arXiv subjects

Quanming Yao

Publications and source records attributed to Quanming Yao.

At least 37 records · Page 2Linked to original sources

arXiv2026

DA-RAG: Dynamic Attributed Community Search for Retrieval-Augmented Generation

Owing to their unprecedented comprehension capabilities, large language models (LLMs) have become indispensable components of modern web search engines. From a technical perspective, this integration represents retrieval-augmented generation (RAG), which enhances LLMs by grounding them in external knowledge bases. A prevalent technical approach in this context is graph-based RAG (G-RAG). However, current G-RAG methodologies frequently underutilize graph topology, predominantly focusing on low-order structures or pre-computed static communities. This limitation affects their effectiveness in addressing dynamic and complex queries. Thus, we propose DA-RAG, which leverages attributed community search (ACS) to extract relevant subgraphs based on the queried question dynamically. DA-RAG captures high-order graph structures, allowing for the retrieval of self-complementary knowledge. Furthermore, DA-RAG is equipped with a chunk-layer oriented graph index, which facilitates efficient multi-granularity retrieval while significantly reducing both computational and economic costs. We evaluate DA-RAG on multiple datasets, demonstrating that it outperforms existing RAG methods by up to 40% in head-to-head comparisons across four metrics while reducing index construction time and token overhead by up to 37% and 41%, respectively.

cs.IR↗

arXiv2026

Self-Generative Adversarial Fine-Tuning for Large Language Models

Fine-tuning large language models (LLMs) for alignment typically relies on supervised fine-tuning or reinforcement learning from human feedback, both limited by the cost and scarcity of high-quality annotations. Recent self-play and synthetic data approaches reduce this dependence but often rely on heuristic assumptions or ungrounded self-evaluation, which can cause bias accumulation and performance drift. In this paper, we propose Self-Generative Adversarial LLM (SGALM), a unified fine-tuning framework that formulates alignment as a generative adversarial game within a single LLM. SGALM jointly evolves generation and discrimination capabilities without external reward models. Theoretical and empirical results demonstrate that SGALM achieves state-of-the-art performance, serves as an effective alignment algorithm and a robust synthetic data engine.

cs.LG↗

arXiv2026

Bridging Graph Structure and Knowledge-Guided Editing for Interpretable Temporal Knowledge Graph Reasoning

Temporal knowledge graph reasoning (TKGR) aims to predict future events by inferring missing entities with dynamic knowledge structures. Existing LLM-based reasoning methods prioritize contextual over structural relations, struggling to extract relevant subgraphs from dynamic graphs. This limits structural information understanding, leading to unstructured, hallucination-prone inferences especially with temporal inconsistencies. To address this problem, we propose IGETR (Integration of Graph and Editing-enhanced Temporal Reasoning), a hybrid reasoning framework that combines the structured temporal modeling capabilities of Graph Neural Networks (GNNs) with the contextual understanding of LLMs. IGETR operates through a three-stage pipeline. The first stage aims to ground the reasoning process in the actual data by identifying structurally and temporally coherent candidate paths through a temporal GNN, ensuring that inference starts from reliable graph-based evidence. The second stage introduces LLM-guided path editing to address logical and semantic inconsistencies, leveraging external knowledge to refine and enhance the initial paths. The final stage focuses on integrating the refined reasoning paths to produce predictions that are both accurate and interpretable. Experiments on standard TKG benchmarks show that IGETR achieves state-of-the-art performance, outperforming strong baselines with relative improvements of up to 5.6% on Hits@1 and 8.1% on Hits@3 on the challenging ICEWS datasets. Additionally, we execute ablation studies and additional analyses confirm the effectiveness of each component.

cs.LG↗

arXiv2025

LLM-Empowered Representation Learning for Emerging Item Recommendation

In this work, we tackle the challenge of recommending emerging items, whose interactions gradually accumulate over time. Existing methods often overlook this dynamic process, typically assuming that emerging items have few or even no historical interactions. Such an assumption oversimplifies the problem, as a good model must preserve the uniqueness of emerging items while leveraging their shared patterns with established ones. To address this challenge, we propose EmerFlow, a novel LLM-empowered representation learning framework that generates distinctive embeddings for emerging items. It first enriches the raw features of emerging items through LLM reasoning, then aligns these representations with the embedding space of the existing recommendation model. Finally, new interactions are incorporated through meta-learning to refine the embeddings. This enables EmerFlow to learn expressive embeddings for emerging items from only limited interactions. Extensive experiments across diverse domains, including movies and pharmaceuticals, show that EmerFlow consistently outperforms existing methods.

cs.AI↗

arXiv2025

Evolutionary Discovery of Heuristic Policies for Traffic Signal Control

Traffic Signal Control (TSC) involves a challenging trade-off: classic heuristics are efficient but oversimplified, while Deep Reinforcement Learning (DRL) achieves high performance yet suffers from poor generalization and opaque policies. Online Large Language Models (LLMs) provide general reasoning but incur high latency and lack environment-specific optimization. To address these issues, we propose Temporal Policy Evolution for Traffic (\textbf{\method{}}), which uses LLMs as an evolution engine to derive specialized heuristic policies. The framework introduces two key modules: (1) Structured State Abstraction (SSA), converting high-dimensional traffic data into temporal-logical facts for reasoning; and (2) Credit Assignment Feedback (CAF), tracing flawed micro-decisions to poor macro-outcomes for targeted critique. Operating entirely at the prompt level without training, \method{} yields lightweight, robust policies optimized for specific traffic environments, outperforming both heuristics and online LLM actors.

cs.AI↗

arXiv2025

Distillation-based Scenario-Adaptive Mixture-of-Experts for the Matching Stage of Multi-scenario Recommendation

Multi-scenario recommendation is pivotal for optimizing user experience across diverse contexts. While Multi-gate Mixture-of-Experts (MMOE) thrives in ranking, its transfer to the matching stage is hindered by the blind optimization inherent to independent two-tower architectures and the parameter dominance of head scenarios. To address these structural and distributional bottlenecks, we propose Distillation-based Scenario-Adaptive Mixture-of-Experts (DSMOE). Specially, we devise a Scenario-Adaptive Projection (SAP) module to generate lightweight, context-specific parameters, effectively preventing expert collapse in long-tail scenarios. Concurrently, we introduce a cross-architecture knowledge distillation framework, where an interaction-aware teacher guides the two-tower student to capture complex matching patterns. Extensive experiments on real-world datasets demonstrate DSMOE's superiority, particularly in significantly improving retrieval quality for under-represented, data-sparse scenarios.

cs.IR↗

arXiv2025

Efficient Reinforcement Learning for Zero-Shot Coordination in Evolving Games

Zero-shot coordination(ZSC), a key challenge in multi-agent game theory, has become a hot topic in reinforcement learning (RL) research recently, especially in complex evolving games. It focuses on the generalization ability of agents, requiring them to coordinate well with collaborators from a diverse, potentially evolving, pool of partners that are not seen before without any fine-tuning. Population-based training, which approximates such an evolving partner pool, has been proven to provide good zero-shot coordination performance; nevertheless, existing methods are limited by computational resources, mainly focusing on optimizing diversity in small populations while neglecting the potential performance gains from scaling population size. To address this issue, this paper proposes the Scalable Population Training (ScaPT), an efficient RL training framework comprising two key components: a meta-agent that efficiently realizes a population by selectively sharing parameters across agents, and a mutual information regularizer that guarantees population diversity. To empirically validate the effectiveness of ScaPT, this paper evaluates it along with representational frameworks in Hanabi cooperative game and confirms its superiority.

cs.LG↗

arXiv2025

Learning to Learn with Contrastive Meta-Objective

Meta-learning enables learning systems to adapt quickly to new tasks, similar to humans. Different meta-learning approaches all work under/with the mini-batch episodic training framework. Such framework naturally gives the information about task identity, which can serve as additional supervision for meta-training to improve generalizability. We propose to exploit task identity as additional supervision in meta-training, inspired by the alignment and discrimination ability which is is intrinsic in human's fast learning. This is achieved by contrasting what meta-learners learn, i.e., model representations. The proposed ConML is evaluating and optimizing the contrastive meta-objective under a problem- and learner-agnostic meta-training framework. We demonstrate that ConML integrates seamlessly with existing meta-learners, as well as in-context learning models, and brings significant boost in performance with small implementation cost.

cs.LG↗

arXiv2025

Benchmarking drug-drug interaction prediction methods: a perspective of distribution changes

Motivation: Emerging drug-drug interaction (DDI) prediction is crucial for new drugs but is hindered by distribution changes between known and new drugs in real-world scenarios. Current evaluation often neglects these changes, relying on unrealistic i.i.d. split due to the absence of drug approval data. Results: We propose DDI-Ben, a benchmarking framework for emerging DDI prediction under distribution changes. DDI-Ben introduces a distribution change simulation framework that leverages distribution changes between drug sets as a surrogate for real-world distribution changes of DDIs, and is compatible with various drug split strategies. Through extensive benchmarking on ten representative methods, we show that most existing approaches suffer substantial performance degradation under distribution changes. Our analysis further indicates that large language model (LLM) based methods and the integration of drug-related textual information offer promising robustness against such degradation. To support future research, we release the benchmark datasets with simulated distribution changes. Overall, DDI-Ben highlights the importance of explicitly addressing distribution changes and provides a foundation for developing more resilient methods for emerging DDI prediction. Availability and implementation: Our code and data are available at https://github.com/LARS-research/DDI-Bench.

cs.LG↗

arXiv2025

Attending on Multilevel Structure of Proteins enables Accurate Prediction of Cold-Start Drug-Target Interactions

Cold-start drug-target interaction (DTI) prediction focuses on interaction between novel drugs and proteins. Previous methods typically learn transferable interaction patterns between structures of drug and proteins to tackle it. However, insight from proteomics suggest that protein have multi-level structures and they all influence the DTI. Existing works usually represent protein with only primary structures, limiting their ability to capture interactions involving higher-level structures. Inspired by this insight, we propose ColdDTI, a framework attending on protein multi-level structure for cold-start DTI prediction. We employ hierarchical attention mechanism to mine interaction between multi-level protein structures (from primary to quaternary) and drug structures at both local and global granularities. Then, we leverage mined interactions to fuse structure representations of different levels for final prediction. Our design captures biologically transferable priors, avoiding the risk of overfitting caused by excessive reliance on representation learning. Experiments on benchmark datasets demonstrate that ColdDTI consistently outperforms previous methods in cold-start settings.

cs.LG↗

arXiv2025

Spectral Alignment as Predictor of Loss Explosion in Neural Network Training

Loss explosions in training deep neural networks can nullify multi-million dollar training runs. Conventional monitoring metrics like weight and gradient norms are often lagging and ambiguous predictors, as their values vary dramatically across different models and even between layers of the same model, making it difficult to establish a unified standard for detecting impending failure. We introduce Spectral Alignment (SA), a novel, theoretically-grounded metric that monitors the distributional alignment between layer inputs and the principal singular vectors of weight matrices. We show that a collapse in the sign diversity of this alignment is a powerful early predictor of representational collapse and training divergence. Empirical results on language models demonstrate that monitoring the SA distribution provides a significantly earlier and clearer warning of loss explosions than traditional scalar metrics. SA's low computational overhead makes it a practical tool for safeguarding model training.

cs.LG↗

arXiv2025

Degree-Conscious Spiking Graph for Cross-Domain Adaptation

Spiking Graph Networks (SGNs) have demonstrated significant potential in graph classification by emulating brain-inspired neural dynamics to achieve energy-efficient computation. However, existing SGNs are generally constrained to in-distribution scenarios and struggle with distribution shifts. In this paper, we first propose the domain adaptation problem in SGNs, and introduce a novel framework named Degree-Consicious Spiking Graph for Cross-Domain Adaptation (DeSGraDA). DeSGraDA enhances generalization across domains with three key components. First, we introduce the degree-conscious spiking representation module by adapting spike thresholds based on node degrees, enabling more expressive and structure-aware signal encoding. Then, we perform temporal distribution alignment by adversarially matching membrane potentials between domains, ensuring effective performance under domain shift while preserving energy efficiency. Additionally, we extract consistent predictions across two spaces to create reliable pseudo-labels, effectively leveraging unlabeled data to enhance graph classification performance. Furthermore, we establish the first generalization bound for SGDA, providing theoretical insights into its adaptation performance. Extensive experiments on benchmark datasets validate that DeSGraDA consistently outperforms state-of-the-art methods in both classification accuracy and energy efficiency.

cs.LG↗

arXiv2025

Superpose Task-specific Features for Model Merging

Model merging enables powerful capabilities in neural networks without requiring additional training. In this paper, we introduce a novel perspective on model merging by leveraging the fundamental mechanisms of neural network representation. Our approach is motivated by the linear representation hypothesis, which states that neural networks encode information through linear combinations of feature vectors. We propose a method that superposes task-specific features from individual models into a merged model. Our approach specifically targets linear transformation matrices, which are crucial for feature activation and extraction in deep networks. By formulating the merging process as a linear system, we can preserve task-specific features from individual models and create merged models that effectively maintain multi-task capabilities compared to existing methods. Extensive experiments across diverse benchmarks and models demonstrate that our method outperforms existing techniques. Code is available at https://github.com/LARS-research/STF.

cs.LG↗

arXiv2025

Reflective Paper-to-Code Reproduction Enabled by Fine-Grained Verification

Reproducing machine learning papers is essential for scientific progress but remains challenging for both humans and automated agents. Existing agent-based methods often struggle to fully and accurately reproduce implementation details such as mathematical formulas and algorithmic logic. Previous studies show that reflection with explicit feedback improves agent performance. However, current paper reproduction methods fail to effectively adopt this strategy. This gap mainly arises from the diverse paper patterns, complex method modules, and varied configurations encountered in research papers. Motivated by how humans use systematic checklists to efficiently debug complex code, we propose \textbf{RePro}, a \textbf{Re}flective Paper-to-Code \textbf{Repro}duction framework that automatically extracts a paper's fingerprint, referring to a comprehensive set of accurate and atomic criteria serving as high-quality supervisory signals. The framework first generates code based on the extracted information, and then leverages the fingerprint within iterative verification and refinement loop. This approach systematically detects discrepancies and produces targeted revisions to align generated code with the paper's implementation details. Extensive experiments on the PaperBench Code-Dev benchmark have been conducted, RePro achieves 13.0\% performance gap over baselines, and it correctly revises complex logical and mathematical criteria in reflecting, on which the effectiveness is obvious.

cs.SE↗

arXiv2025

PERSCEN: Learning Personalized Interaction Pattern and Scenario Preference for Multi-Scenario Matching

With the expansion of business scales and scopes on online platforms, multi-scenario matching has become a mainstream solution to reduce maintenance costs and alleviate data sparsity. The key to effective multi-scenario recommendation lies in capturing both user preferences shared across all scenarios and scenario-aware preferences specific to each scenario. However, existing methods often overlook user-specific modeling, limiting the generation of personalized user representations. To address this, we propose PERSCEN, an innovative approach that incorporates user-specific modeling into multi-scenario matching. PERSCEN constructs a user-specific feature graph based on user characteristics and employs a lightweight graph neural network to capture higher-order interaction patterns, enabling personalized extraction of preferences shared across scenarios. Additionally, we leverage vector quantization techniques to distil scenario-aware preferences from users' behavior sequence within individual scenarios, facilitating user-specific and scenario-aware preference modeling. To enhance efficient and flexible information transfer, we introduce a progressive scenario-aware gated linear unit that allows fine-grained, low-latency fusion. Extensive experiments demonstrate that PERSCEN outperforms existing methods. Further efficiency analysis confirms that PERSCEN effectively balances performance with computational cost, ensuring its practicality for real-world industrial systems.

cs.IR↗

arXiv2025

UniMoT: Unified Molecule-Text Language Model with Discrete Token Representation

The remarkable success of Large Language Models (LLMs) across diverse tasks has driven the research community to extend their capabilities to molecular applications. However, most molecular LLMs employ adapter-based architectures that do not treat molecule and text modalities equally and lack a supervision signal for the molecule modality. To address these issues, we introduce UniMoT, a Unified Molecule-Text LLM adopting a tokenizer-based architecture that expands the vocabulary of LLM with molecule tokens. Specifically, we introduce a Vector Quantization-driven tokenizer that incorporates a Q-Former to bridge the modality gap between molecule and text. This tokenizer transforms molecules into sequences of molecule tokens with causal dependency, encapsulating high-level molecular and textual information. Equipped with this tokenizer, UniMoT can unify molecule and text modalities under a shared token representation and an autoregressive training paradigm, enabling it to interpret molecules as a foreign language and generate them as text. Following a four-stage training scheme, UniMoT emerges as a multi-modal generalist capable of performing both molecule-to-text and text-to-molecule tasks. Extensive experiments demonstrate that UniMoT achieves state-of-the-art performance across a wide range of molecule comprehension and generation tasks.

cs.CL↗

arXiv2025

Automated Decision-Making on Networks with LLMs through Knowledge-Guided Evolution

Effective decision-making on networks often relies on learning from graph-structured data, where Graph Neural Networks (GNNs) play a central role, but they take efforts to configure and tune. In this demo, we propose LLMNet, showing how to design GNN automated through Large Language Models. Our system develops a set of agents that construct graph-related knowlege bases and then leverages Retrieval-Augmented Generation (RAG) to support automated configuration and refinement of GNN models through a knowledge-guided evolution process. These agents, equipped with specialized knowledge bases, extract insights into tasks and graph structures by interacting with the knowledge bases. Empirical results show LLMNet excels in twelve datasets across three graph learning tasks, validating its effectiveness of GNN model designing.

cs.LG↗

arXiv2025

HIGHT: Hierarchical Graph Tokenization for Molecule-Language Alignment

Recently, there has been a surge of interest in extending the success of large language models (LLMs) from texts to molecules. Most existing approaches adopt a graph neural network to represent a molecule as a series of node tokens for molecule-language alignment, which, however, have overlooked the inherent hierarchical structures in molecules. Notably, higher-order molecular structures contain rich semantics of functional groups, which encode crucial biochemical functionalities of the molecules. We show that neglecting the hierarchical information in tokenization will lead to subpar molecule-language alignment and severe hallucination. To address this limitation, we propose HIerarchical GrapH Tokenization (HIGHT). HIGHT employs a hierarchical graph tokenizer that encodes the hierarchy of atom, motif, and molecular levels of informative tokens to improve the molecular perception of LLMs. HIGHT also adopts an augmented instruction tuning dataset, enriched with the hierarchical graph information, to further enhance the molecule-language alignment. Extensive experiments on 14 real-world benchmarks verify the effectiveness of HIGHT in reducing hallucination by 40%, and significant improvements in various molecule-language downstream tasks. The project is available at https: //higraphllm.github.io/.

cs.CL↗