arXiv subjects

Zhenyu Lei

Publications and source records attributed to Zhenyu Lei.

At least 19 recordsLinked to original sources

arXiv2026

A Survey of Scaling in Large Language Model Reasoning

The rapid advancements in large Language models (LLMs) have significantly enhanced their reasoning capabilities, driven by various strategies such as multi-agent collaboration. However, unlike the well-established performance improvements achieved through scaling data and model size, the scaling of reasoning in LLMs is more complex and can even negatively impact reasoning performance, introducing new challenges in model alignment and robustness. In this survey, we provide a comprehensive examination of scaling in LLM reasoning, categorizing it into multiple dimensions and analyzing how and to what extent different scaling strategies contribute to improving reasoning capabilities. We begin by exploring scaling in input size, which enables LLMs to process and utilize a more extensive context for improved reasoning. Next, we analyze scaling in reasoning steps that improve multi-step inference and logical consistency. We then examine scaling in reasoning rounds, where iterative interactions refine reasoning outcomes. Furthermore, we discuss scaling in training-enabled reasoning, focusing on optimization through iterative model improvement. Finally, we outline future directions for further advancing LLM reasoning. By synthesizing these diverse perspectives, this survey aims to provide insights into how scaling strategies fundamentally enhance the reasoning capabilities of LLMs and further guide the development of next-generation AI systems.

cs.AI↗

arXiv2026

MoCo: A One-Stop Shop for Model Collaboration Research

Advancing beyond single monolithic language models (LMs), recent research increasingly recognizes the importance of model collaboration, where multiple LMs collaborate, compose, and complement each other. Existing research on this topic has mostly been disparate and disconnected, from different research communities, and lacks rigorous comparison. To consolidate existing research and establish model collaboration as a school of thought, we present MoCo: a one-stop Python library of executing, benchmarking, and comparing model collaboration algorithms at scale. MoCo features 26 model collaboration methods, spanning diverse levels of cross-model information exchange such as routing, text, logit, and model parameters. MoCo integrates 25 evaluation datasets spanning reasoning, QA, code, safety, and more, while users could flexibly bring their own data. Extensive experiments with MoCo demonstrate that most collaboration strategies outperform models without collaboration in 61.0% of (model, data) settings on average, with the most effective methods outperforming by up to 25.8%. We further analyze the scaling of model collaboration strategies, the training/inference efficiency of diverse methods, highlight that the collaborative system solves problems where single LMs struggle, and discuss future work in model collaboration, all made possible by MoCo. We envision MoCo as a valuable toolkit to facilitate and turbocharge the quest for an open, modular, decentralized, and collaborative AI future.

cs.CL↗

arXiv2026

Reforming the Mechanism: Editing Reasoning Patterns in LLMs with Circuit Reshaping

Large language models (LLMs) often exhibit flawed reasoning ability that undermines reliability. Existing approaches to improving reasoning typically treat it as a general and monolithic skill, applying broad training which is inefficient and unable to target specific reasoning errors. We introduce Reasoning Editing, a paradigm for selectively modifying specific reasoning patterns in LLMs while preserving other reasoning pathways. This task presents a fundamental trade-off between Generality, the ability of an edit to generalize across different tasks sharing the same reasoning pattern, and Locality, the ability to preserve other reasoning capabilities. Through systematic investigation, we uncover the Circuit-Interference Law: Edit interference between reasoning patterns is proportional to the overlap of their neural circuits. Guided by this principle, we propose REdit, the first framework to actively reshape neural circuits before editing, thereby modulating interference between reasoning patterns and mitigating the trade-off. REdit integrates three components: (i) Contrastive Circuit Reshaping, which directly addresses the generality-locality trade-off by disentangling overlapping circuits; (ii) Meta-Contrastive Learning, which extends transferability to novel reasoning patterns; and (iii) Dual-Level Protection, which preserves preexisting abilities by constraining reshaping update directions and regularizing task-level predictions. Extensive experiments with Qwen-2.5-3B on propositional logic reasoning tasks across three difficulty levels demonstrate that REdit consistently achieves superior generality and locality compared to baselines, with additional validation in mathematics showing broader potential. Our code is available at https://github.com/LzyFischer/REdit.

cs.CL↗

arXiv2026

A GPU-Accelerated Hybrid Method for a Class of Multi-Depot Vehicle Routing Problems

Multi-depot vehicle routing problems (MDVRPs) are prevalent in a variety of practical applications. However, they are computationally challenging to solve due to their inherent complexity. This paper proposes an effective hybrid algorithm for a class of MDVRPs. The algorithm integrates a learning-driven, diversity-controlled route-exchange crossover and a multi-depot-supported feasible-and-infeasible search framework guided by a multi-penalty evaluation function. Two dedicated depot-related local search operators are incorporated to further strengthen the search capability in multi-depot settings. To improve computational efficiency and scalability, an enhanced version of the algorithm is developed that uses a tensor-based GPU acceleration combined with a novel multi-move update strategy. Extensive computational experiments on benchmark instances of three MDVRP variants show that the proposed algorithms are highly competitive with state-of-the-art methods, especially for large-scale instances.

cs.RO↗

arXiv2026

BrainTAP: Brain Disorder Prediction with Adaptive Distill and Selective Prior Integration

Predicting clinical outcomes from brain networks in large-scale neuroimaging cohorts such as the Adolescent Brain Cognitive Development (ABCD) study requires effectively integrating functional connectivity (FC) and structural connectivity (SC) while incorporating expert neurobiological knowledge. However, existing multimodal fusion approaches are shallow or over-homogenize the inherently heterogeneous characteristics of FC and SC, while expert-defined anatomical priors are underutilized with static integration. To address these limitations, we propose Brain Transformer with Adaptive Mutual-Distill and Selective Prior Fusion (BrainTAP). We introduce Adaptive Mutual Distill (AMD), which enables layer-wise information exchange between modalities through learnable distill-intact ratios, preserving modality-specific signals while capturing cross-modal synergies. We further develop Selective Prior Fusion (SPF), which integrates expert-defined anatomical priors in an adaptive way. Evaluated on the ABCD dataset for predicting attention-related disorders, BrainTAP achieves superior performance over state-of-the-art baselines, demonstrating its effectiveness for brain disorder prediction.

cs.CE↗

arXiv2026

Uncovering Latent Communication Patterns in Brain Networks via Adaptive Flow Routing

Unraveling how macroscopic cognitive phenotypes emerge from microscopic neuronal connectivity remains one of the core pursuits of neuroscience. To this end, researchers typically leverage multi-modal information from structural connectivity (SC) and functional connectivity (FC) to complete downstream tasks. Recent methodologies explore the intricate coupling mechanisms between SC and FC, attempting to fuse their representations at the regional level. However, lacking fundamental neuroscientific insight, these approaches fail to uncover the latent interactions between neural regions underlying these connectomes, and thus cannot explain why SC and FC exhibit dynamic states of both coupling and heterogeneity. In this paper, we formulate multi-modal fusion through the lens of neural communication dynamics and propose the Adaptive Flow Routing Network (AFR-Net), a physics-informed framework that models how structural constraints (SC) give rise to functional communication patterns (FC), enabling interpretable discovery of critical neural pathways. Extensive experiments demonstrate that AFR-Net significantly outperforms state-of-the-art baselines. The code is available at https://anonymous.4open.science/r/DIAL-F0D1.

cs.AI↗

arXiv2026

Speeding up Local Optimization in Vehicle Routing with Tensor-based GPU Acceleration

Local search plays a central role in many effective heuristic algorithms for the vehicle routing problem (VRP) and its variants. However, neighborhood exploration is known to be computationally expensive and time consuming, especially for large instances or problems with complex constraints. In this study, we explore a promising direction to address this challenge by introducing an original tensor-based GPU acceleration method designed to speed up the commonly used local search operators in vehicle routing. By using an attribute-based representation, the method offers broad extensibility, making it applicable to different VRP variants. Its low-coupling architecture, with intensive computations completely offloaded to the GPU, ensures seamless integration in various local search-based algorithms and frameworks, leading to significant improvements in computational efficiency and potentially improved solution quality. Through comparative experiments on benchmark instances of three routing problems, we demonstrate the substantial computational advantages of the proposed approach over traditional CPU-based implementations. We also provide a detailed analysis of the strengths and limitations of the method, providing valuable insights into its performance characteristics and identifying potential bottlenecks in practical applications. These findings contribute to a better understanding and suggest directions for future improvements.

cs.DC↗

arXiv2025

MolEdit: Knowledge Editing for Multimodal Molecule Language Models

Understanding and continuously refining multimodal molecular knowledge is crucial for advancing biomedicine, chemistry, and materials science. Molecule language models (MoLMs) have become powerful tools in these domains, integrating structural representations (e.g., SMILES strings, molecular graphs) with rich contextual descriptions (e.g., physicochemical properties). However, MoLMs can encode and propagate inaccuracies due to outdated web-mined training corpora or malicious manipulation, jeopardizing downstream discovery pipelines. While knowledge editing has been explored for general-domain AI, its application to MoLMs remains uncharted, presenting unique challenges due to the multifaceted and interdependent nature of molecular knowledge. In this paper, we take the first step toward MoLM editing for two critical tasks: molecule-to-caption generation and caption-to-molecule generation. To address molecule-specific challenges, we propose MolEdit, a powerful framework that enables targeted modifications while preserving unrelated molecular knowledge. MolEdit combines a Multi-Expert Knowledge Adapter that routes edits to specialized experts for different molecular facets with an Expertise-Aware Editing Switcher that activates the adapters only when input closely matches the stored edits across all expertise, minimizing interference with unrelated knowledge. To systematically evaluate editing performance, we introduce MEBench, a comprehensive benchmark assessing multiple dimensions, including Reliability (accuracy of the editing), Locality (preservation of irrelevant knowledge), and Generality (robustness to reformed queries). Across extensive experiments on two popular MoLM backbones, MolEdit delivers up to 18.8% higher Reliability and 12.0% better Locality than baselines while maintaining efficiency. The code is available at: https://github.com/LzyFischer/MolEdit.

cs.LG↗

arXiv2025

From Cross-Task Examples to In-Task Prompts: A Graph-Based Pseudo-Labeling Framework for In-context Learning

The capability of in-context learning (ICL) enables large language models (LLMs) to perform novel tasks without parameter updates by conditioning on a few input-output examples. However, collecting high-quality examples for new or challenging tasks can be costly and labor-intensive. In this work, we propose a cost-efficient two-stage pipeline that reduces reliance on LLMs for data labeling. Our approach first leverages readily available cross-task examples to prompt an LLM and pseudo-label a small set of target task instances. We then introduce a graph-based label propagation method that spreads label information to the remaining target examples without additional LLM queries. The resulting fully pseudo-labeled dataset is used to construct in-task demonstrations for ICL. This pipeline combines the flexibility of cross-task supervision with the scalability of LLM-free propagation. Experiments across five tasks demonstrate that our method achieves strong performance while lowering labeling costs.

cs.AI↗

arXiv2025

GraphTOP: Graph Topology-Oriented Prompting for Graph Neural Networks

Graph Neural Networks (GNNs) have revolutionized the field of graph learning by learning expressive graph representations from massive graph data. As a common pattern to train powerful GNNs, the "pre-training, adaptation" scheme first pre-trains GNNs over unlabeled graph data and subsequently adapts them to specific downstream tasks. In the adaptation phase, graph prompting is an effective strategy that modifies input graph data with learnable prompts while keeping pre-trained GNN models frozen. Typically, existing graph prompting studies mainly focus on *feature-oriented* methods that apply graph prompts to node features or hidden representations. However, these studies often achieve suboptimal performance, as they consistently overlook the potential of *topology-oriented* prompting, which adapts pre-trained GNNs by modifying the graph topology. In this study, we conduct a pioneering investigation of graph prompting in terms of graph topology. We propose the first **Graph** **T**opology-**O**riented **P**rompting (GraphTOP) framework to effectively adapt pre-trained GNN models for downstream tasks. More specifically, we reformulate topology-oriented prompting as an edge rewiring problem within multi-hop local subgraphs and relax it into the continuous probability space through reparameterization while ensuring tight relaxation and preserving graph sparsity. Extensive experiments on five graph datasets under four pre-training strategies demonstrate that our proposed GraphTOP outshines six baselines on multiple node classification datasets. Our code is available at https://github.com/xbfu/GraphTOP.

cs.LG↗

arXiv2025

Interpretable Neuropsychiatric Diagnosis via Concept-Guided Graph Neural Networks

Nearly one in five adolescents currently live with a diagnosed mental or behavioral health condition, such as anxiety, depression, or conduct disorder, underscoring the urgency of developing accurate and interpretable diagnostic tools. Resting-state functional magnetic resonance imaging (rs-fMRI) provides a powerful lens into large-scale functional connectivity, where brain regions are modeled as nodes and inter-regional synchrony as edges, offering clinically relevant biomarkers for psychiatric disorders. While prior works use graph neural network (GNN) approaches for disorder prediction, they remain complex black-boxes, limiting their reliability and clinical translation. In this work, we propose CONCEPTNEURO, a concept-based diagnosis framework that leverages large language models (LLMs) and neurobiological domain knowledge to automatically generate, filter, and encode interpretable functional connectivity concepts. Each concept is represented as a structured subgraph linking specific brain regions, which are then passed through a concept classifier. Our design ensures predictions through clinically meaningful connectivity patterns, enabling both interpretability and strong predictive performance. Extensive experiments across multiple psychiatric disorder datasets demonstrate that CONCEPTNEURO-augmented GNNs consistently outperform their vanilla counterparts, improving accuracy while providing transparent, clinically aligned explanations. Furthermore, concept analyses highlight disorder-specific connectivity patterns that align with expert knowledge and suggest new hypotheses for future investigation, establishing CONCEPTNEURO as an interpretable, domain-informed framework for psychiatric disorder diagnosis.

cs.LG↗

arXiv2025

Learning from Diverse Reasoning Paths with Routing and Collaboration

Advances in large language models (LLMs) significantly enhance reasoning capabilities but their deployment is restricted in resource-constrained scenarios. Knowledge distillation addresses this by transferring knowledge from powerful teacher models to compact and transparent students. However, effectively capturing the teacher's comprehensive reasoning is challenging due to conventional token-level supervision's limited scope. Using multiple reasoning paths per query alleviates this problem, but treating each path identically is suboptimal as paths vary widely in quality and suitability across tasks and models. We propose Quality-filtered Routing with Cooperative Distillation (QR-Distill), combining path quality filtering, conditional routing, and cooperative peer teaching. First, quality filtering retains only correct reasoning paths scored by an LLM-based evaluation. Second, conditional routing dynamically assigns paths tailored to each student's current learning state. Finally, cooperative peer teaching enables students to mutually distill diverse insights, addressing knowledge gaps and biases toward specific reasoning styles. Experiments demonstrate QR-Distill's superiority over traditional single- and multi-path distillation methods. Ablation studies further highlight the importance of each component including quality filtering, conditional routing, and peer teaching in effective knowledge transfer. Our code is available at https://github.com/LzyFischer/Distill.

cs.CL↗

arXiv2025

Harnessing Large Language Models for Disaster Management: A Survey

Large language models (LLMs) have revolutionized scientific research with their exceptional capabilities and transformed various fields. Among their practical applications, LLMs have been playing a crucial role in mitigating threats to human life, infrastructure, and the environment. Despite growing research in disaster LLMs, there remains a lack of systematic review and in-depth analysis of LLMs for natural disaster management. To address the gap, this paper presents a comprehensive survey of existing LLMs in natural disaster management, along with a taxonomy that categorizes existing works based on disaster phases and application scenarios. By collecting public datasets and identifying key challenges and opportunities, this study aims to guide the professional community in developing advanced LLMs for disaster management to enhance the resilience against natural disasters.

cs.CL↗

arXiv2025

Energy-Based Models for Predicting Mutational Effects on Proteins

Predicting changes in binding free energy ($ΔΔG$) is a vital task in protein engineering and protein-protein interaction (PPI) engineering for drug discovery. Previous works have observed a high correlation between $ΔΔG$ and entropy, using probabilities of biologically important objects such as side chain angles and residue identities to estimate $ΔΔG$. However, estimating the full conformational distribution of a protein complex is generally considered intractable. In this work, we propose a new approach to $ΔΔG$ prediction that avoids this issue by instead leveraging energy-based models for estimating the probability of a complex's conformation. Specifically, we novelly decompose $ΔΔG$ into a sequence-based component estimated by an inverse folding model and a structure-based component estimated by an energy model. This decomposition is made tractable by assuming equilibrium between the bound and unbound states, allowing us to simplify the estimation of degeneracies associated with each state. Unlike previous deep learning-based methods, our method incorporates an energy-based physical inductive bias by connecting the often-used sequence log-odds ratio-based approach to $ΔΔG$ prediction with a new $ΔΔE$ term grounded in statistical mechanics. We demonstrate superiority over existing state-of-the-art structure and sequence-based deep learning methods in $ΔΔG$ prediction and antibody optimization against SARS-CoV-2.

cs.LG↗

arXiv2025

Graph Prompting for Graph Learning Models: Recent Advances and Future Directions

Graph learning models have demonstrated great prowess in learning expressive representations from large-scale graph data in a wide variety of real-world scenarios. As a prevalent strategy for training powerful graph learning models, the "pre-training, adaptation" scheme first pre-trains graph learning models on unlabeled graph data in a self-supervised manner and then adapts them to specific downstream tasks. During the adaptation phase, graph prompting emerges as a promising approach that learns trainable prompts while keeping the pre-trained graph learning models unchanged. In this paper, we present a systematic review of recent advancements in graph prompting. First, we introduce representative graph pre-training methods that serve as the foundation step of graph prompting. Next, we review mainstream techniques in graph prompting and elaborate on how they design learnable prompts for graph prompting. Furthermore, we summarize the real-world applications of graph prompting from different domains. Finally, we discuss several open challenges in existing studies with promising future directions in this field.

cs.LG↗

arXiv2025

BrainMAP: Learning Multiple Activation Pathways in Brain Networks

Functional Magnetic Resonance Image (fMRI) is commonly employed to study human brain activity, since it offers insight into the relationship between functional fluctuations and human behavior. To enhance analysis and comprehension of brain activity, Graph Neural Networks (GNNs) have been widely applied to the analysis of functional connectivities (FC) derived from fMRI data, due to their ability to capture the synergistic interactions among brain regions. However, in the human brain, performing complex tasks typically involves the activation of certain pathways, which could be represented as paths across graphs. As such, conventional GNNs struggle to learn from these pathways due to the long-range dependencies of multiple pathways. To address these challenges, we introduce a novel framework BrainMAP to learn Multiple Activation Pathways in Brain networks. BrainMAP leverages sequential models to identify long-range correlations among sequentialized brain regions and incorporates an aggregation module based on Mixture of Experts (MoE) to learn from multiple pathways. Our comprehensive experiments highlight BrainMAP's superior performance. Furthermore, our framework enables explanatory analyses of crucial brain regions involved in tasks. Our code is provided at https://github.com/LzyFischer/Graph-Mamba.

cs.AI↗

arXiv2024

ST-FiT: Inductive Spatial-Temporal Forecasting with Limited Training Data

Spatial-temporal graphs are widely used in a variety of real-world applications. Spatial-Temporal Graph Neural Networks (STGNNs) have emerged as a powerful tool to extract meaningful insights from this data. However, in real-world applications, most nodes may not possess any available temporal data during training. For example, the pandemic dynamics of most cities on a geographical graph may not be available due to the asynchronous nature of outbreaks. Such a phenomenon disagrees with the training requirements of most existing spatial-temporal forecasting methods, which jeopardizes their effectiveness and thus blocks broader deployment. In this paper, we propose to formulate a novel problem of inductive forecasting with limited training data. In particular, given a spatial-temporal graph, we aim to learn a spatial-temporal forecasting model that can be easily generalized onto those nodes without any available temporal training data. To handle this problem, we propose a principled framework named ST-FiT. ST-FiT consists of two key learning components: temporal data augmentation and spatial graph topology learning. With such a design, ST-FiT can be used on top of any existing STGNNs to achieve superior performance on the nodes without training data. Extensive experiments verify the effectiveness of ST-FiT in multiple key perspectives.

cs.LG↗

arXiv2024

IDEA: A Flexible Framework of Certified Unlearning for Graph Neural Networks

Graph Neural Networks (GNNs) have been increasingly deployed in a plethora of applications. However, the graph data used for training may contain sensitive personal information of the involved individuals. Once trained, GNNs typically encode such information in their learnable parameters. As a consequence, privacy leakage may happen when the trained GNNs are deployed and exposed to potential attackers. Facing such a threat, machine unlearning for GNNs has become an emerging technique that aims to remove certain personal information from a trained GNN. Among these techniques, certified unlearning stands out, as it provides a solid theoretical guarantee of the information removal effectiveness. Nevertheless, most of the existing certified unlearning methods for GNNs are only designed to handle node and edge unlearning requests. Meanwhile, these approaches are usually tailored for either a specific design of GNN or a specially designed training objective. These disadvantages significantly jeopardize their flexibility. In this paper, we propose a principled framework named IDEA to achieve flexible and certified unlearning for GNNs. Specifically, we first instantiate four types of unlearning requests on graphs, and then we propose an approximation approach to flexibly handle these unlearning requests over diverse GNNs. We further provide theoretical guarantee of the effectiveness for the proposed approach as a certification. Different from existing alternatives, IDEA is not designed for any specific GNNs or optimization objectives to perform certified unlearning, and thus can be easily generalized. Extensive experiments on real-world datasets demonstrate the superiority of IDEA in multiple key perspectives.

cs.LG↗