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May 7

Synthesizing Multi-Agent Harnesses for Vulnerability Discovery

LLM agents have begun to find real security vulnerabilities that human auditors and automated fuzzers missed for decades, in source-available targets where the analyst can build and instrument the code. In practice the work is split among several agents, wired together by a harness: the program that fixes which roles exist, how they pass information, which tools each may call, and how retries are coordinated. When the language model is held fixed, changing only the harness can still change success rates by several-fold on public agent benchmarks, yet most harnesses are written by hand; recent harness optimizers each search only a narrow slice of the design space and rely on coarse pass/fail feedback that gives no diagnostic signal about why a trial failed. AgentFlow addresses both limitations with a typed graph DSL whose search space jointly covers agent roles, prompts, tools, communication topology, and coordination protocol, paired with a feedback-driven outer loop that reads runtime signals from the target program itself to diagnose which part of the harness caused the failure and rewrite it accordingly. We evaluate AgentFlow on TerminalBench-2 with Claude Opus 4.6 and on Google Chrome with Kimi K2.5. AgentFlow reaches 84.3% on TerminalBench-2, the highest score in the public leaderboard snapshot we evaluate against, and discovers ten previously unknown zero-day vulnerabilities in Google Chrome, including two Critical sandbox-escape vulnerabilities (CVE-2026-5280 and CVE-2026-6297).

  • 7 authors
·
Apr 21

Learning to Represent Programs with Heterogeneous Graphs

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

  • 5 authors
·
Dec 7, 2020

What Kind of Programming Language Best Suits Integrative AGI?

What kind of programming language would be most appropriate to serve the needs of integrative, multi-paradigm, multi-software-system approaches to AGI? This question is broached via exploring the more particular question of how to create a more scalable and usable version of the "Atomese" programming language that forms a key component of the OpenCog AGI design (an "Atomese 2.0") . It is tentatively proposed that the core of Atomese 2.0 should be a very flexible framework of rewriting rules for rewriting a metagraph (where the rules themselves are represented within the same metagraph, and some of the intermediate data created and used during the rule-interpretation process may be represented in the same metagraph). This framework should support concurrent rewriting of the metagraph according to rules that are labeled with various sorts of uncertainty-quantifications, and that are labeled with various sorts of types associated with various type systems. A gradual typing approach should be used to enable mixture of rules and other metagraph nodes/links associated with various type systems, and untyped metagraph nodes/links not associated with any type system. This must be done in a way that allows reasonable efficiency and scalability, including in concurrent and distributed processing contexts, in the case where a large percentage of of processing time is occupied with evaluating static pattern-matching queries on specific subgraphs of a large metagraph (including a rich variety of queries such as matches against nodes representing variables, and matches against whole subgraphs, etc.).

  • 1 authors
·
Apr 10, 2020

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
·
Apr 2

BRIDGES: Bridging Graph Modality and Large Language Models within EDA Tasks

While many EDA tasks already involve graph-based data, existing LLMs in EDA primarily either represent graphs as sequential text, or simply ignore graph-structured data that might be beneficial like dataflow graphs of RTL code. Recent studies have found that LLM performance suffers when graphs are represented as sequential text, and using additional graph information significantly boosts performance. To address these challenges, we introduce BRIDGES, a framework designed to incorporate graph modality into LLMs for EDA tasks. BRIDGES integrates an automated data generation workflow, a solution that combines graph modality with LLM, and a comprehensive evaluation suite. First, we establish an LLM-driven workflow to generate RTL and netlist-level data, converting them into dataflow and netlist graphs with function descriptions. This workflow yields a large-scale dataset comprising over 500,000 graph instances and more than 1.5 billion tokens. Second, we propose a lightweight cross-modal projector that encodes graph representations into text-compatible prompts, enabling LLMs to effectively utilize graph data without architectural modifications. Experimental results demonstrate 2x to 10x improvements across multiple tasks compared to text-only baselines, including accuracy in design retrieval, type prediction and perplexity in function description, with negligible computational overhead (<1% model weights increase and <30% additional runtime overhead). Even without additional LLM finetuning, our results outperform text-only by a large margin. We plan to release BRIDGES, including the dataset, models, and training flow.

  • 6 authors
·
Apr 7, 2025

High-performance symbolic-numerics via multiple dispatch

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

  • 7 authors
·
May 9, 2021

DSPy: Compiling Declarative Language Model Calls into Self-Improving Pipelines

The ML community is rapidly exploring techniques for prompting language models (LMs) and for stacking them into pipelines that solve complex tasks. Unfortunately, existing LM pipelines are typically implemented using hard-coded "prompt templates", i.e. lengthy strings discovered via trial and error. Toward a more systematic approach for developing and optimizing LM pipelines, we introduce DSPy, a programming model that abstracts LM pipelines as text transformation graphs, i.e. imperative computational graphs where LMs are invoked through declarative modules. DSPy modules are parameterized, meaning they can learn (by creating and collecting demonstrations) how to apply compositions of prompting, finetuning, augmentation, and reasoning techniques. We design a compiler that will optimize any DSPy pipeline to maximize a given metric. We conduct two case studies, showing that succinct DSPy programs can express and optimize sophisticated LM pipelines that reason about math word problems, tackle multi-hop retrieval, answer complex questions, and control agent loops. Within minutes of compiling, a few lines of DSPy allow GPT-3.5 and llama2-13b-chat to self-bootstrap pipelines that outperform standard few-shot prompting (generally by over 25% and 65%, respectively) and pipelines with expert-created demonstrations (by up to 5-46% and 16-40%, respectively). On top of that, DSPy programs compiled to open and relatively small LMs like 770M-parameter T5 and llama2-13b-chat are competitive with approaches that rely on expert-written prompt chains for proprietary GPT-3.5. DSPy is available at https://github.com/stanfordnlp/dspy

  • 13 authors
·
Oct 5, 2023 2

Leveraging LLMs to support co-evolution between definitions and instances of textual DSLs

Software languages evolve over time for various reasons, such as the addition of new features. When the language's grammar definition evolves, textual instances that originally conformed to the grammar become outdated. For DSLs in a model-driven engineering context, there exists a plethora of techniques to co-evolve models with the evolving metamodel. However, these techniques are not geared to support DSLs with a textual syntax -- applying them to textual language definitions and instances may lead to the loss of information from the original instances, such as comments and layout information, which are valuable for software comprehension and maintenance. This study explores the potential of Large Language Model (LLM)-based solutions in achieving grammar and instance co-evolution, with attention to their ability to preserve auxiliary information when directly processing textual instances. By applying two advanced language models, Claude-3.5 and GPT-4o, and conducting experiments across seven case languages, we evaluated the feasibility and limitations of this approach. Our results indicate a good ability of the considered LLMs for migrating textual instances in small-scale cases with limited instance size, which are representative of a subset of cases encountered in practice. In addition, we observe significant challenges with the scalability of LLM-based solutions to larger instances, leading to insights that are useful for informing future research.

  • 3 authors
·
Dec 7, 2025

Learning Type Inference for Enhanced Dataflow Analysis

Statically analyzing dynamically-typed code is a challenging endeavor, as even seemingly trivial tasks such as determining the targets of procedure calls are non-trivial without knowing the types of objects at compile time. Addressing this challenge, gradual typing is increasingly added to dynamically-typed languages, a prominent example being TypeScript that introduces static typing to JavaScript. Gradual typing improves the developer's ability to verify program behavior, contributing to robust, secure and debuggable programs. In practice, however, users only sparsely annotate types directly. At the same time, conventional type inference faces performance-related challenges as program size grows. Statistical techniques based on machine learning offer faster inference, but although recent approaches demonstrate overall improved accuracy, they still perform significantly worse on user-defined types than on the most common built-in types. Limiting their real-world usefulness even more, they rarely integrate with user-facing applications. We propose CodeTIDAL5, a Transformer-based model trained to reliably predict type annotations. For effective result retrieval and re-integration, we extract usage slices from a program's code property graph. Comparing our approach against recent neural type inference systems, our model outperforms the current state-of-the-art by 7.85% on the ManyTypes4TypeScript benchmark, achieving 71.27% accuracy overall. Furthermore, we present JoernTI, an integration of our approach into Joern, an open source static analysis tool, and demonstrate that the analysis benefits from the additional type information. As our model allows for fast inference times even on commodity CPUs, making our system available through Joern leads to high accessibility and facilitates security research.

  • 6 authors
·
Oct 1, 2023 1

DocCGen: Document-based Controlled Code Generation

Recent developments show that Large Language Models (LLMs) produce state-of-the-art performance on natural language (NL) to code generation for resource-rich general-purpose languages like C++, Java, and Python. However, their practical usage for structured domain-specific languages (DSLs) such as YAML, JSON is limited due to domain-specific schema, grammar, and customizations generally unseen by LLMs during pre-training. Efforts have been made to mitigate this challenge via in-context learning through relevant examples or by fine-tuning. However, it suffers from problems, such as limited DSL samples and prompt sensitivity but enterprises maintain good documentation of the DSLs. Therefore, we propose DocCGen, a framework that can leverage such rich knowledge by breaking the NL-to-Code generation task for structured code languages into a two-step process. First, it detects the correct libraries using the library documentation that best matches the NL query. Then, it utilizes schema rules extracted from the documentation of these libraries to constrain the decoding. We evaluate our framework for two complex structured languages, Ansible YAML and Bash command, consisting of two settings: Out-of-domain (OOD) and In-domain (ID). Our extensive experiments show that DocCGen consistently improves different-sized language models across all six evaluation metrics, reducing syntactic and semantic errors in structured code. We plan to open-source the datasets and code to motivate research in constrained code generation.

  • 6 authors
·
Jun 17, 2024

A Survey on Self-Supervised Graph Foundation Models: Knowledge-Based Perspective

Graph self-supervised learning (SSL) is now a go-to method for pre-training graph foundation models (GFMs). There is a wide variety of knowledge patterns embedded in the graph data, such as node properties and clusters, which are crucial to learning generalized representations for GFMs. However, existing surveys of GFMs have several shortcomings: they lack comprehensiveness regarding the most recent progress, have unclear categorization of self-supervised methods, and take a limited architecture-based perspective that is restricted to only certain types of graph models. As the ultimate goal of GFMs is to learn generalized graph knowledge, we provide a comprehensive survey of self-supervised GFMs from a novel knowledge-based perspective. We propose a knowledge-based taxonomy, which categorizes self-supervised graph models by the specific graph knowledge utilized. Our taxonomy consists of microscopic (nodes, links, etc.), mesoscopic (context, clusters, etc.), and macroscopic knowledge (global structure, manifolds, etc.). It covers a total of 9 knowledge categories and more than 25 pretext tasks for pre-training GFMs, as well as various downstream task generalization strategies. Such a knowledge-based taxonomy allows us to re-examine graph models based on new architectures more clearly, such as graph language models, as well as provide more in-depth insights for constructing GFMs.

  • 6 authors
·
May 5, 2025

RTL++: Graph-enhanced LLM for RTL Code Generation

As hardware design complexity escalates, there is an urgent need for advanced automation in electronic design automation (EDA). Traditional register transfer level (RTL) design methods are manual, time-consuming, and prone to errors. While commercial (instruction-tuned) large language models (LLMs) shows promising performance for automation, they pose security and privacy concerns. Open-source models offer alternatives; however, they frequently fall short in quality/correctness, largely due to limited, high-quality RTL code data essential for effective training and generalization. This paper proposes RTL++, a first-of-its-kind LLM-assisted method for RTL code generation that utilizes graph representations of code structures to enhance the quality of generated code. By encoding RTL code into a textualized control flowgraphs (CFG) and data flow graphs (DFG), RTL++ captures the inherent hierarchy, dependencies, and relationships within the code. This structured graph-based approach enhances the context available to LLMs, enabling them to better understand and generate instructions. By focusing on data generation through graph representations, RTL++ addresses the limitations of previous approaches that rely solely on code and suffer from lack of diversity. Experimental results demonstrate that RTL++ outperforms state-of-the-art models fine-tuned for RTL generation, as evaluated using the VerilogEval benchmark's Pass@1/5/10 metric, as well as the RTLLM1.1 model, which highlight the effectiveness of graph-enhanced context in advancing the capabilities of LLM-assisted RTL code generation.

  • 3 authors
·
May 10, 2025

A Comparative Study of DSL Code Generation: Fine-Tuning vs. Optimized Retrieval Augmentation

Natural Language to Code Generation has made significant progress in recent years with the advent of Large Language Models(LLMs). While generation for general-purpose languages like C, C++, and Python has improved significantly, LLMs struggle with custom function names in Domain Specific Languages or DSLs. This leads to higher hallucination rates and syntax errors, specially for DSLs having a high number of custom function names. Additionally, constant updates to function names add to the challenge as LLMs need to stay up-to-date. In this paper, we present optimizations for using Retrieval Augmented Generation (or RAG) with LLMs for DSL generation along with an ablation study comparing these strategies. We generated a train as well as test dataset with a DSL to represent automation tasks across roughly 700 APIs in public domain. We used the training dataset to fine-tune a Codex model for this DSL. Our results showed that the fine-tuned model scored the best on code similarity metric. With our RAG optimizations, we achieved parity for similarity metric. The compilation rate, however, showed that both the models still got the syntax wrong many times, with RAG-based method being 2 pts better. Conversely, hallucination rate for RAG model lagged by 1 pt for API names and by 2 pts for API parameter keys. We conclude that an optimized RAG model can match the quality of fine-tuned models and offer advantages for new, unseen APIs.

  • 2 authors
·
Jul 2, 2024

Empirical Research on Utilizing LLM-based Agents for Automated Bug Fixing via LangGraph

This paper presents a novel framework for automated code generation and debugging, designed to improve accuracy, efficiency, and scalability in software development. The proposed system integrates three core components LangGraph, GLM4 Flash, and ChromaDB within a four step iterative workflow to deliver robust performance and seamless functionality. LangGraph serves as a graph-based library for orchestrating tasks, providing precise control and execution while maintaining a unified state object for dynamic updates and consistency. It supports multi-agent, hierarchical, and sequential processes, making it highly adaptable to complex software engineering workflows. GLM4 Flash, a large language model, leverages its advanced capabilities in natural language understanding, contextual reasoning, and multilingual support to generate accurate code snippets based on user prompts. ChromaDB acts as a vector database for semantic search and contextual memory storage, enabling the identification of patterns and the generation of context-aware bug fixes based on historical data. The system operates through a structured four-step process: (1) Code Generation, which translates natural language descriptions into executable code; (2) Code Execution, which validates the code by identifying runtime errors and inconsistencies; (3) Code Repair, which iteratively refines buggy code using ChromaDB's memory capabilities and LangGraph's state tracking; and (4) Code Update, which ensures the code meets functional and performance requirements through iterative modifications.

  • 2 authors
·
Jan 29, 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

GraphRouter: A Graph-based Router for LLM Selections

The rapidly growing number and variety of Large Language Models (LLMs) present significant challenges in efficiently selecting the appropriate LLM for a given query, especially considering the trade-offs between performance and computational cost. Current LLM selection methods often struggle to generalize across new LLMs and different tasks because of their limited ability to leverage contextual interactions among tasks, queries, and LLMs, as well as their dependence on a transductive learning framework. To address these shortcomings, we introduce a novel inductive graph framework, named as GraphRouter, which fully utilizes the contextual information among tasks, queries, and LLMs to enhance the LLM selection process. GraphRouter constructs a heterogeneous graph comprising task, query, and LLM nodes, with interactions represented as edges, which efficiently captures the contextual information between the query's requirements and the LLM's capabilities. Through an innovative edge prediction mechanism, GraphRouter is able to predict attributes (the effect and cost of LLM response) of potential edges, allowing for optimized recommendations that adapt to both existing and newly introduced LLMs without requiring retraining. Comprehensive experiments across three distinct effect-cost weight scenarios have shown that GraphRouter substantially surpasses existing routers, delivering a minimum performance improvement of 12.3%. In addition, it achieves enhanced generalization across new LLMs settings and supports diverse tasks with at least a 9.5% boost in effect and a significant reduction in computational demands. This work endeavors to apply a graph-based approach for the contextual and adaptive selection of LLMs, offering insights for real-world applications. Our codes for GraphRouter is released at https://github.com/ulab-uiuc/GraphRouter.

  • 3 authors
·
Oct 4, 2024

Turn: A Language for Agentic Computation

We present Turn, a compiled, actor-based programming language -- statically typed for schema inference, dynamically typed at the value level -- for agentic software: programs that reason and act autonomously by delegating inference to large language models (LLMs). Existing approaches augment general-purpose languages with frameworks, encoding critical invariants (bounded context, typed inference output, credential isolation, durable state) as application-level conventions rather than language guarantees. Turn introduces five language-level constructs that address this gap. Cognitive Type Safety makes LLM inference a typed primitive: the compiler generates a JSON Schema from a struct definition and the VM validates model output before binding. The confidence operator enables deterministic control flow gated on model certainty. Turn's actor-based process model, derived from Erlang, gives each agent an isolated context window, persistent memory, and mailbox. A capability-based identity system returns opaque, unforgeable handles from the VM host, ensuring raw credentials never enter agent memory. Finally, compile-time schema absorption (use schema::<protocol>) synthesizes typed API bindings from external specifications at compile time; the openapi adapter is shipped with graphql, fhir, and mcp in active development. We describe the language design, type rules, schema semantics, and a Rust-based bytecode VM, and evaluate Turn against representative agentic workloads. Turn is open source at https://github.com/ekizito96/Turn.

  • 1 authors
·
Mar 7

Towards Data-centric Machine Learning on Directed Graphs: a Survey

In recent years, Graph Neural Networks (GNNs) have made significant advances in processing structured data. However, most of them primarily adopted a model-centric approach, which simplifies graphs by converting them into undirected formats and emphasizes model designs. This approach is inherently limited in real-world applications due to the unavoidable information loss in simple undirected graphs and the model optimization challenges that arise when exceeding the upper bounds of this sub-optimal data representational capacity. As a result, there has been a shift toward data-centric methods that prioritize improving graph quality and representation. Specifically, various types of graphs can be derived from naturally structured data, including heterogeneous graphs, hypergraphs, and directed graphs. Among these, directed graphs offer distinct advantages in topological systems by modeling causal relationships, and directed GNNs have been extensively studied in recent years. However, a comprehensive survey of this emerging topic is still lacking. Therefore, we aim to provide a comprehensive review of directed graph learning, with a particular focus on a data-centric perspective. Specifically, we first introduce a novel taxonomy for existing studies. Subsequently, we re-examine these methods from the data-centric perspective, with an emphasis on understanding and improving data representation. It demonstrates that a deep understanding of directed graphs and their quality plays a crucial role in model performance. Additionally, we explore the diverse applications of directed GNNs across 10+ domains, highlighting their broad applicability. Finally, we identify key opportunities and challenges within the field, offering insights that can guide future research and development in directed graph learning.

  • 6 authors
·
Nov 28, 2024

Heterogeneous Directed Hypergraph Neural Network over abstract syntax tree (AST) for Code Classification

Code classification is a difficult issue in program understanding and automatic coding. Due to the elusive syntax and complicated semantics in programs, most existing studies use techniques based on abstract syntax tree (AST) and graph neural network (GNN) to create code representations for code classification. These techniques utilize the structure and semantic information of the code, but they only take into account pairwise associations and neglect the high-order correlations that already exist between nodes in the AST, which may result in the loss of code structural information. On the other hand, while a general hypergraph can encode high-order data correlations, it is homogeneous and undirected which will result in a lack of semantic and structural information such as node types, edge types, and directions between child nodes and parent nodes when modeling AST. In this study, we propose to represent AST as a heterogeneous directed hypergraph (HDHG) and process the graph by heterogeneous directed hypergraph neural network (HDHGN) for code classification. Our method improves code understanding and can represent high-order data correlations beyond paired interactions. We assess heterogeneous directed hypergraph neural network (HDHGN) on public datasets of Python and Java programs. Our method outperforms previous AST-based and GNN-based methods, which demonstrates the capability of our model.

  • 3 authors
·
May 7, 2023

deGraphCS: Embedding Variable-based Flow Graph for Neural Code Search

With the rapid increase in the amount of public code repositories, developers maintain a great desire to retrieve precise code snippets by using natural language. Despite existing deep learning based approaches(e.g., DeepCS and MMAN) have provided the end-to-end solutions (i.e., accepts natural language as queries and shows related code fragments retrieved directly from code corpus), the accuracy of code search in the large-scale repositories is still limited by the code representation (e.g., AST) and modeling (e.g., directly fusing the features in the attention stage). In this paper, we propose a novel learnable deep Graph for Code Search (calleddeGraphCS), to transfer source code into variable-based flow graphs based on the intermediate representation technique, which can model code semantics more precisely compared to process the code as text directly or use the syntactic tree representation. Furthermore, we propose a well-designed graph optimization mechanism to refine the code representation, and apply an improved gated graph neural network to model variable-based flow graphs. To evaluate the effectiveness of deGraphCS, we collect a large-scale dataset from GitHub containing 41,152 code snippets written in C language, and reproduce several typical deep code search methods for comparison. Besides, we design a qualitative user study to verify the practical value of our approach. The experimental results have shown that deGraphCS can achieve state-of-the-art performances, and accurately retrieve code snippets satisfying the needs of the users.

  • 9 authors
·
Mar 24, 2021

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

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

  • 17 authors
·
Oct 8, 2024

HDLxGraph: Bridging Large Language Models and HDL Repositories via HDL Graph Databases

Large Language Models (LLMs) have demonstrated their potential in hardware design tasks, such as Hardware Description Language (HDL) generation and debugging. Yet, their performance in real-world, repository-level HDL projects with thousands or even tens of thousands of code lines is hindered. To this end, we propose HDLxGraph, a novel framework that integrates Graph Retrieval Augmented Generation (Graph RAG) with LLMs, introducing HDL-specific graph representations by incorporating Abstract Syntax Trees (ASTs) and Data Flow Graphs (DFGs) to capture both code graph view and hardware graph view. HDLxGraph utilizes a dual-retrieval mechanism that not only mitigates the limited recall issues inherent in similarity-based semantic retrieval by incorporating structural information, but also enhances its extensibility to various real-world tasks by a task-specific retrieval finetuning. Additionally, to address the lack of comprehensive HDL search benchmarks, we introduce HDLSearch, a multi-granularity evaluation dataset derived from real-world repository-level projects. Experimental results demonstrate that HDLxGraph significantly improves average search accuracy, debugging efficiency and completion quality by 12.04%, 12.22% and 5.04% compared to similarity-based RAG, respectively. The code of HDLxGraph and collected HDLSearch benchmark are available at https://github.com/Nick-Zheng-Q/HDLxGraph.

  • 8 authors
·
May 21, 2025

A Complete Expressiveness Hierarchy for Subgraph GNNs via Subgraph Weisfeiler-Lehman Tests

Recently, subgraph GNNs have emerged as an important direction for developing expressive graph neural networks (GNNs). While numerous architectures have been proposed, so far there is still a limited understanding of how various design paradigms differ in terms of expressive power, nor is it clear what design principle achieves maximal expressiveness with minimal architectural complexity. To address these fundamental questions, this paper conducts a systematic study of general node-based subgraph GNNs through the lens of Subgraph Weisfeiler-Lehman Tests (SWL). Our central result is to build a complete hierarchy of SWL with strictly growing expressivity. Concretely, we prove that any node-based subgraph GNN falls into one of the six SWL equivalence classes, among which SSWL achieves the maximal expressive power. We also study how these equivalence classes differ in terms of their practical expressiveness such as encoding graph distance and biconnectivity. Furthermore, we give a tight expressivity upper bound of all SWL algorithms by establishing a close relation with localized versions of WL and Folklore WL (FWL) tests. Our results provide insights into the power of existing subgraph GNNs, guide the design of new architectures, and point out their limitations by revealing an inherent gap with the 2-FWL test. Finally, experiments demonstrate that SSWL-inspired subgraph GNNs can significantly outperform prior architectures on multiple benchmarks despite great simplicity.

  • 5 authors
·
Feb 14, 2023

Statically Contextualizing Large Language Models with Typed Holes

Large language models (LLMs) have reshaped the landscape of program synthesis. However, contemporary LLM-based code completion systems often hallucinate broken code because they lack appropriate context, particularly when working with definitions not in the training data nor near the cursor. This paper demonstrates that tight integration with the type and binding structure of a language, as exposed by its language server, can address this contextualization problem in a token-efficient manner. In short, we contend that AIs need IDEs, too! In particular, we integrate LLM code generation into the Hazel live program sketching environment. The Hazel Language Server identifies the type and typing context of the hole being filled, even in the presence of errors, ensuring that a meaningful program sketch is always available. This allows prompting with codebase-wide contextual information not lexically local to the cursor, nor necessarily in the same file, but that is likely to be semantically local to the developer's goal. Completions synthesized by the LLM are then iteratively refined via further dialog with the language server. To evaluate these techniques, we introduce MVUBench, a dataset of model-view-update (MVU) web applications. These applications serve as challenge problems due to their reliance on application-specific data structures. We find that contextualization with type definitions is particularly impactful. After introducing our ideas in the context of Hazel we duplicate our techniques and port MVUBench to TypeScript in order to validate the applicability of these methods to higher-resource languages. Finally, we outline ChatLSP, a conservative extension to the Language Server Protocol (LSP) that language servers can implement to expose capabilities that AI code completion systems of various designs can use to incorporate static context when generating prompts for an LLM.

  • 4 authors
·
Sep 1, 2024 2

Reliable Graph-RAG for Codebases: AST-Derived Graphs vs LLM-Extracted Knowledge Graphs

Retrieval-Augmented Generation for software engineering often relies on vector similarity search, which captures topical similarity but can fail on multi-hop architectural reasoning such as controller to service to repository chains, interface-driven wiring, and inheritance. This paper benchmarks three retrieval pipelines on Java codebases (Shopizer, with additional runs on ThingsBoard and OpenMRS Core): (A) vector-only No-Graph RAG, (B) an LLM-generated knowledge graph RAG (LLM-KB), and (C) a deterministic AST-derived knowledge graph RAG (DKB) built with Tree-sitter and bidirectional traversal. Using 15 architecture and code-tracing queries per repository, we measure indexing time, query latency, corpus coverage, cost, and answer correctness. DKB builds its graph in seconds, while LLM-KB requires much longer graph generation. LLM-KB also shows indexing incompleteness: on Shopizer, 377 files are skipped or missed, reducing embedded chunk coverage and graph size compared to DKB. End-to-end cost is modest for DKB relative to the vector-only baseline but much higher for LLM-KB, especially as repository scale increases. Query latency is similar for No-Graph and DKB, while LLM-KB is slower and more variable. On the Shopizer question suite, DKB achieves the highest correctness, LLM-KB is close behind, and the vector-only baseline performs worst on upstream architectural queries and has the highest hallucination risk. Overall, deterministic AST-derived graphs provide more reliable coverage and multi-hop grounding than LLM-extracted graphs at substantially lower indexing cost.

  • 1 authors
·
Jan 13

Retrieval-Augmented Fine-Tuning With Preference Optimization For Visual Program Generation

Visual programming languages (VPLs) allow users to create programs through graphical interfaces, which results in easier accessibility and their widespread usage in various domains. To further enhance this accessibility, recent research has focused on generating VPL code from user instructions using large language models (LLMs). Specifically, by employing prompting-based methods, these studies have shown promising results. Nevertheless, such approaches can be less effective for industrial VPLs such as Ladder Diagram (LD). LD is a pivotal language used in industrial automation processes and involves extensive domain-specific configurations, which are difficult to capture in a single prompt. In this work, we demonstrate that training-based methods outperform prompting-based methods for LD generation accuracy, even with smaller backbone models. Building on these findings, we propose a two-stage training strategy to further enhance VPL generation. First, we employ retrieval-augmented fine-tuning to leverage the repetitive use of subroutines commonly seen in industrial VPLs. Second, we apply direct preference optimization (DPO) to further guide the model toward accurate outputs, using systematically generated preference pairs through graph editing operations. Extensive experiments on real-world LD data demonstrate that our approach improves program-level accuracy by over 10% compared to supervised fine-tuning, which highlights its potential to advance industrial automation.

  • 7 authors
·
Feb 23, 2025

Self-supervised Learning on Graphs: Deep Insights and New Direction

The success of deep learning notoriously requires larger amounts of costly annotated data. This has led to the development of self-supervised learning (SSL) that aims to alleviate this limitation by creating domain specific pretext tasks on unlabeled data. Simultaneously, there are increasing interests in generalizing deep learning to the graph domain in the form of graph neural networks (GNNs). GNNs can naturally utilize unlabeled nodes through the simple neighborhood aggregation that is unable to thoroughly make use of unlabeled nodes. Thus, we seek to harness SSL for GNNs to fully exploit the unlabeled data. Different from data instances in the image and text domains, nodes in graphs present unique structure information and they are inherently linked indicating not independent and identically distributed (or i.i.d.). Such complexity is a double-edged sword for SSL on graphs. On the one hand, it determines that it is challenging to adopt solutions from the image and text domains to graphs and dedicated efforts are desired. On the other hand, it provides rich information that enables us to build SSL from a variety of perspectives. Thus, in this paper, we first deepen our understandings on when, why, and which strategies of SSL work with GNNs by empirically studying numerous basic SSL pretext tasks on graphs. Inspired by deep insights from the empirical studies, we propose a new direction SelfTask to build advanced pretext tasks that are able to achieve state-of-the-art performance on various real-world datasets. The specific experimental settings to reproduce our results can be found in https://github.com/ChandlerBang/SelfTask-GNN.

  • 7 authors
·
Jun 17, 2020

A Generalization of Transformer Networks to Graphs

We propose a generalization of transformer neural network architecture for arbitrary graphs. The original transformer was designed for Natural Language Processing (NLP), which operates on fully connected graphs representing all connections between the words in a sequence. Such architecture does not leverage the graph connectivity inductive bias, and can perform poorly when the graph topology is important and has not been encoded into the node features. We introduce a graph transformer with four new properties compared to the standard model. First, the attention mechanism is a function of the neighborhood connectivity for each node in the graph. Second, the positional encoding is represented by the Laplacian eigenvectors, which naturally generalize the sinusoidal positional encodings often used in NLP. Third, the layer normalization is replaced by a batch normalization layer, which provides faster training and better generalization performance. Finally, the architecture is extended to edge feature representation, which can be critical to tasks s.a. chemistry (bond type) or link prediction (entity relationship in knowledge graphs). Numerical experiments on a graph benchmark demonstrate the performance of the proposed graph transformer architecture. This work closes the gap between the original transformer, which was designed for the limited case of line graphs, and graph neural networks, that can work with arbitrary graphs. As our architecture is simple and generic, we believe it can be used as a black box for future applications that wish to consider transformer and graphs.

  • 2 authors
·
Dec 17, 2020

Prometheus: Unified Knowledge Graphs for Issue Resolution in Multilingual Codebases

Language model (LM) agents, such as SWE-agent and OpenHands, have made progress toward automated issue resolution. However, existing approaches are often limited to Python-only issues and rely on pre-constructed containers in SWE-bench with reproduced issues, restricting their applicability to real-world and work for multi-language repositories. We present Prometheus, designed to resolve real-world issues beyond benchmark settings. Prometheus is a multi-agent system that transforms an entire code repository into a unified knowledge graph to guide context retrieval for issue resolution. Prometheus encodes files, abstract syntax trees, and natural language text into a graph of typed nodes and five general edge types to support multiple programming languages. Prometheus uses Neo4j for graph persistence, enabling scalable and structured reasoning over large codebases. Integrated by the DeepSeek-V3 model, Prometheus resolves 28.67% and 13.7% of issues on SWE-bench Lite and SWE-bench Multilingual, respectively, with an average API cost of 0.23 and 0.38 per issue. Prometheus resolves 10 unique issues not addressed by prior work and is the first to demonstrate effectiveness across seven programming languages. Moreover, it shows the ability to resolve real-world GitHub issues in the LangChain and OpenHands repositories. We have open-sourced Prometheus at: https://github.com/Pantheon-temple/Prometheus

  • 7 authors
·
Jul 26, 2025

CodexGraph: Bridging Large Language Models and Code Repositories via Code Graph Databases

Large Language Models (LLMs) excel in stand-alone code tasks like HumanEval and MBPP, but struggle with handling entire code repositories. This challenge has prompted research on enhancing LLM-codebase interaction at a repository scale. Current solutions rely on similarity-based retrieval or manual tools and APIs, each with notable drawbacks. Similarity-based retrieval often has low recall in complex tasks, while manual tools and APIs are typically task-specific and require expert knowledge, reducing their generalizability across diverse code tasks and real-world applications. To mitigate these limitations, we introduce \framework, a system that integrates LLM agents with graph database interfaces extracted from code repositories. By leveraging the structural properties of graph databases and the flexibility of the graph query language, \framework enables the LLM agent to construct and execute queries, allowing for precise, code structure-aware context retrieval and code navigation. We assess \framework using three benchmarks: CrossCodeEval, SWE-bench, and EvoCodeBench. Additionally, we develop five real-world coding applications. With a unified graph database schema, \framework demonstrates competitive performance and potential in both academic and real-world environments, showcasing its versatility and efficacy in software engineering. Our application demo: https://github.com/modelscope/modelscope-agent/tree/master/apps/codexgraph_agent.

  • 8 authors
·
Aug 7, 2024 2

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

Octopus v4: Graph of language models

Language models have been effective in a wide range of applications, yet the most sophisticated models are often proprietary. For example, GPT-4 by OpenAI and various models by Anthropic are expensive and consume substantial energy. In contrast, the open-source community has produced competitive models, like Llama3. Furthermore, niche-specific smaller language models, such as those tailored for legal, medical or financial tasks, have outperformed their proprietary counterparts. This paper introduces a novel approach that employs functional tokens to integrate multiple open-source models, each optimized for particular tasks. Our newly developed Octopus v4 model leverages functional tokens to intelligently direct user queries to the most appropriate vertical model and reformat the query to achieve the best performance. Octopus v4, an evolution of the Octopus v1, v2, and v3 models, excels in selection and parameter understanding and reformatting. Additionally, we explore the use of graph as a versatile data structure that effectively coordinates multiple open-source models by harnessing the capabilities of the Octopus model and functional tokens. Use our open-sourced GitHub (https://www.nexa4ai.com/) to try Octopus v4 models (https://huggingface.co/NexaAIDev/Octopus-v4), and contrite to a larger graph of language models. By activating models less than 10B parameters, we achieved SOTA MMLU score of 74.8 among the same level models.

  • 2 authors
·
Apr 30, 2024 19

ShapeCoder: Discovering Abstractions for Visual Programs from Unstructured Primitives

Programs are an increasingly popular representation for visual data, exposing compact, interpretable structure that supports manipulation. Visual programs are usually written in domain-specific languages (DSLs). Finding "good" programs, that only expose meaningful degrees of freedom, requires access to a DSL with a "good" library of functions, both of which are typically authored by domain experts. We present ShapeCoder, the first system capable of taking a dataset of shapes, represented with unstructured primitives, and jointly discovering (i) useful abstraction functions and (ii) programs that use these abstractions to explain the input shapes. The discovered abstractions capture common patterns (both structural and parametric) across the dataset, so that programs rewritten with these abstractions are more compact, and expose fewer degrees of freedom. ShapeCoder improves upon previous abstraction discovery methods, finding better abstractions, for more complex inputs, under less stringent input assumptions. This is principally made possible by two methodological advancements: (a) a shape to program recognition network that learns to solve sub-problems and (b) the use of e-graphs, augmented with a conditional rewrite scheme, to determine when abstractions with complex parametric expressions can be applied, in a tractable manner. We evaluate ShapeCoder on multiple datasets of 3D shapes, where primitive decompositions are either parsed from manual annotations or produced by an unsupervised cuboid abstraction method. In all domains, ShapeCoder discovers a library of abstractions that capture high-level relationships, remove extraneous degrees of freedom, and achieve better dataset compression compared with alternative approaches. Finally, we investigate how programs rewritten to use discovered abstractions prove useful for downstream tasks.

  • 4 authors
·
May 9, 2023

Graphix-T5: Mixing Pre-Trained Transformers with Graph-Aware Layers for Text-to-SQL Parsing

The task of text-to-SQL parsing, which aims at converting natural language questions into executable SQL queries, has garnered increasing attention in recent years, as it can assist end users in efficiently extracting vital information from databases without the need for technical background. One of the major challenges in text-to-SQL parsing is domain generalization, i.e., how to generalize well to unseen databases. Recently, the pre-trained text-to-text transformer model, namely T5, though not specialized for text-to-SQL parsing, has achieved state-of-the-art performance on standard benchmarks targeting domain generalization. In this work, we explore ways to further augment the pre-trained T5 model with specialized components for text-to-SQL parsing. Such components are expected to introduce structural inductive bias into text-to-SQL parsers thus improving model's capacity on (potentially multi-hop) reasoning, which is critical for generating structure-rich SQLs. To this end, we propose a new architecture GRAPHIX-T5, a mixed model with the standard pre-trained transformer model augmented by some specially-designed graph-aware layers. Extensive experiments and analysis demonstrate the effectiveness of GRAPHIX-T5 across four text-to-SQL benchmarks: SPIDER, SYN, REALISTIC and DK. GRAPHIX-T5 surpass all other T5-based parsers with a significant margin, achieving new state-of-the-art performance. Notably, GRAPHIX-T5-large reach performance superior to the original T5-large by 5.7% on exact match (EM) accuracy and 6.6% on execution accuracy (EX). This even outperforms the T5-3B by 1.2% on EM and 1.5% on EX.

  • 10 authors
·
Jan 18, 2023

StructCoder: Structure-Aware Transformer for Code Generation

There has been a recent surge of interest in automating software engineering tasks using deep learning. This paper addresses the problem of code generation, where the goal is to generate target code given source code in a different language or a natural language description. Most state-of-the-art deep learning models for code generation use training strategies primarily designed for natural language. However, understanding and generating code requires a more rigorous comprehension of the code syntax and semantics. With this motivation, we develop an encoder-decoder Transformer model where both the encoder and decoder are explicitly trained to recognize the syntax and data flow in the source and target codes, respectively. We not only make the encoder structure-aware by leveraging the source code's syntax tree and data flow graph, but we also support the decoder in preserving the syntax and data flow of the target code by introducing two novel auxiliary tasks: AST (Abstract Syntax Tree) paths prediction and data flow prediction. To the best of our knowledge, this is the first work to introduce a structure-aware Transformer decoder that models both syntax and data flow to enhance the quality of generated code. The proposed StructCoder model achieves state-of-the-art performance on code translation and text-to-code generation tasks in the CodeXGLUE benchmark, and improves over baselines of similar size on the APPS code generation benchmark. Our code is publicly available at https://github.com/reddy-lab-code-research/StructCoder/.

  • 3 authors
·
Jun 10, 2022

Score-based Generative Modeling of Graphs via the System of Stochastic Differential Equations

Generating graph-structured data requires learning the underlying distribution of graphs. Yet, this is a challenging problem, and the previous graph generative methods either fail to capture the permutation-invariance property of graphs or cannot sufficiently model the complex dependency between nodes and edges, which is crucial for generating real-world graphs such as molecules. To overcome such limitations, we propose a novel score-based generative model for graphs with a continuous-time framework. Specifically, we propose a new graph diffusion process that models the joint distribution of the nodes and edges through a system of stochastic differential equations (SDEs). Then, we derive novel score matching objectives tailored for the proposed diffusion process to estimate the gradient of the joint log-density with respect to each component, and introduce a new solver for the system of SDEs to efficiently sample from the reverse diffusion process. We validate our graph generation method on diverse datasets, on which it either achieves significantly superior or competitive performance to the baselines. Further analysis shows that our method is able to generate molecules that lie close to the training distribution yet do not violate the chemical valency rule, demonstrating the effectiveness of the system of SDEs in modeling the node-edge relationships. Our code is available at https://github.com/harryjo97/GDSS.

  • 3 authors
·
Feb 5, 2022

Peregrine: A Pattern-Aware Graph Mining System

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

  • 3 authors
·
Apr 5, 2020

Multi-Domain Riemannian Graph Gluing for Building Graph Foundation Models

Multi-domain graph pre-training integrates knowledge from diverse domains to enhance performance in the target domains, which is crucial for building graph foundation models. Despite initial success, existing solutions often fall short of answering a fundamental question: how is knowledge integrated or transferred across domains? This theoretical limitation motivates us to rethink the consistency and transferability between model pre-training and domain adaptation. In this paper, we propose a fresh Riemannian geometry perspective, whose core idea is to merge any graph dataset into a unified, smooth Riemannian manifold, enabling a systematic understanding of knowledge integration and transfer. To achieve this, our key contribution is the theoretical establishment of neural manifold gluing, which first characterizes local geometry using an adaptive orthogonal frame and then "glues" the local pieces together into a coherent whole. Building on this theory, we present the GraphGlue framework, which supports batched pre-training with EMA prototyping and provides a transferability measure based on geometric consistence. Extensive experiments demonstrate its superior performance across diverse graph domains. Moreover, we empirically validated GraphGlue's geometric scaling law, showing that larger quantities of datasets improve model transferability by producing a smoother manifold. Codes are available at https://github.com/RiemannGraph/GraphGlue.

  • 7 authors
·
Feb 28 2

Large Language Models on Graphs: A Comprehensive Survey

Large language models (LLMs), such as ChatGPT and LLaMA, are creating significant advancements in natural language processing, due to their strong text encoding/decoding ability and newly found emergent capability (e.g., reasoning). While LLMs are mainly designed to process pure texts, there are many real-world scenarios where text data are associated with rich structure information in the form of graphs (e.g., academic networks, and e-commerce networks) or scenarios where graph data are paired with rich textual information (e.g., molecules with descriptions). Besides, although LLMs have shown their pure text-based reasoning ability, it is underexplored whether such ability can be generalized to graph scenarios (i.e., graph-based reasoning). In this paper, we provide a systematic review of scenarios and techniques related to large language models on graphs. We first summarize potential scenarios of adopting LLMs on graphs into three categories, namely pure graphs, text-rich graphs, and text-paired graphs. We then discuss detailed techniques for utilizing LLMs on graphs, including LLM as Predictor, LLM as Encoder, and LLM as Aligner, and compare the advantages and disadvantages of different schools of models. Furthermore, we mention the real-world applications of such methods and summarize open-source codes and benchmark datasets. Finally, we conclude with potential future research directions in this fast-growing field. The related source can be found at https://github.com/PeterGriffinJin/Awesome-Language-Model-on-Graphs.

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

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

  • 12 authors
·
Sep 29, 2024

From Static Templates to Dynamic Runtime Graphs: A Survey of Workflow Optimization for LLM Agents

Large language model (LLM)-based systems are becoming increasingly popular for solving tasks by constructing executable workflows that interleave LLM calls, information retrieval, tool use, code execution, memory updates, and verification. This survey reviews recent methods for designing and optimizing such workflows, which we treat as agentic computation graphs (ACGs). We organize the literature based on when workflow structure is determined, where structure refers to which components or agents are present, how they depend on each other, and how information flows between them. This lens distinguishes static methods, which fix a reusable workflow scaffold before deployment, from dynamic methods, which select, generate, or revise the workflow for a particular run before or during execution. We further organize prior work along three dimensions: when structure is determined, what part of the workflow is optimized, and which evaluation signals guide optimization (e.g., task metrics, verifier signals, preferences, or trace-derived feedback). We also distinguish reusable workflow templates, run-specific realized graphs, and execution traces, separating reusable design choices from the structures actually deployed in a given run and from realized runtime behavior. Finally, we outline a structure-aware evaluation perspective that complements downstream task metrics with graph-level properties, execution cost, robustness, and structural variation across inputs. Our goal is to provide a clear vocabulary, a unified framework for positioning new methods, a more comparable view of existing body of literature, and a more reproducible evaluation standard for future work in workflow optimizations for LLM agents.

ibm IBM
·
Mar 23 2

SLUGGER: Lossless Hierarchical Summarization of Massive Graphs

Given a massive graph, how can we exploit its hierarchical structure for concisely but exactly summarizing the graph? By exploiting the structure, can we achieve better compression rates than state-of-the-art graph summarization methods? The explosive proliferation of the Web has accelerated the emergence of large graphs, such as online social networks and hyperlink networks. Consequently, graph compression has become increasingly important to process such large graphs without expensive I/O over the network or to disk. Among a number of approaches, graph summarization, which in essence combines similar nodes into a supernode and describe their connectivity concisely, protrudes with several advantages. However, we note that it fails to exploit pervasive hierarchical structures of real-world graphs as its underlying representation model enforces supernodes to be disjoint. In this work, we propose the hierarchical graph summarization model, which is an expressive graph representation model that includes the previous one proposed by Navlakha et al. as a special case. The new model represents an unweighted graph using positive and negative edges between hierarchical supernodes, each of which can contain others. Then, we propose Slugger, a scalable heuristic for concisely and exactly representing a given graph under our new model. Slugger greedily merges nodes into supernodes while maintaining and exploiting their hierarchy, which is later pruned. Slugger significantly accelerates this process by sampling, approximation, and memoization. Our experiments on 16 real-world graphs show that Slugger is (a) Effective: yielding up to 29.6% more concise summary than state-of-the-art lossless summarization methods, (b) Fast: summarizing a graph with 0.8 billion edges in a few hours, and (c) Scalable: scaling linearly with the number of edges in the input graph.

  • 3 authors
·
Dec 10, 2021

COMEX: A Tool for Generating Customized Source Code Representations

Learning effective representations of source code is critical for any Machine Learning for Software Engineering (ML4SE) system. Inspired by natural language processing, large language models (LLMs) like Codex and CodeGen treat code as generic sequences of text and are trained on huge corpora of code data, achieving state of the art performance on several software engineering (SE) tasks. However, valid source code, unlike natural language, follows a strict structure and pattern governed by the underlying grammar of the programming language. Current LLMs do not exploit this property of the source code as they treat code like a sequence of tokens and overlook key structural and semantic properties of code that can be extracted from code-views like the Control Flow Graph (CFG), Data Flow Graph (DFG), Abstract Syntax Tree (AST), etc. Unfortunately, the process of generating and integrating code-views for every programming language is cumbersome and time consuming. To overcome this barrier, we propose our tool COMEX - a framework that allows researchers and developers to create and combine multiple code-views which can be used by machine learning (ML) models for various SE tasks. Some salient features of our tool are: (i) it works directly on source code (which need not be compilable), (ii) it currently supports Java and C#, (iii) it can analyze both method-level snippets and program-level snippets by using both intra-procedural and inter-procedural analysis, and (iv) it is easily extendable to other languages as it is built on tree-sitter - a widely used incremental parser that supports over 40 languages. We believe this easy-to-use code-view generation and customization tool will give impetus to research in source code representation learning methods and ML4SE. Tool: https://pypi.org/project/comex - GitHub: https://github.com/IBM/tree-sitter-codeviews - Demo: https://youtu.be/GER6U87FVbU

  • 7 authors
·
Jul 10, 2023

ARC: Compiling Hundreds of Requirement Scenarios into A Runnable Web System

Large Language Models (LLMs) have improved programming efficiency, but their performance degrades significantly as requirements scale; when faced with multi-modal documents containing hundreds of scenarios, LLMs often produce incorrect implementations or omit constraints. We propose Agentic Requirement Compilation (ARC), a technique that moves beyond simple code generation to requirement compilation, enabling the creation of runnable web systems directly from multi-modal DSL documents. ARC generates not only source code but also modular designs for UI, API, and database layers, enriched test suites (unit, modular, and integration), and detailed traceability for software maintenance. Our approach employs a bidirectional test-driven agentic loop: a top-down architecture phase decomposes requirements into verifiable interfaces, followed by a bottom-up implementation phase where agents generate code to satisfy those tests. ARC maintains strict traceability across requirements, design, and code to facilitate intelligent asset reuse. We evaluated ARC by generating six runnable web systems from documents spanning 50-200 multi-modal scenarios. Compared to state-of-the-art baselines, ARC-generated systems pass 50.6% more GUI tests on average. A user study with 21 participants showed that novice users can successfully write DSL documents for complex systems, such as a 10K-line ticket-booking system, in an average of 5.6 hours. These results demonstrate that ARC effectively transforms non-trivial requirement specifications into maintainable, runnable software.

  • 8 authors
·
Mar 20

Graph Prompt Learning: A Comprehensive Survey and Beyond

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

  • 6 authors
·
Nov 28, 2023

Are Code Pre-trained Models Powerful to Learn Code Syntax and Semantics?

Analysis of pre-trained code models also has revealed that they can effectively learn program syntax. However, these works are limited in analyzing code syntax and their distance-based approaches are not accurate due to the curse of high dimensionality. Furthermore, the study of the learnt program semantics of these models is rarely discussed. To further understand the code features learnt by these models, in this paper, we target two well-known representative code pre-trained models (i.e., CodeBERT and GraphCodeBERT) and devise a set of probing tasks for the syntax and semantics analysis. Specifically, on one hand, we design two probing tasks (i.e., syntax pair node prediction and token tagging prediction) to manipulate AST for the understanding of learnt program syntax. On the other hand, we design two tasks (i.e., semantic relationship prediction and semantic propagation prediction(inGraph) ) on the constructed control flow graph (CFG), data dependency graph (DDG) and control dependency graph (CDG) for the learnt program semantic analysis. In addition, to understand which kind of program semantics these pre-trained models can comprehend well, we conduct the statistical analysis for attention weights learnt by different heads and layers. Through extensive analysis in terms of program syntax and semantics, we have the following findings: 1) Both CodeBERT and GraphCodeBERT can learn the program syntax well. 2) Both CodeBERT and GraphCodeBERT can learn program semantics to different extents. GraphCodeBERT is superior to CodeBERT in learning program control flow and data dependency information but has a similar capability to CodeBERT in learning control dependency information. 3) Both CodeBERT and GraphCodeBERT can capture program semantics in the final layer of representation, but different attention heads and layers exhibit different roles in learning program semantics.

  • 8 authors
·
Dec 20, 2022

Recipe for a General, Powerful, Scalable Graph Transformer

We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of graph representation learning with a variety of recent publications but they lack a common foundation about what constitutes a good positional or structural encoding, and what differentiates them. In this paper, we summarize the different types of encodings with a clearer definition and categorize them as being local, global or relative. The prior GTs are constrained to small graphs with a few hundred nodes, here we propose the first architecture with a complexity linear in the number of nodes and edges O(N+E) by decoupling the local real-edge aggregation from the fully-connected Transformer. We argue that this decoupling does not negatively affect the expressivity, with our architecture being a universal function approximator on graphs. Our GPS recipe consists of choosing 3 main ingredients: (i) positional/structural encoding, (ii) local message-passing mechanism, and (iii) global attention mechanism. We provide a modular framework GraphGPS that supports multiple types of encodings and that provides efficiency and scalability both in small and large graphs. We test our architecture on 16 benchmarks and show highly competitive results in all of them, show-casing the empirical benefits gained by the modularity and the combination of different strategies.

  • 6 authors
·
May 24, 2022

A Survey on Machine Learning Solutions for Graph Pattern Extraction

A subgraph is constructed by using a subset of vertices and edges of a given graph. There exist many graph properties that are hereditary for subgraphs. Hence, researchers from different communities have paid a great deal of attention in studying numerous subgraph problems, on top of the ordinary graph problems. Many algorithms are proposed in studying subgraph problems, where one common approach is by extracting the patterns and structures of a given graph. Due to the complex structures of certain types of graphs and to improve overall performances of the existing frameworks, machine learning techniques have recently been employed in dealing with various subgraph problems. In this article, we present a comprehensive review on five well known subgraph problems that have been tackled by using machine learning methods. They are subgraph isomorphism (both counting and matching), maximum common subgraph, community detection and community search problems. We provide an outline of each proposed method, and examine its designs and performances. We also explore non-learning-based algorithms for each problem and a brief discussion is given. We then suggest some promising research directions in this area, hoping that relevant subgraph problems can be tackled by using a similar strategy. Since there is a huge growth in employing machine learning techniques in recent years, we believe that this survey will serve as a good reference point to relevant research communities.

  • 6 authors
·
Apr 3, 2022

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

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

  • 6 authors
·
Feb 20

Evaluating the Impact of Source Code Parsers on ML4SE Models

As researchers and practitioners apply Machine Learning to increasingly more software engineering problems, the approaches they use become more sophisticated. A lot of modern approaches utilize internal code structure in the form of an abstract syntax tree (AST) or its extensions: path-based representation, complex graph combining AST with additional edges. Even though the process of extracting ASTs from code can be done with different parsers, the impact of choosing a parser on the final model quality remains unstudied. Moreover, researchers often omit the exact details of extracting particular code representations. In this work, we evaluate two models, namely Code2Seq and TreeLSTM, in the method name prediction task backed by eight different parsers for the Java language. To unify the process of data preparation with different parsers, we develop SuperParser, a multi-language parser-agnostic library based on PathMiner. SuperParser facilitates the end-to-end creation of datasets suitable for training and evaluation of ML models that work with structural information from source code. Our results demonstrate that trees built by different parsers vary in their structure and content. We then analyze how this diversity affects the models' quality and show that the quality gap between the most and least suitable parsers for both models turns out to be significant. Finally, we discuss other features of the parsers that researchers and practitioners should take into account when selecting a parser along with the impact on the models' quality. The code of SuperParser is publicly available at https://doi.org/10.5281/zenodo.6366591. We also publish Java-norm, the dataset we use to evaluate the models: https://doi.org/10.5281/zenodo.6366599.

  • 4 authors
·
Jun 17, 2022

Temporal Graph Analysis with TGX

Real-world networks, with their evolving relations, are best captured as temporal graphs. However, existing software libraries are largely designed for static graphs where the dynamic nature of temporal graphs is ignored. Bridging this gap, we introduce TGX, a Python package specially designed for analysis of temporal networks that encompasses an automated pipeline for data loading, data processing, and analysis of evolving graphs. TGX provides access to eleven built-in datasets and eight external Temporal Graph Benchmark (TGB) datasets as well as any novel datasets in the .csv format. Beyond data loading, TGX facilitates data processing functionalities such as discretization of temporal graphs and node subsampling to accelerate working with larger datasets. For comprehensive investigation, TGX offers network analysis by providing a diverse set of measures, including average node degree and the evolving number of nodes and edges per timestamp. Additionally, the package consolidates meaningful visualization plots indicating the evolution of temporal patterns, such as Temporal Edge Appearance (TEA) and Temporal Edge Trafficc (TET) plots. The TGX package is a robust tool for examining the features of temporal graphs and can be used in various areas like studying social networks, citation networks, and tracking user interactions. We plan to continuously support and update TGX based on community feedback. TGX is publicly available on: https://github.com/ComplexData-MILA/TGX.

  • 5 authors
·
Feb 5, 2024

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

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

  • 10 authors
·
May 13, 2025

Real-Time Community Detection in Large Social Networks on a Laptop

For a broad range of research, governmental and commercial applications it is important to understand the allegiances, communities and structure of key players in society. One promising direction towards extracting this information is to exploit the rich relational data in digital social networks (the social graph). As social media data sets are very large, most approaches make use of distributed computing systems for this purpose. Distributing graph processing requires solving many difficult engineering problems, which has lead some researchers to look at single-machine solutions that are faster and easier to maintain. In this article, we present a single-machine real-time system for large-scale graph processing that allows analysts to interactively explore graph structures. The key idea is that the aggregate actions of large numbers of users can be compressed into a data structure that encapsulates user similarities while being robust to noise and queryable in real-time. We achieve single machine real-time performance by compressing the neighbourhood of each vertex using minhash signatures and facilitate rapid queries through Locality Sensitive Hashing. These techniques reduce query times from hours using industrial desktop machines operating on the full graph to milliseconds on standard laptops. Our method allows exploration of strongly associated regions (i.e. communities) of large graphs in real-time on a laptop. It has been deployed in software that is actively used by social network analysts and offers another channel for media owners to monetise their data, helping them to continue to provide free services that are valued by billions of people globally.

  • 4 authors
·
Jan 15, 2016

Anka: A Domain-Specific Language for Reliable LLM Code Generation

Large Language Models (LLMs) have demonstrated remarkable capabilities in code generation, yet they exhibit systematic errors on complex, multi-step programming tasks. We hypothesize that these errors stem from the flexibility of general-purpose languages, which permits multiple valid approaches and requires implicit state management. To test this hypothesis, we introduce Anka, a domain-specific language (DSL) for data transformation pipelines designed with explicit, constrained syntax that reduces ambiguity in code generation. Despite having zero prior training exposure to Anka, Claude 3.5 Haiku achieves 99.9% parse success and 95.8% overall task accuracy across 100 benchmark problems. Critically, Anka demonstrates a 40 percentage point accuracy advantage over Python on multi-step pipeline tasks (100% vs. 60%), where Python's flexible syntax leads to frequent errors in operation sequencing and variable management. Cross-model validation with GPT-4o-mini confirms this advantage (+26.7 percentage points on multi-step tasks). Our results demonstrate that: (1) LLMs can learn novel DSLs entirely from in-context prompts, achieving near-native accuracy; (2) constrained syntax significantly reduces errors on complex tasks; and (3) domain-specific languages purposefully designed for LLM generation can outperform general-purpose languages on which the LLM has extensive training. We release the complete language implementation, benchmark suite, and evaluation framework to facilitate further research.

  • 1 authors
·
Dec 29, 2025

Explanation Graph Generation via Pre-trained Language Models: An Empirical Study with Contrastive Learning

Pre-trained sequence-to-sequence language models have led to widespread success in many natural language generation tasks. However, there has been relatively less work on analyzing their ability to generate structured outputs such as graphs. Unlike natural language, graphs have distinct structural and semantic properties in the context of a downstream NLP task, e.g., generating a graph that is connected and acyclic can be attributed to its structural constraints, while the semantics of a graph can refer to how meaningfully an edge represents the relation between two node concepts. In this work, we study pre-trained language models that generate explanation graphs in an end-to-end manner and analyze their ability to learn the structural constraints and semantics of such graphs. We first show that with limited supervision, pre-trained language models often generate graphs that either violate these constraints or are semantically incoherent. Since curating large amount of human-annotated graphs is expensive and tedious, we propose simple yet effective ways of graph perturbations via node and edge edit operations that lead to structurally and semantically positive and negative graphs. Next, we leverage these graphs in different contrastive learning models with Max-Margin and InfoNCE losses. Our methods lead to significant improvements in both structural and semantic accuracy of explanation graphs and also generalize to other similar graph generation tasks. Lastly, we show that human errors are the best negatives for contrastive learning and also that automatically generating more such human-like negative graphs can lead to further improvements. Our code and models are publicly available at https://github.com/swarnaHub/ExplagraphGen

  • 3 authors
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Apr 10, 2022