preference depends on the decoder, while the relation-count representation degrades as CatBoost tree depth increases. Across different knowledge graphs, adding the frozen ULTRA score to local features is consistently useful, whereas adding local features to the score has a smaller and less stable effect. A pointwise TABPFN-3 readout using the full encoder underperforms native ULTRA on 48 of 57 datasets. These results show that encoder assessment depends jointly on context and decoder, while panel-level conclusions can also depend on evaluation and aggregation protocols.

  • 5 authors
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Oct 18

Improving Embedded Knowledge Graph Multi-hop Question Answering by introducing Relational Chain Reasoning

Knowledge Graph Question Answering (KGQA) aims to answer user-questions from a knowledge graph (KG) by identifying the reasoning relations between topic entity and answer. As a complex branch task of KGQA, multi-hop KGQA requires reasoning over the multi-hop relational chain preserved in KG to arrive at the right answer. Despite recent successes, the existing works on answering multi-hop complex questions still face the following challenges: i) The absence of an explicit relational chain order reflected in user-question stems from a misunderstanding of a user's intentions. ii) Incorrectly capturing relational types on weak supervision of which dataset lacks intermediate reasoning chain annotations due to expensive labeling cost. iii) Failing to consider implicit relations between the topic entity and the answer implied in structured KG because of limited neighborhoods size constraint in subgraph retrieval-based algorithms.To address these issues in multi-hop KGQA, we propose a novel model herein, namely Relational Chain based Embedded KGQA (Rce-KGQA), which simultaneously utilizes the explicit relational chain revealed in natural language question and the implicit relational chain stored in structured KG. Our extensive empirical study on three open-domain benchmarks proves that our method significantly outperforms the state-of-the-art counterparts like GraftNet, PullNet and EmbedKGQA. Comprehensive ablation experiments also verify the effectiveness of our method on the multi-hop KGQA task. We have made our model's source code available at github: https://github.com/albert-jin/Rce-KGQA.

  • 6 authors
·
Oct 25, 2021

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

4DBInfer: A 4D Benchmarking Toolbox for Graph-Centric Predictive Modeling on Relational DBs

Although RDBs store vast amounts of rich, informative data spread across interconnected tables, the progress of predictive machine learning models as applied to such tasks arguably falls well behind advances in other domains such as computer vision or natural language processing. This deficit stems, at least in part, from the lack of established/public RDB benchmarks as needed for training and evaluation purposes. As a result, related model development thus far often defaults to tabular approaches trained on ubiquitous single-table benchmarks, or on the relational side, graph-based alternatives such as GNNs applied to a completely different set of graph datasets devoid of tabular characteristics. To more precisely target RDBs lying at the nexus of these two complementary regimes, we explore a broad class of baseline models predicated on: (i) converting multi-table datasets into graphs using various strategies equipped with efficient subsampling, while preserving tabular characteristics; and (ii) trainable models with well-matched inductive biases that output predictions based on these input subgraphs. Then, to address the dearth of suitable public benchmarks and reduce siloed comparisons, we assemble a diverse collection of (i) large-scale RDB datasets and (ii) coincident predictive tasks. From a delivery standpoint, we operationalize the above four dimensions (4D) of exploration within a unified, scalable open-source toolbox called 4DBInfer. We conclude by presenting evaluations using 4DBInfer, the results of which highlight the importance of considering each such dimension in the design of RDB predictive models, as well as the limitations of more naive approaches such as simply joining adjacent tables. Our source code is released at https://github.com/awslabs/multi-table-benchmark .

  • 20 authors
·
Apr 27, 2024

Graph Deep Learning for Time Series Forecasting

Graph-based deep learning methods have become popular tools to process collections of correlated time series. Differently from traditional multivariate forecasting methods, neural graph-based predictors take advantage of pairwise relationships by conditioning forecasts on a (possibly dynamic) graph spanning the time series collection. The conditioning can take the form of an architectural inductive bias on the neural forecasting architecture, resulting in a family of deep learning models called spatiotemporal graph neural networks. Such relational inductive biases enable the training of global forecasting models on large time-series collections, while at the same time localizing predictions w.r.t. each element in the set (i.e., graph nodes) by accounting for local correlations among them (i.e., graph edges). Indeed, recent theoretical and practical advances in graph neural networks and deep learning for time series forecasting make the adoption of such processing frameworks appealing and timely. However, most of the studies in the literature focus on proposing variations of existing neural architectures by taking advantage of modern deep learning practices, while foundational and methodological aspects have not been subject to systematic investigation. To fill the gap, this paper aims to introduce a comprehensive methodological framework that formalizes the forecasting problem and provides design principles for graph-based predictive models and methods to assess their performance. At the same time, together with an overview of the field, we provide design guidelines, recommendations, and best practices, as well as an in-depth discussion of open challenges and future research directions.

  • 4 authors
·
Oct 24, 2023

Subgraph Reconstruction Attacks on Graph RAG Deployments with Practical Defenses

Graph-based retrieval-augmented generation (Graph RAG) is increasingly deployed to support LLM applications by augmenting user queries with structured knowledge retrieved from a knowledge graph. While Graph RAG improves relational reasoning, it introduces a largely understudied threat: adversaries can reconstruct subgraphs from a target RAG system's knowledge graph, enabling privacy inference and replication of curated knowledge assets. We show that existing attacks are largely ineffective against Graph RAG even with simple prompt-based safeguards, because these attacks expose explicit exfiltration intent and are therefore easily suppressed by lightweight safe prompts. We identify three technical challenges for practical Graph RAG extraction under realistic safeguards and introduce GRASP, a closed-box, multi-turn subgraph reconstruction attack. GRASP (i) reframes extraction as a context-processing task, (ii) enforces format-compliant, instance-grounded outputs via per-record identifiers to reduce hallucinations and preserve relational details, and (iii) diversifies goal-driven attack queries using a momentum-aware scheduler to operate within strict query budgets. Across two real-world knowledge graphs, four safety-aligned LLMs, and multiple Graph RAG frameworks, GRASP attains the strongest type-faithful reconstruction where prior methods fail, reaching up to 82.9 F1. We further evaluate defenses and propose two lightweight mitigations that substantially reduce reconstruction fidelity without utility loss.

  • 6 authors
·
Feb 5

Detection Recovery in Online Multi-Object Tracking with Sparse Graph Tracker

In existing joint detection and tracking methods, pairwise relational features are used to match previous tracklets to current detections. However, the features may not be discriminative enough for a tracker to identify a target from a large number of detections. Selecting only high-scored detections for tracking may lead to missed detections whose confidence score is low. Consequently, in the online setting, this results in disconnections of tracklets which cannot be recovered. In this regard, we present Sparse Graph Tracker (SGT), a novel online graph tracker using higher-order relational features which are more discriminative by aggregating the features of neighboring detections and their relations. SGT converts video data into a graph where detections, their connections, and the relational features of two connected nodes are represented by nodes, edges, and edge features, respectively. The strong edge features allow SGT to track targets with tracking candidates selected by top-K scored detections with large K. As a result, even low-scored detections can be tracked, and the missed detections are also recovered. The robustness of K value is shown through the extensive experiments. In the MOT16/17/20 and HiEve Challenge, SGT outperforms the state-of-the-art trackers with real-time inference speed. Especially, a large improvement in MOTA is shown in the MOT20 and HiEve Challenge. Code is available at https://github.com/HYUNJS/SGT.

  • 4 authors
·
May 2, 2022

RLIPv2: Fast Scaling of Relational Language-Image Pre-training

Relational Language-Image Pre-training (RLIP) aims to align vision representations with relational texts, thereby advancing the capability of relational reasoning in computer vision tasks. However, hindered by the slow convergence of RLIPv1 architecture and the limited availability of existing scene graph data, scaling RLIPv1 is challenging. In this paper, we propose RLIPv2, a fast converging model that enables the scaling of relational pre-training to large-scale pseudo-labelled scene graph data. To enable fast scaling, RLIPv2 introduces Asymmetric Language-Image Fusion (ALIF), a mechanism that facilitates earlier and deeper gated cross-modal fusion with sparsified language encoding layers. ALIF leads to comparable or better performance than RLIPv1 in a fraction of the time for pre-training and fine-tuning. To obtain scene graph data at scale, we extend object detection datasets with free-form relation labels by introducing a captioner (e.g., BLIP) and a designed Relation Tagger. The Relation Tagger assigns BLIP-generated relation texts to region pairs, thus enabling larger-scale relational pre-training. Through extensive experiments conducted on Human-Object Interaction Detection and Scene Graph Generation, RLIPv2 shows state-of-the-art performance on three benchmarks under fully-finetuning, few-shot and zero-shot settings. Notably, the largest RLIPv2 achieves 23.29mAP on HICO-DET without any fine-tuning, yields 32.22mAP with just 1% data and yields 45.09mAP with 100% data. Code and models are publicly available at https://github.com/JacobYuan7/RLIPv2.

  • 10 authors
·
Aug 18, 2023

HiGPT: Heterogeneous Graph Language Model

Heterogeneous graph learning aims to capture complex relationships and diverse relational semantics among entities in a heterogeneous graph to obtain meaningful representations for nodes and edges. Recent advancements in heterogeneous graph neural networks (HGNNs) have achieved state-of-the-art performance by considering relation heterogeneity and using specialized message functions and aggregation rules. However, existing frameworks for heterogeneous graph learning have limitations in generalizing across diverse heterogeneous graph datasets. Most of these frameworks follow the "pre-train" and "fine-tune" paradigm on the same dataset, which restricts their capacity to adapt to new and unseen data. This raises the question: "Can we generalize heterogeneous graph models to be well-adapted to diverse downstream learning tasks with distribution shifts in both node token sets and relation type heterogeneity?'' To tackle those challenges, we propose HiGPT, a general large graph model with Heterogeneous graph instruction-tuning paradigm. Our framework enables learning from arbitrary heterogeneous graphs without the need for any fine-tuning process from downstream datasets. To handle distribution shifts in heterogeneity, we introduce an in-context heterogeneous graph tokenizer that captures semantic relationships in different heterogeneous graphs, facilitating model adaptation. We incorporate a large corpus of heterogeneity-aware graph instructions into our HiGPT, enabling the model to effectively comprehend complex relation heterogeneity and distinguish between various types of graph tokens. Furthermore, we introduce the Mixture-of-Thought (MoT) instruction augmentation paradigm to mitigate data scarcity by generating diverse and informative instructions. Through comprehensive evaluations, our proposed framework demonstrates exceptional performance in terms of generalization performance.

  • 7 authors
·
Feb 25, 2024

GraphTeam: Facilitating Large Language Model-based Graph Analysis via Multi-Agent Collaboration

Graphs are widely used for modeling relational data in real-world scenarios, such as social networks and urban computing. Existing LLM-based graph analysis approaches either integrate graph neural networks (GNNs) for specific machine learning tasks, limiting their transferability, or rely solely on LLMs' internal reasoning ability, resulting in suboptimal performance. To address these limitations, we take advantage of recent advances in LLM-based agents, which have shown capabilities of utilizing external knowledge or tools for problem solving. By simulating human problem-solving strategies such as analogy and collaboration, we propose a multi-agent system based on LLMs named GraphTeam, for graph analysis. GraphTeam consists of five LLM-based agents from three modules, and the agents with different specialities can collaborate with each other to address complex problems. Specifically, (1) input-output normalization module: the question agent extracts and refines four key arguments from the original question, facilitating the problem understanding, and the answer agent organizes the results to meet the output requirement; (2) external knowledge retrieval module: we first build a knowledge base consisting of relevant documentation and experience information, and then the search agent retrieves the most relevant entries for each question. (3) problem-solving module: given the retrieved information from search agent, the coding agent uses established algorithms via programming to generate solutions, and in case the coding agent does not work, the reasoning agent will directly compute the results without programming. Extensive experiments on six graph analysis benchmarks demonstrate that GraphTeam achieves state-of-the-art performance with an average 25.85% improvement over the best baseline in terms of accuracy. The code and data are available at https://github.com/BUPT-GAMMA/GraphTeam.

  • 10 authors
·
Oct 23, 2024

LinearRAG: Linear Graph Retrieval Augmented Generation on Large-scale Corpora

Retrieval-Augmented Generation (RAG) is widely used to mitigate hallucinations of Large Language Models (LLMs) by leveraging external knowledge. While effective for simple queries, traditional RAG systems struggle with large-scale, unstructured corpora where information is fragmented. Recent advances incorporate knowledge graphs to capture relational structures, enabling more comprehensive retrieval for complex, multi-hop reasoning tasks. However, existing graph-based RAG (GraphRAG) methods rely on unstable and costly relation extraction for graph construction, often producing noisy graphs with incorrect or inconsistent relations that degrade retrieval quality. In this paper, we revisit the pipeline of existing GraphRAG systems and propose LinearRAG (Linear Graph-based Retrieval-Augmented Generation), an efficient framework that enables reliable graph construction and precise passage retrieval. Specifically, LinearRAG constructs a relation-free hierarchical graph, termed Tri-Graph, using only lightweight entity extraction and semantic linking, avoiding unstable relation modeling. This new paradigm of graph construction scales linearly with corpus size and incurs no extra token consumption, providing an economical and reliable indexing of the original passages. For retrieval, LinearRAG adopts a two-stage strategy: (i) relevant entity activation via local semantic bridging, followed by (ii) passage retrieval through global importance aggregation. Extensive experiments on four datasets demonstrate that LinearRAG significantly outperforms baseline models.

  • 8 authors
·
Oct 11, 2025

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

Enhancing Graph Representations with Neighborhood-Contextualized Message-Passing

Graph neural networks (GNNs) have become an indispensable tool for analyzing relational data. In the literature, classical GNNs may be classified into three variants: convolutional, attentional, and message-passing. While the standard message-passing variant is highly expressive, its typical pair-wise messages nevertheless only consider the features of the center node and each neighboring node individually. This design fails to incorporate the rich contextual information contained within the broader local neighborhood, potentially hindering its ability to learn complex relationships within the entire set of neighboring nodes. To address this limitation, this work first formalizes the concept of neighborhood-contextualization, rooted in a key property of the attentional variant. This then serves as the foundation for generalizing the message-passing variant to the proposed neighborhood-contextualized message-passing (NCMP) framework. To demonstrate its utility, a simple, practical, and efficient method to parametrize and operationalize NCMP is presented, leading to the development of the proposed Soft-Isomorphic Neighborhood-Contextualized Graph Convolution Network (SINC-GCN). A preliminary analysis on a synthetic binary node classification problem then underscores both the expressivity and efficiency of the proposed GNN architecture. Overall, the paper lays the foundation for the novel NCMP framework as a practical path toward further enhancing the graph representational power of classical GNNs.

  • 1 authors
·
Nov 14, 2025

GraphICL: Unlocking Graph Learning Potential in LLMs through Structured Prompt Design

The growing importance of textual and relational systems has driven interest in enhancing large language models (LLMs) for graph-structured data, particularly Text-Attributed Graphs (TAGs), where samples are represented by textual descriptions interconnected by edges. While research has largely focused on developing specialized graph LLMs through task-specific instruction tuning, a comprehensive benchmark for evaluating LLMs solely through prompt design remains surprisingly absent. Without such a carefully crafted evaluation benchmark, most if not all, tailored graph LLMs are compared against general LLMs using simplistic queries (e.g., zero-shot reasoning with LLaMA), which can potentially camouflage many advantages as well as unexpected predicaments of them. To achieve more general evaluations and unveil the true potential of LLMs for graph tasks, we introduce Graph In-context Learning (GraphICL) Benchmark, a comprehensive benchmark comprising novel prompt templates designed to capture graph structure and handle limited label knowledge. Our systematic evaluation shows that general-purpose LLMs equipped with our GraphICL outperform state-of-the-art specialized graph LLMs and graph neural network models in resource-constrained settings and out-of-domain tasks. These findings highlight the significant potential of prompt engineering to enhance LLM performance on graph learning tasks without training and offer a strong baseline for advancing research in graph LLMs.

  • 5 authors
·
Jan 26, 2025

Graph is a Substrate Across Data Modalities

Graphs provide a natural representation of relational structure that arises across diverse domains. Despite this ubiquity, graph structure is typically learned in a modality- and task-isolated manner, where graph representations are constructed within individual task contexts and discarded thereafter. As a result, structural regularities across modalities and tasks are repeatedly reconstructed rather than accumulated at the level of intermediate graph representations. This motivates a representation-learning question: how should graph structure be organized so that it can persist and accumulate across heterogeneous modalities and tasks? We adopt a representation-centric perspective in which graph structure is treated as a structural substrate that persists across learning contexts. To instantiate this perspective, we propose G-Substrate, a graph substrate framework that organizes learning around shared graph structures. G-Substrate comprises two complementary mechanisms: a unified structural schema that ensures compatibility among graph representations across heterogeneous modalities and tasks, and an interleaved role-based training strategy that exposes the same graph structure to multiple functional roles during learning. Experiments across multiple domains, modalities, and tasks show that G-Substrate outperforms task-isolated and naive multi-task learning methods. The codebase, model, and datasets are available at https://github.com/zmli6/G-Substrate.

  • 9 authors
·
May 25

VL-MemKnG: Hybrid Memory with a Spatio-Temporal Knowledge Graph for Question Answering over Long Egocentric Navigation Trajectories

Answering navigation-relevant questions over long egocentric videos requires retrieving and organizing evidence distributed across distant temporal moments while maintaining spatial and contextual consistency. Although long-context vision--language models can achieve strong answer quality, they are computationally expensive for long trajectories and inefficient for repeated querying. Recent graph-based approaches such as VL-KnG address this challenge through persistent spatio-temporal knowledge graphs, but graph-centric retrieval alone may underrepresent broader temporal continuity and contextual cues. We present VL-MemKnG, a hybrid memory framework that extends VL-KnG by combining a spatio-temporal knowledge graph with persistent segment-level contextual memory. The knowledge graph captures structured relational information and long-range object associations, while segment-level memory preserves broader temporal context for long-horizon evidence retrieval. A hybrid retrieval-and-reasoning module jointly operates over both memory representations to produce evidence-grounded answers and temporally organized supporting evidence. We also introduce WalkieKnowledgeT+, an extension of WalkieKnowledge for long-horizon navigation-oriented video question answering. The benchmark includes temporally distributed reasoning tasks requiring evidence aggregation across multiple non-cooccurring moments. On WalkieKnowledgeT+, VL-MemKnG improves Top-1 retrieval accuracy from 58% to 67% and Recall@1 from 34.50% to 40.55%, outperforming all compared methods, including Gemini 2.5 Pro and Qwen 3.5+. The gains are particularly pronounced on temporal-global and temporally scattered aggregation questions, demonstrating the benefits of combining structured relational memory with segment-level contextual memory while maintaining efficient query-time inference.

  • 5 authors
·
Jun 14

Scalable Message-Passing Quantum Graph Neural Networks in the Weisfeiler-Leman Hierarchy

Graphs provide a natural language for relational data in chemistry, biology and optimisation. Graph neural networks (GNNs) have driven much of the recent progress in learning from such data through message passing, a single primitive that generalises convolution and attention. Quantum counterparts have been proposed, but with limited connection to message passing and few guarantees on performance or scalability. More broadly, the trainability of variational quantum circuits is a recognised bottleneck for their wide applicability, and pre-training has emerged as one way to address it. Yet for a quantum model to be useful, it must offer expressivity guarantees along with demonstrable scalability. Here we show how a quantum graph neural network can be built to perform message passing, to be permutation equivariant, and to sit at a chosen level of the Weisfeiler-Leman hierarchy, the standard measure of how finely a model can tell graphs apart. We show that, as for classical GNNs, the training can be done first on small graph instances, allowing for a pre-training that can mitigate usual training issues, and its output can be read out at a cost that stays low as the graph grows. We validate the framework in large-scale simulations of up to 56 qubits across three datasets, on synthetic graphs that ordinary message passing cannot separate, on molecular property prediction, and on the travelling salesperson problem. Our framework opens a path for near-term quantum algorithms with theoretical guarantees and practical scalability, bringing the principles of graph learning into quantum circuit design.

  • 6 authors
·
Jun 25

Procedural Graphs: Self-Evolving Execution Structures for LLM Agents

Large language models are increasingly deployed as agents that plan over long horizons and act through external tools. Most agents select actions through unconstrained generation over an accumulating history, leaving implicit the procedural knowledge of what to do, in what order, and under which conditions. As trajectories lengthen, agents can lose track of their objectives, invoke tools out of order, and repeat unproductive actions. We introduce the Procedural Graph: just as a knowledge graph organizes factual knowledge into (entity, relation, entity) triplets for what-is questions, a Procedural Graph organizes procedural knowledge into (procedure, relation, procedure) triplets for what-to-do questions. At each decision step, the framework localizes the agent's active node, and a guidance model translates the surrounding subgraph into step-level situational guidance that biases the solver's next action without dictating it. The graph is self-evolving: an LLM refiner contrasts failed trajectories with successful ones and edits the graph's topology and attributes, committing edits that preserve or improve held-out validation performance while retaining rejected ones to discourage repetition. Starting from a minimal skeleton, the loop builds graphs that match or surpass hand-designed ones. It can also repair a flawed expert prior. Across multiple datasets, task types, and LLMs, the Procedural Graph delivers consistent gains over memory-based baselines, and self-evolution further improves performance without manual engineering.

google Google
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Sep 7 2

OpenGraph: Towards Open Graph Foundation Models

Graph learning has become indispensable for interpreting and harnessing relational data in diverse fields, ranging from recommendation systems to social network analysis. In this context, a variety of GNNs have emerged as promising methodologies for encoding the structural information of graphs. By effectively capturing the graph's underlying structure, these GNNs have shown great potential in enhancing performance in graph learning tasks, such as link prediction and node classification. However, despite their successes, a significant challenge persists: these advanced methods often face difficulties in generalizing to unseen graph data that significantly differs from the training instances. In this work, our aim is to advance the graph learning paradigm by developing a general graph foundation model. This model is designed to understand the complex topological patterns present in diverse graph data, enabling it to excel in zero-shot graph learning tasks across different downstream datasets. To achieve this goal, we address several key technical challenges in our OpenGraph model. Firstly, we propose a unified graph tokenizer to adapt our graph model to generalize well on unseen graph data, even when the underlying graph properties differ significantly from those encountered during training. Secondly, we develop a scalable graph transformer as the foundational encoder, which effectively captures node-wise dependencies within the global topological context. Thirdly, we introduce a data augmentation mechanism enhanced by a LLM to alleviate the limitations of data scarcity in real-world scenarios. Extensive experiments validate the effectiveness of our framework. By adapting our OpenGraph to new graph characteristics and comprehending the nuances of diverse graphs, our approach achieves remarkable zero-shot graph learning performance across various settings and domains.

  • 3 authors
·
Mar 2, 2024

Interpretable graph-based models on multimodal biomedical data integration: A technical review and benchmarking

Integrating heterogeneous biomedical data including imaging, omics, and clinical records supports accurate diagnosis and personalised care. Graph-based models fuse such non-Euclidean data by capturing spatial and relational structure, yet clinical uptake requires regulator-ready interpretability. We present the first technical survey of interpretable graph based models for multimodal biomedical data, covering 26 studies published between Jan 2019 and Sep 2024. Most target disease classification, notably cancer and rely on static graphs from simple similarity measures, while graph-native explainers are rare; post-hoc methods adapted from non-graph domains such as gradient saliency, and SHAP predominate. We group existing approaches into four interpretability families, outline trends such as graph-in-graph hierarchies, knowledge-graph edges, and dynamic topology learning, and perform a practical benchmark. Using an Alzheimer disease cohort, we compare Sensitivity Analysis, Gradient Saliency, SHAP and Graph Masking. SHAP and Sensitivity Analysis recover the broadest set of known AD pathways and Gene-Ontology terms, whereas Gradient Saliency and Graph Masking surface complementary metabolic and transport signatures. Permutation tests show all four beat random gene sets, but with distinct trade-offs: SHAP and Graph Masking offer deeper biology at higher compute cost, while Gradient Saliency and Sensitivity Analysis are quicker though coarser. We also provide a step-by-step flowchart covering graph construction, explainer choice and resource budgeting to help researchers balance transparency and performance. This review synthesises the state of interpretable graph learning for multimodal medicine, benchmarks leading techniques, and charts future directions, from advanced XAI tools to under-studied diseases, serving as a concise reference for method developers and translational scientists.

  • 6 authors
·
May 3, 2025

Learning Efficient and Generalizable Graph Retriever for Knowledge-Graph Question Answering

Large Language Models (LLMs) have shown strong inductive reasoning ability across various domains, but their reliability is hindered by the outdated knowledge and hallucinations. Retrieval-Augmented Generation mitigates these issues by grounding LLMs with external knowledge; however, most existing RAG pipelines rely on unstructured text, limiting interpretability and structured reasoning. Knowledge graphs, which represent facts as relational triples, offer a more structured and compact alternative. Recent studies have explored integrating knowledge graphs with LLMs for knowledge graph question answering (KGQA), with a significant proportion adopting the retrieve-then-reasoning paradigm. In this framework, graph-based retrievers have demonstrated strong empirical performance, yet they still face challenges in generalization ability. In this work, we propose RAPL, a novel framework for efficient and effective graph retrieval in KGQA. RAPL addresses these limitations through three aspects: (1) a two-stage labeling strategy that combines heuristic signals with parametric models to provide causally grounded supervision; (2) a model-agnostic graph transformation approach to capture both intra- and inter-triple interactions, thereby enhancing representational capacity; and (3) a path-based reasoning strategy that facilitates learning from the injected rational knowledge, and supports downstream reasoner through structured inputs. Empirically, RAPL outperforms state-of-the-art methods by 2.66%-20.34%, and significantly reduces the performance gap between smaller and more powerful LLM-based reasoners, as well as the gap under cross-dataset settings, highlighting its superior retrieval capability and generalizability. Codes are available at: https://github.com/tianyao-aka/RAPL.

  • 6 authors
·
Jun 11, 2025

FloydNet: A Learning Paradigm for Global Relational Reasoning

Developing models capable of complex, multi-step reasoning is a central goal in artificial intelligence. While representing problems as graphs is a powerful approach, Graph Neural Networks (GNNs) are fundamentally constrained by their message-passing mechanism, which imposes a local bottleneck that limits global, holistic reasoning. We argue that dynamic programming (DP), which solves problems by iteratively refining a global state, offers a more powerful and suitable learning paradigm. We introduce FloydNet, a new architecture that embodies this principle. In contrast to local message passing, FloydNet maintains a global, all-pairs relationship tensor and learns a generalized DP operator to progressively refine it. This enables the model to develop a task-specific relational calculus, providing a principled framework for capturing long-range dependencies. Theoretically, we prove that FloydNet achieves 3-WL (2-FWL) expressive power, and its generalized form aligns with the k-FWL hierarchy. FloydNet demonstrates state-of-the-art performance across challenging domains: it achieves near-perfect scores (often >99\%) on the CLRS-30 algorithmic benchmark, finds exact optimal solutions for the general Traveling Salesman Problem (TSP) at rates significantly exceeding strong heuristics, and empirically matches the 3-WL test on the BREC benchmark. Our results establish this learned, DP-style refinement as a powerful and practical alternative to message passing for high-level graph reasoning.

  • 3 authors
·
Jan 26

GILT: An LLM-Free, Tuning-Free Graph Foundational Model for In-Context Learning

Graph Neural Networks (GNNs) are powerful tools for processing relational data but often struggle to generalize to unseen graphs, giving rise to the development of Graph Foundational Models (GFMs). However, current GFMs are challenged by the extreme heterogeneity of graph data, where each graph can possess a unique feature space, label set, and topology. To address this, two main paradigms have emerged. The first leverages Large Language Models (LLMs), but is fundamentally text-dependent, thus struggles to handle the numerical features in vast graphs. The second pre-trains a structure-based model, but the adaptation to new tasks typically requires a costly, per-graph tuning stage, creating a critical efficiency bottleneck. In this work, we move beyond these limitations and introduce Graph In-context Learning Transformer (GILT), a framework built on an LLM-free and tuning-free architecture. GILT introduces a novel token-based framework for in-context learning (ICL) on graphs, reframing classification tasks spanning node, edge and graph levels in a unified framework. This mechanism is the key to handling heterogeneity, as it is designed to operate on generic numerical features. Further, its ability to understand class semantics dynamically from the context enables tuning-free adaptation. Comprehensive experiments show that GILT achieves stronger few-shot performance with significantly less time than LLM-based or tuning-based baselines, validating the effectiveness of our approach. Our code is available at: https://github.com/yiming421/inductnode/.

  • 5 authors
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May 21

Knowledge-Graph Paths as Intermediate Supervision for Self-Evolving Search Agents

Self-evolving search agents reduce reliance on human-written training questions by generating and solving their own search tasks. We build on Search Self-Play (SSP), a representative Proposer and Solver framework in which questions are generated and answered via multi-step search and reasoning. In practice, however, SSP faces two bottlenecks: the Proposer constructs questions from isolated answer entities without relational context, yielding many invalid or unverifiable questions in early self-play training, while the Solver receives only a binary outcome reward that discards useful signal from partially on-track search trajectories. We address both bottlenecks by reusing knowledge-graph paths as construction-derived intermediate supervision for both question construction and reward shaping. First, we ground question construction in LLM-guided knowledge-graph subgraphs, providing relational context for the Proposer. Second, we observe that constructing and solving a multi-hop question can involve overlapping intermediate entities: the factual bridges used to formulate the question may provide approximate waypoints for answering it. Exploiting this overlap, we introduce Waypoint Coverage Reward (WCR), which grants graded partial credit to incorrect Solver trajectories according to their coverage of entities on the construction path, while preserving full reward for correct answers. Across seven QA benchmarks and nine model configurations, our approach improves the average score over standard SSP in all configurations, including notable gains on multi-hop QA tasks. These results suggest that knowledge-graph paths can be reused as lightweight intermediate supervision, providing both relational guidance and process feedback without additional task-specific human annotations or manually labeled process steps.

  • 6 authors
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May 6

Robustness of Graph Self-Supervised Learning to Real-World Noise: A Case Study on Text-Driven Biomedical Graphs

Graph Self-Supervised Learning (GSSL) offers a powerful paradigm for learning graph representations without labeled data. However, existing work assumes clean, manually curated graphs. Recent advances in NLP enable the large-scale automatic extraction of knowledge graphs from text, opening new opportunities for GSSL while introducing substantial real-world noise. This type of noise remains largely unexplored, as prior robustness studies typically rely on synthetic perturbations. To address this gap, we present the first comprehensive evaluation of GSSL methods on text-driven graphs for unsupervised term typing. We introduce Noise-Aware Text-Driven Graph GSSL (NATD-GSSL), a unified framework that combines automatic graph construction, graph refinement, and GSSL. Our evaluation follows a dual-graph protocol that contrasts a noisy graph derived from MedMentions with a clean Unified Medical Language System (UMLS) reference graph, aligned through a shared gold standard. Our results reveal variability in robustness across both pretext tasks and Graph Neural Network (GNN) architectures. Relation reconstruction is highly sensitive to noise and benefits from well-defined schemas, whereas feature reconstruction is considerably more robust, achieving performance comparable to clean-graph settings. Contrastive objectives are generally less affected by noise but depend strongly on alignment with downstream tasks. GNN architecture also plays a critical role: bidirectional relational message-passing designs are better suited to noisy, text-driven graphs, while unidirectional relational ones perform best on clean graphs. Overall, NATD-GSSL provides practical guidance for applying GSSL to real-world, noisy graphs and achieves up to a 7\% improvement over pretrained language model baselines. All code and benchmarks are publicly available at https://github.com/OthmaneKabal/MC2GAE.

  • 5 authors
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May 5

Graph-Native Reinforcement Learning Enables Traceable Scientific Hypothesis Generation through Conceptual Recombination

Accelerating materials discovery requires AI systems that can generate scientifically valid hypotheses through multi-step, domain-grounded reasoning. Standard large language models often produce fluent but weakly traceable responses to open-ended materials design problems, making it difficult to determine whether final answers are supported by coherent intermediate reasoning. We develop Graph-PRefLexOR, a family of graph-native reasoning models fine-tuned with Group Relative Policy Optimization (GRPO) to organize reasoning into explicit phases for mechanism exploration, graph construction, pattern extraction, and hypothesis synthesis. This design links neural language generation with symbolic relational structure, enabling causal connections to be constructed, inspected, and reused. On 100 open-ended questions from materials science and mechanics literature, Graph-PRefLexOR achieves 40-65% improvements over corresponding base models, with the largest gains in reasoning traceability. Embedding analyses show broader semantic exploration and approximately 2-3 times greater semantic diversity than baselines. Semantic backtracking and layer-wise hidden-state analyses further show stronger alignment between structured reasoning and final answers. Finally, test-time graph expansion reveals that additional compute primarily increases long-range conceptual recombination within a bounded semantic space, rather than simply expanding semantic coverage. These results establish graph-native reinforcement learning as a pathway toward interpretable AI systems for scientific hypothesis generation in materials design and other scientific applications.

Measuring Graph-to-Graph Semantic Similarity in Knowledge Graphs: An Empirical Evaluation of Knowledge Graph Embeddings

A Knowledge Graph (KG) represents facts as structured triples and is widely used to organize relational knowledge across diverse domains. Just as textual information ranges from words and sentences to complete documents, KG information can be interpreted at multiple levels, from entities, relations, and triples to subgraphs and entire KGs. However, existing KG embedding methods mainly focus on entities, relations, and triples, leaving graph-level semantics largely unaddressed. Conventional graph-level methods, which typically compare graphs based on structural patterns, are also insufficient because structural similarity alone cannot guarantee semantic similarity between KGs. To evaluate how well different methods capture such graph-level semantic information, we study graph-to-graph semantic similarity, which determines whether a pair of KGs represents semantically corresponding underlying information. To obtain reliable ground-truth correspondences, we construct a semantic matching dataset by modifying text documents, extracting KGs from both original and modified documents, and transferring their known correspondences to KG pairs. We compare text-based, structure-based, and KG embedding-based approaches on each dataset. For the KG embedding-based approach, we introduce two scoring functions: EmbPairSim, which uses maximal pairwise entity similarity, and AvgEmbSim, which uses a frequency-weighted centroid. Experiments on WikiText-2 and CC-News show that EmbPairSim achieves up to 5.3 pp higher MRR than Sentence-BERT while using substantially fewer parameters. These results suggest that KGE representations can serve as compact and effective signals for graph-to-graph semantic similarity in KGs. Our code is available at https://github.com/SeungRyeolBaek/KG-to-KG-Semantic-Similarity.

  • 3 authors
·
Jun 29

From Sequence to Structure: Relational Uncertainty Propagation for LLM Agents

Reliable uncertainty quantification (UQ) is essential for deploying large language model (LLM) agents in complex interactive environments. Existing UQ methods largely rely on local signals, such as token probabilities, predictive entropy, or per-step confidence, and therefore overlook the long-range dependencies through which errors accumulate across an execution trajectory. As a result, they may fail to identify agent failures whose causes originate several reasoning or interaction steps before the final answer. We propose RUPA (Relational Uncertainty Propagation for Agents), a trajectory-level UQ framework for LLM agents. RUPA represents an execution history as a directed trajectory graph in which reasoning states, tool interactions, and environment feedback are nodes connected by temporal and semantic dependency edges. It then propagates uncertainty over this graph to capture how execution risk accumulates and transfers across interaction steps. The propagated signal is combined with trajectory-level behavioral features and goal-alignment information to produce a confidence estimate for the full agent trajectory. We evaluate RUPA on representative agent benchmarks, including τ-2, Terminal-Bench-2, and GAIA, using 6 open-source LLMs spanning multiple model families. Experimental results show that RUPA consistently outperforms existing UQ methods by providing more accurate uncertainty estimates, enabling earlier failure detection, and improving uncertainty-guided agent execution across diverse agent tasks. These results demonstrate that explicitly modeling relational dependency is crucial to reliable UQ for long-horizon LLM agents, providing a practical foundation for trustworthy agent execution.

ICIP ICIP
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Aug 18 2

Differentially Private Relational Learning with Entity-level Privacy Guarantees

Learning with relational and network-structured data is increasingly vital in sensitive domains where protecting the privacy of individual entities is paramount. Differential Privacy (DP) offers a principled approach for quantifying privacy risks, with DP-SGD emerging as a standard mechanism for private model training. However, directly applying DP-SGD to relational learning is challenging due to two key factors: (i) entities often participate in multiple relations, resulting in high and difficult-to-control sensitivity; and (ii) relational learning typically involves multi-stage, potentially coupled (interdependent) sampling procedures that make standard privacy amplification analyses inapplicable. This work presents a principled framework for relational learning with formal entity-level DP guarantees. We provide a rigorous sensitivity analysis and introduce an adaptive gradient clipping scheme that modulates clipping thresholds based on entity occurrence frequency. We also extend the privacy amplification results to a tractable subclass of coupled sampling, where the dependence arises only through sample sizes. These contributions lead to a tailored DP-SGD variant for relational data with provable privacy guarantees. Experiments on fine-tuning text encoders over text-attributed network-structured relational data demonstrate the strong utility-privacy trade-offs of our approach. Our code is available at https://github.com/Graph-COM/Node_DP.

  • 5 authors
·
Feb 2