arXiv subjects

Jiliang Tang

Publications and source records attributed to Jiliang Tang.

At least 55 records · Page 3Linked to original sources

arXiv2025

AutoG: Towards automatic graph construction from tabular data

Recent years have witnessed significant advancements in graph machine learning (GML), with its applications spanning numerous domains. However, the focus of GML has predominantly been on developing powerful models, often overlooking a crucial initial step: constructing suitable graphs from common data formats, such as tabular data. This construction process is fundamental to applying graph-based models, yet it remains largely understudied and lacks formalization. Our research aims to address this gap by formalizing the graph construction problem and proposing an effective solution. We identify two critical challenges to achieve this goal: 1. The absence of dedicated datasets to formalize and evaluate the effectiveness of graph construction methods, and 2. Existing automatic construction methods can only be applied to some specific cases, while tedious human engineering is required to generate high-quality graphs. To tackle these challenges, we present a two-fold contribution. First, we introduce a set of datasets to formalize and evaluate graph construction methods. Second, we propose an LLM-based solution, AutoG, automatically generating high-quality graph schemas without human intervention. The experimental results demonstrate that the quality of constructed graphs is critical to downstream task performance, and AutoG can generate high-quality graphs that rival those produced by human experts. Our code can be accessible from https://github.com/amazon-science/Automatic-Table-to-Graph-Generation.

cs.LG↗

arXiv2025

From Sequence to Structure: Uncovering Substructure Reasoning in Transformers

Recent studies suggest that large language models (LLMs) possess the capability to solve graph reasoning tasks. Notably, even when graph structures are embedded within textual descriptions, LLMs can still effectively answer related questions. This raises a fundamental question: How can a decoder-only Transformer architecture understand underlying graph structures? To address this, we start with the substructure extraction task, interpreting the inner mechanisms inside the transformers and analyzing the impact of the input queries. Specifically, through both empirical results and theoretical analysis, we present Induced Substructure Filtration (ISF), a perspective that captures the substructure identification in the multi-layer transformers. We further validate the ISF process in LLMs, revealing consistent internal dynamics across layers. Building on these insights, we explore the broader capabilities of Transformers in handling diverse graph types. Specifically, we introduce the concept of thinking in substructures to efficiently extract complex composite patterns, and demonstrate that decoder-only Transformers can successfully extract substructures from attributed graphs, such as molecular graphs. Together, our findings offer a new insight on how sequence-based Transformers perform the substructure extraction task over graph data.

cs.CL↗

arXiv2025

TRAJECT-Bench:A Trajectory-Aware Benchmark for Evaluating Agentic Tool Use

Large language model (LLM)-based agents increasingly rely on tool use to complete real-world tasks. While existing works evaluate the LLMs' tool use capability, they largely focus on the final answers yet overlook the detailed tool usage trajectory, i.e., whether tools are selected, parameterized, and ordered correctly. We introduce TRAJECT-Bench, a trajectory-aware benchmark to comprehensively evaluate LLMs' tool use capability through diverse tasks with fine-grained evaluation metrics. TRAJECT-Bench pairs high-fidelity, executable tools across practical domains with tasks grounded in production-style APIs, and synthesizes trajectories that vary in breadth (parallel calls) and depth (interdependent chains). Besides final accuracy, TRAJECT-Bench also reports trajectory-level diagnostics, including tool selection and argument correctness, and dependency/order satisfaction. Analyses reveal failure modes such as similar tool confusion and parameter-blind selection, and scaling behavior with tool diversity and trajectory length where the bottleneck of transiting from short to mid-length trajectories is revealed, offering actionable guidance for LLMs' tool use.

cs.AI↗

arXiv2025

How Memory Management Impacts LLM Agents: An Empirical Study of Experience-Following Behavior

Memory is a critical component in large language model (LLM)-based agents, enabling them to store and retrieve past executions to improve task performance over time. In this paper, we conduct an empirical study on how memory management choices impact the LLM agents' behavior, especially their long-term performance. Specifically, we focus on two fundamental memory management operations that are widely used by many agent frameworks-memory addition and deletion-to systematically study their impact on the agent behavior. Through our quantitative analysis, we find that LLM agents display an experience-following property: high similarity between a task input and the input in a retrieved memory record often results in highly similar agent outputs. Our analysis further reveals two significant challenges associated with this property: error propagation, where inaccuracies in past experiences compound and degrade future performance, and misaligned experience replay, where some seemingly correct executions can provide limited or even misleading value as experiences. Through controlled experiments, we demonstrate the importance of regulating experience quality within the memory bank and show that future task evaluations can serve as free quality labels for stored memory. Our findings offer insights into the behavioral dynamics of LLM agent memory systems and provide practical guidance for designing memory components that support robust, long-term agent performance.

cs.AI↗

arXiv2025

Cross-Domain Graph Data Scaling: A Showcase with Diffusion Models

Models for natural language and images benefit from data scaling behavior: the more data fed into the model, the better they perform. This 'better with more' phenomenon enables the effectiveness of large-scale pre-training on vast amounts of data. However, current graph pre-training methods struggle to scale up data due to heterogeneity across graphs. To achieve effective data scaling, we aim to develop a general model that is able to capture diverse data patterns of graphs and can be utilized to adaptively help the downstream tasks. To this end, we propose UniAug, a universal graph structure augmentor built on a diffusion model. We first pre-train a discrete diffusion model on thousands of graphs across domains to learn the graph structural patterns. In the downstream phase, we provide adaptive enhancement by conducting graph structure augmentation with the help of the pre-trained diffusion model via guided generation. By leveraging the pre-trained diffusion model for structure augmentation, we consistently achieve performance improvements across various downstream tasks in a plug-and-play manner. To the best of our knowledge, this study represents the first demonstration of a data-scaling graph structure augmentor on graphs across domains.

cs.LG↗

arXiv2025

Adaptive Test-Time Reasoning via Reward-Guided Dual-Phase Search

Large Language Models (LLMs) have achieved significant advances in reasoning tasks. A key approach is tree-based search with verifiers, which expand candidate reasoning paths and use reward models to guide pruning and selection. Although effective in improving accuracy, these methods are not optimal in terms of efficiency: they perform simple decomposition on the reasoning process, but ignore the planning-execution nature of tasks such as math reasoning or code generation. This results in inefficient exploration of reasoning process. To address this, we propose a dual-phase test-time scaling framework that explicitly separates reasoning into planning and execution, and performs search over the two phases individually. Specifically, we decompose reasoning trajectories and develop reward models for each phase, enabling the search to explore and prune plans and executions separately. We further introduce a dynamic budget allocation mechanism that adaptively redistributes sampling effort based on reward feedback, allowing early stopping on confident steps and reallocation of computation to more challenging parts of the reasoning process. Experiments on both mathematical reasoning and code generation benchmarks demonstrate that our approach consistently improves accuracy while reducing redundant computation.

cs.AI↗

arXiv2025

Beyond Static Retrieval: Opportunities and Pitfalls of Iterative Retrieval in GraphRAG

Retrieval-augmented generation (RAG) is a powerful paradigm for improving large language models (LLMs) on knowledge-intensive question answering. Graph-based RAG (GraphRAG) leverages entity-relation graphs to support multi-hop reasoning, but most systems still rely on static retrieval. When crucial evidence, especially bridge documents that connect disjoint entities, is absent, reasoning collapses and hallucinations persist. Iterative retrieval, which performs multiple rounds of evidence selection, has emerged as a promising alternative, yet its role within GraphRAG remains poorly understood. We present the first systematic study of iterative retrieval in GraphRAG, analyzing how different strategies interact with graph-based backbones and under what conditions they succeed or fail. Our findings reveal clear opportunities: iteration improves complex multi-hop questions, helps promote bridge documents into leading ranks, and different strategies offer complementary strengths. At the same time, pitfalls remain: naive expansion often introduces noise that reduces precision, gains are limited on single-hop or simple comparison questions, and several bridge evidences still be buried too deep to be effectively used. Together, these results highlight a central bottleneck, namely that GraphRAG's effectiveness depends not only on recall but also on whether bridge evidence is consistently promoted into leading positions where it can support reasoning chains. To address this challenge, we propose Bridge-Guided Dual-Thought-based Retrieval (BDTR), a simple yet effective framework that generates complementary thoughts and leverages reasoning chains to recalibrate rankings and bring bridge evidence into leading positions. BDTR achieves consistent improvements across diverse GraphRAG settings and provides guidance for the design of future GraphRAG systems.

cs.AI↗

arXiv2025

Uncovering Graph Reasoning in Decoder-only Transformers with Circuit Tracing

Transformer-based LLMs demonstrate strong performance on graph reasoning tasks, yet their internal mechanisms remain underexplored. To uncover these reasoning process mechanisms in a fundamental and unified view, we set the basic decoder-only transformers and explain them using the circuit-tracer framework. Through this lens, we visualize reasoning traces and identify two core mechanisms in graph reasoning: token merging and structural memorization, which underlie both path reasoning and substructure extraction tasks. We further quantify these behaviors and analyze how they are influenced by graph density and model size. Our study provides a unified interpretability framework for understanding structural reasoning in decoder-only Transformers.

cs.LG↗

arXiv2025

Six-CD: Benchmarking Concept Removals for Benign Text-to-image Diffusion Models

Text-to-image (T2I) diffusion models have shown exceptional capabilities in generating images that closely correspond to textual prompts. However, the advancement of T2I diffusion models presents significant risks, as the models could be exploited for malicious purposes, such as generating images with violence or nudity, or creating unauthorized portraits of public figures in inappropriate contexts. To mitigate these risks, concept removal methods have been proposed. These methods aim to modify diffusion models to prevent the generation of malicious and unwanted concepts. Despite these efforts, existing research faces several challenges: (1) a lack of consistent comparisons on a comprehensive dataset, (2) ineffective prompts in harmful and nudity concepts, (3) overlooked evaluation of the ability to generate the benign part within prompts containing malicious concepts. To address these gaps, we propose to benchmark the concept removal methods by introducing a new dataset, Six-CD, along with a novel evaluation metric. In this benchmark, we conduct a thorough evaluation of concept removals, with the experimental observations and discussions offering valuable insights in the field.

cs.CV↗

arXiv2025

A Survey on Post-training of Large Language Models

The emergence of Large Language Models (LLMs) has fundamentally transformed natural language processing, making them indispensable across domains ranging from conversational systems to scientific exploration. However, their pre-trained architectures often reveal limitations in specialized contexts, including restricted reasoning capacities, ethical uncertainties, and suboptimal domain-specific performance. These challenges necessitate advanced post-training language models (PoLMs) to address these shortcomings, such as OpenAI-o1/o3 and DeepSeek-R1 (collectively known as Large Reasoning Models, or LRMs). This paper presents the first comprehensive survey of PoLMs, systematically tracing their evolution across five core paradigms: Fine-tuning, which enhances task-specific accuracy; Alignment, which ensures ethical coherence and alignment with human preferences; Reasoning, which advances multi-step inference despite challenges in reward design; Efficiency, which optimizes resource utilization amidst increasing complexity; Integration and Adaptation, which extend capabilities across diverse modalities while addressing coherence issues. Charting progress from ChatGPT's alignment strategies to DeepSeek-R1's innovative reasoning advancements, we illustrate how PoLMs leverage datasets to mitigate biases, deepen reasoning capabilities, and enhance domain adaptability. Our contributions include a pioneering synthesis of PoLM evolution, a structured taxonomy categorizing techniques and datasets, and a strategic agenda emphasizing the role of LRMs in improving reasoning proficiency and domain flexibility. As the first survey of its scope, this work consolidates recent PoLM advancements and establishes a rigorous intellectual framework for future research, fostering the development of LLMs that excel in precision, ethical robustness, and versatility across scientific and societal applications.

cs.CL↗

arXiv2025

Towards Understanding Link Predictor Generalizability Under Distribution Shifts

State-of-the-art link prediction (LP) models demonstrate impressive benchmark results. However, popular benchmark datasets often assume that training, validation, and testing samples are representative of the overall dataset distribution. In real-world situations, this assumption is often incorrect; uncontrolled factors lead new dataset samples to come from a different distribution than training samples. Additionally, the majority of recent work with graph dataset shift focuses on node- and graph-level tasks, largely ignoring link-level tasks. To bridge this gap, we introduce a novel splitting strategy, known as LPShift, which utilizes structural properties to induce a controlled distribution shift. We verify LPShift's effect through empirical evaluation of SOTA LP models on 16 LPShift variants of original dataset splits, with results indicating drastic changes to model performance. Additional experiments demonstrate graph structure has a strong influence on the success of current generalization methods. Source Code Available Here: https://github.com/revolins/LPShift

cs.LG↗

arXiv2025

SA-GDA: Spectral Augmentation for Graph Domain Adaptation

Graph neural networks (GNNs) have achieved impressive impressions for graph-related tasks. However, most GNNs are primarily studied under the cases of signal domain with supervised training, which requires abundant task-specific labels and is difficult to transfer to other domains. There are few works focused on domain adaptation for graph node classification. They mainly focused on aligning the feature space of the source and target domains, without considering the feature alignment between different categories, which may lead to confusion of classification in the target domain. However, due to the scarcity of labels of the target domain, we cannot directly perform effective alignment of categories from different domains, which makes the problem more challenging. In this paper, we present the \textit{Spectral Augmentation for Graph Domain Adaptation (\method{})} for graph node classification. First, we observe that nodes with the same category in different domains exhibit similar characteristics in the spectral domain, while different classes are quite different. Following the observation, we align the category feature space of different domains in the spectral domain instead of aligning the whole features space, and we theoretical proof the stability of proposed \method{}. Then, we develop a dual graph convolutional network to jointly exploits local and global consistency for feature aggregation. Last, we utilize a domain classifier with an adversarial learning submodule to facilitate knowledge transfer between different domain graphs. Experimental results on a variety of publicly available datasets reveal the effectiveness of our \method{}.

cs.LG↗

arXiv2025

Subgraph Generation for Generalizing on Out-of-Distribution Links

Graphs Neural Networks (GNNs) demonstrate high-performance on the link prediction (LP) task. However, these models often rely on all dataset samples being drawn from the same distribution. In addition, graph generative models (GGMs) show a pronounced ability to generate novel output graphs. Despite this, GGM applications remain largely limited to domain-specific tasks. To bridge this gap, we propose FLEX as a GGM framework which leverages two mechanism: (1) structurally-conditioned graph generation, and (2) adversarial co-training between an auto-encoder and GNN. As such, FLEX ensures structural-alignment between sample distributions to enhance link-prediction performance in out-of-distribution (OOD) scenarios. Notably, FLEX does not require expert knowledge to function in different OOD scenarios. Numerous experiments are conducted in synthetic and real-world OOD settings to demonstrate FLEX's performance-enhancing ability, with further analysis for understanding the effects of graph data augmentation on link structures. The source code is available here: https://github.com/revolins/FlexOOD.

cs.LG↗

arXiv2025

A LLM-Driven Multi-Agent Systems for Professional Development of Mathematics Teachers

Professional development (PD) serves as the cornerstone for teacher tutors to grasp content knowledge. However, providing equitable and timely PD opportunities for teachers poses significant challenges. To address this issue, we introduce I-VIP (Intelligent Virtual Interactive Program), an intelligent tutoring platform for teacher professional development, driven by large language models (LLMs) and supported by multi-agent frameworks. This platform offers a user-friendly conversational interface and allows users to employ a variety of interactive tools to facilitate question answering, knowledge comprehension, and reflective summarization while engaging in dialogue. To underpin the functionality of this platform, including knowledge expectation analysis, response scoring and classification, and feedback generation, the multi-agent frameworks are leveraged to enhance the accuracy of judgments and mitigate the issue of missing key points.

cs.CY↗

arXiv2025

Unveiling and Mitigating Memorization in Text-to-image Diffusion Models through Cross Attention

Recent advancements in text-to-image diffusion models have demonstrated their remarkable capability to generate high-quality images from textual prompts. However, increasing research indicates that these models memorize and replicate images from their training data, raising tremendous concerns about potential copyright infringement and privacy risks. In our study, we provide a novel perspective to understand this memorization phenomenon by examining its relationship with cross-attention mechanisms. We reveal that during memorization, the cross-attention tends to focus disproportionately on the embeddings of specific tokens. The diffusion model is overfitted to these token embeddings, memorizing corresponding training images. To elucidate this phenomenon, we further identify and discuss various intrinsic findings of cross-attention that contribute to memorization. Building on these insights, we introduce an innovative approach to detect and mitigate memorization in diffusion models. The advantage of our proposed method is that it will not compromise the speed of either the training or the inference processes in these models while preserving the quality of generated images. Our code is available at https://github.com/renjie3/MemAttn .

cs.CV↗

arXiv2025

Towards Better Benchmark Datasets for Inductive Knowledge Graph Completion

Knowledge Graph Completion (KGC) attempts to predict missing facts in a Knowledge Graph (KG). Recently, there's been an increased focus on designing KGC methods that can excel in the inductive setting, where a portion or all of the entities and relations seen in inference are unobserved during training. Numerous benchmark datasets have been proposed for inductive KGC, all of which are subsets of existing KGs used for transductive KGC. However, we find that the current procedure for constructing inductive KGC datasets inadvertently creates a shortcut that can be exploited even while disregarding the relational information. Specifically, we observe that the Personalized PageRank (PPR) score can achieve strong or near SOTA performance on most datasets. In this paper, we study the root cause of this problem. Using these insights, we propose an alternative strategy for constructing inductive KGC datasets that helps mitigate the PPR shortcut. We then benchmark multiple popular methods using the newly constructed datasets and analyze their performance. The new benchmark datasets help promote a better understanding of the capabilities and challenges of inductive KGC by removing any shortcuts that obfuscate performance. The code and dataset and can be found at https://github.com/HarryShomer/Better-Inductive-KGC.

cs.AI↗

arXiv2025

A LLM-Powered Automatic Grading Framework with Human-Level Guidelines Optimization

Open-ended short-answer questions (SAGs) have been widely recognized as a powerful tool for providing deeper insights into learners' responses in the context of learning analytics (LA). However, SAGs often present challenges in practice due to the high grading workload and concerns about inconsistent assessments. With recent advancements in natural language processing (NLP), automatic short-answer grading (ASAG) offers a promising solution to these challenges. Despite this, current ASAG algorithms are often limited in generalizability and tend to be tailored to specific questions. In this paper, we propose a unified multi-agent ASAG framework, GradeOpt, which leverages large language models (LLMs) as graders for SAGs. More importantly, GradeOpt incorporates two additional LLM-based agents - the reflector and the refiner - into the multi-agent system. This enables GradeOpt to automatically optimize the original grading guidelines by performing self-reflection on its errors. Through experiments on a challenging ASAG task, namely the grading of pedagogical content knowledge (PCK) and content knowledge (CK) questions, GradeOpt demonstrates superior performance in grading accuracy and behavior alignment with human graders compared to representative baselines. Finally, comprehensive ablation studies confirm the effectiveness of the individual components designed in GradeOpt.

cs.AI↗

arXiv2025

Unveiling Privacy Risks in LLM Agent Memory

Large Language Model (LLM) agents have become increasingly prevalent across various real-world applications. They enhance decision-making by storing private user-agent interactions in the memory module for demonstrations, introducing new privacy risks for LLM agents. In this work, we systematically investigate the vulnerability of LLM agents to our proposed Memory EXTRaction Attack (MEXTRA) under a black-box setting. To extract private information from memory, we propose an effective attacking prompt design and an automated prompt generation method based on different levels of knowledge about the LLM agent. Experiments on two representative agents demonstrate the effectiveness of MEXTRA. Moreover, we explore key factors influencing memory leakage from both the agent designer's and the attacker's perspectives. Our findings highlight the urgent need for effective memory safeguards in LLM agent design and deployment.

cs.CR↗