Large language models (LLMs) have recently empowered multi-agent systems (MAS) to achieve remarkable advances in collaborative reasoning and complex task automation. The effectiveness of these systems fundamentally depends on the design of adaptive communication graphs—the underlying workflows that coordinate agent interactions. However, in real-world scenarios, strict privacy constraints often silo data across organizations, and client distributions are highly non-IID, posing major challenges for synthesizing such workflows. In this work, we are the first to systematically study distributed multi-agent workflow synthesis under these privacy and heterogeneity constraints, and we introduce the Difficulty-Based Skew (DBS) benchmark to emulate such challenging environments. Drawing inspiration from federated graph learning (FGL)—which has primarily focused on classification over static graphs—we identify a critical gap: existing FGL methods do not address the generative design of communication topologies. We reveal two fundamental obstacles to generative workflow synthesis in this setting: (i) workflow specialization conflict, where agents optimized for different task distributions generate incompatible communication patterns that resist meaningful aggregation, and (ii) structural communication shift, where locally optimal agent interaction graphs fail to compose into globally coherent multi-agent workflows. To address these challenges, we propose DAWN, a federated framework that integrates two key innovations: Parametric Resonance, which robustly aggregates heterogeneous local updates via layer-wise SVD-based denoising and alignment, and Structural Gravity, which regularizes local workflow generation by penalizing the Fusion Gromov-Wasserstein distance to a set of prototype communication graphs, ensuring global structural coherence without stifling local adaptation. Experiments on the DBS benchmark show that DAWN surpasses baselines in global task success and reduces inter-client graph divergence, laying a solid foundation for privacy-preserving, adaptive MAS workflow design in heterogeneous settings.

LLM-based multi-agent systems exhibit strong collaborative capabilities but often suffer from redundant communication and excessive token overhead. Existing methods typically enhance efficiency through pretrained GNNs or greedy algorithms, but often isolate pre- and post-task optimization, lacking a unified strategy. To this end, we present SafeSieve, a progressive and adaptive multi-agent pruning algorithm that dynamically refines the inter-agent communication through a novel dual-mechanism. SafeSieve integrates initial LLM-based semantic evaluation with accumulated performance feedback, enabling a smooth transition from heuristic initialization to experience-driven refinement. Unlike existing greedy Top-k pruning methods, SafeSieve employs 0-extension clustering to preserve structurally coherent agent groups while eliminating ineffective links. Experiments across benchmarks (SVAMP, HumanEval, etc.) showcase that SafeSieve achieves 94.01% average accuracy while reducing token usage by 12.4%-27.8%. Results further demonstrate robustness under prompt injection attacks (1.23% average accuracy drop). In heterogeneous settings, SafeSieve reduces deployment costs by 13.3% while maintaining performance. These results establish SafeSieve as an efficient, GPU-free, and scalable framework for practical multi-agent systems. Our code can be found below.

Bohan Lin, Kuo Yang, Zelin Tan, Yingchuan Lai, Chen Zhang, Guibin Zhang, Xinlei Yu, Miao Yu, Xu Wang, Yudong Zhang, Yang Wang. Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2026.

Zelin Tan, Hejia Geng, Xiaohang Yu, Mulei Zhang, Guancheng Wan, Yifan Zhou, Qiang He, Xiangyuan Xue, Heng Zhou, Yutao Fan, Zhong-Zhi Li, Zaibin Zhang, Guibin Zhang, Chen Zhang, Zhenfei Yin, Philip Torr, Lei Bai. Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2026.

Guibin Zhang, Haiyang Yu, Kaiming Yang, Bingli Wu, Fei Huang, Yongbin Li, Shuicheng Yan. Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2026.

Graph Neural Networks (GNNs) demonstrate superior performance in various graph learning tasks, yet their wider real-world application is hindered by the computational overhead when applied to large-scale graphs. To address the issue, the Graph Lottery Hypothesis (GLT) has been proposed, advocating the identification of subgraphs and subnetworks, i.e., winning tickets, without compromising performance. The effectiveness of current GLT methods largely stems from the use of iterative magnitude pruning (IMP), which offers greater stability and better performance than one-shot pruning. However, identifying GLTs is highly computationally expensive, due to the iterative pruning and retraining required by IMP. In this paper, we reevaluate the correlation between one-shot pruning and IMP: while one-shot tickets are suboptimal compared to IMP, they offer a fast track to tickets with a stronger performance. We introduce a one-shot pruning and denoising framework to validate the efficacy of the fast track. Compared to current IMP-based GLT methods, our framework achieves a double-win situation of graph lottery tickets with higher sparsity and faster speeds. Through extensive experiments across 4 backbones and 6 datasets, our method demonstrates a 1.32%-45.62% improvement in weight sparsity and a 7.49%-22.71% increase in graph sparsity, along with a 1.7-44× speedup over IMP-based methods and 95.3%-98.6% MAC savings.

Large Language Model (LLM)-based Multi-agent Systems (MAS) have demonstrated remarkable capabilities in various complex tasks, ranging from collaborative problem-solving to autonomous decision-making. However, as these systems become increasingly integrated into critical applications, their vulnerability to adversarial attacks, misinformation propagation, and unintended behaviors have raised significant concerns. To address this challenge, we introduce G-Safeguard, a topology-guided security lens and treatment for robust LLM-MAS, which leverages graph neural networks to detect anomalies on the multi-agent utterance graph and employ topological intervention for attack remediation. Extensive experiments demonstrate that G-Safeguard: (I) exhibits significant effectiveness under various attack strategies, recovering over 40% of the performance for prompt injection; (II) is highly adaptable to diverse LLM backbones and large-scale MAS; (III) can seamlessly combine with mainstream MAS with security guarantees.

Yanwei Yue, Guibin Zhang, Boyang Liu, Guancheng Wan, Kun Wang, Dawei Cheng, Yiyan Qi. Proceedings of the 63rd Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2025.

Federated Graph Learning (FGL) has emerged as a solution to address real-world privacy concerns and data silos in graph learning, which relies on Graph Neural Networks (GNNs). Nevertheless, the homophily level discrepancies within the local graph data of clients, termed homophily heterogeneity, significantly degrade the generalizability of a global GNN. Existing research ignores this issue and suffers from unpromising collaboration. In this paper, we propose FedSPA, an effective framework that addresses homophily heterogeneity from the perspectives of homophily conflict and homophily bias. In the first place, the homophily conflict arises when training on inconsistent homophily levels across clients. Correspondingly, we propose Subgraph Feature Propagation Decoupling (SFPD), thereby achieving collaboration on unified homophily levels across clients. To further address homophily bias, we design Homophily Bias-Driven Aggregation (HBDA) which emphasizes clients with lower biases. It enables the adaptive adjustment of each client contribution to the global GNN based on its homophily bias. The superiority of FedSPA is validated through extensive experiments. The code is available at https://github.com/OakleyTan/FedSPA.

Federated Graph Learning is rapidly evolving as a privacy-preserving collaborative approach. However, backdoor attacks are increasingly undermining federated systems by injecting carefully designed triggers that lead to the model making incorrect predictions. Trigger structures and injection locations in Federated Graph Learning are more diverse, making traditional federated defense methods less effective. In our work, we propose an effective Federated Graph Backdoor Defense using Topological Graph Energy (FedTGE). At the local client level, it injects distribution knowledge into the local model, assigning low energy to benign samples and high energy to the constructed malicious substitutes, and selects benign clients through clustering. At the global server level, the energy elements uploaded by each client are treated as new nodes to construct a global energy graph for energy propagation, making the selected clients' energy elements more similar and further adjusting the aggregation weights. Our method can handle high data heterogeneity, does not require a validation dataset, and is effective under both small and large malicious proportions. Extensive results on various settings of federated graph scenarios under backdoor attacks validate the effectiveness of this approach.

Graph data augmentation (GDA) has shown significant promise in enhancing the performance, generalization, and robustness of graph neural networks (GNNs). However, contemporary methodologies are often limited to static graphs, whose applicability on dynamic graphs—more prevalent in real-world applications—remains unexamined. In this paper, we empirically highlight the challenges faced by static GDA methods when applied to dynamic graphs, particularly their inability to maintain temporal consistency. In light of this limitation, we propose a dedicated augmentation framework for dynamic graphs, termed $\texttt{DyAug}$, which adaptively augments the evolving graph structure with temporal consistency awareness. Specifically, we introduce the paradigm of graph rationalization for dynamic GNNs, progressively distinguishing between causal subgraphs (\textit{rationale}) and the non-causal complement (\textit{environment}) across snapshots. We develop three types of environment replacement, including, spatial, temporal, and spatial-temporal, to facilitate data augmentation in the latent representation space, thereby improving the performance, generalization, and robustness of dynamic GNNs. Extensive experiments on six benchmarks and three GNN backbones demonstrate that $\texttt{DyAug}$ can \textbf{(I)} improve the performance of dynamic GNNs by $0.89\\%\sim3.13\\%\uparrow$; \textbf{(II)} effectively counter targeted and non-targeted adversarial attacks with $6.2\\%\sim12.2\\%\\uparrow$ performance boost; \textbf{(III)} make stable predictions under temporal distribution shifts.

Graph Neural Networks (GNNs) have demonstrated superior performance across various graph learning tasks but face significant computational challenges when applied to large-scale graphs. One effective approach to mitigate these challenges is graph sparsification, which involves removing non-essential edges to reduce computational overhead. However, previous graph sparsification methods often rely on a single global sparsity setting and uniform pruning criteria, failing to provide customized sparsification schemes for each node's complex local context. In this paper, we introduce Mixture-of-Graphs (MoG), leveraging the concept of Mixture-of-Experts (MoE), to dynamically select tailored pruning solutions for each node. Specifically, MoG incorporates multiple sparsifier experts, each characterized by unique sparsity levels and pruning criteria, and selects the appropriate experts for each node. Subsequently, MoG performs a mixture of the sparse graphs produced by different experts on the Grassmann manifold to derive an optimal sparse graph. One notable property of MoG is its entirely local nature, as it depends on the specific circumstances of each individual node. Extensive experiments on four large-scale OGB datasets and two superpixel datasets, equipped with five GNN backbones, demonstrate that MoG (I) identifies subgraphs at higher sparsity levels ($8.67\\%\sim 50.85\\%$), with performance equal to or better than the dense graph, (II) achieves $1.47-2.62\times$ speedup in GNN inference with negligible performance drop, and (III) boosts ``top-student'' GNN performance ($1.02\\%\uparrow$ on RevGNN+\textsc{ogbn-proteins} and $1.74\\%\\uparrow$ on DeeperGCN+\textsc{ogbg-ppa}). The source code is available at \url{https://github.com/yanweiyue/MoG}.

Recent advancements in large language model (LLM)-powered agents have shown that collective intelligence can significantly outperform individual capabilities, largely attributed to the meticulously designed inter-agent communication topologies. Though impressive in performance, existing multi-agent pipelines inherently introduce substantial token overhead, as well as increased economic costs, which pose challenges for their large-scale deployments. In response to this challenge, we propose an economical, simple, and robust multi-agent communication framework, termed $\texttt{AgentPrune}$, which can seamlessly integrate into mainstream multi-agent systems and prunes redundant or even malicious communication messages. Technically, $\texttt{AgentPrune}$ is the first to identify and formally define the $\textit{Communication Redundancy}$ issue present in current LLM-based multi-agent pipelines, and efficiently performs one-shot pruning on the spatial-temporal message-passing graph, yielding a token-economic and high-performing communication topology. Extensive experiments across six benchmarks demonstrate that $\texttt{AgentPrune}$ $\textbf{(I)}$ achieves comparable results as state-of-the-art topologies at merely $\\$5.6$ cost compared to their $\\$43.7$, $\textbf{(II)}$ integrates seamlessly into existing multi-agent frameworks with $28.1\\%\sim72.8\\%\downarrow$ token reduction, and $\textbf{(III)}$ successfully defend against two types of agent-based adversarial attacks with $3.5\\%\sim10.8\\%\uparrow$ performance boost. The source code is available at \url{https://github.com/yanweiyue/AgentPrune}.

Time series forecasting methods generally fall into two main categories: Channel Independent (CI) and Channel Dependent (CD) strategies. While CI overlooks important covariate relationships, CD captures all dependencies without distinction, introducing noise and reducing generalization. Recent advances in Channel Clustering (CC) aim to refine dependency modeling by grouping channels with similar characteristics and applying tailored modeling techniques. However, coarse-grained clustering struggles to capture complex, time-varying interactions effectively. To address these challenges, we propose TimeFilter, a GNN-based framework for adaptive and fine-grained dependency modeling. After constructing the graph from the input sequence, TimeFilter refines the learned spatial-temporal dependencies by filtering out irrelevant correlations while preserving the most critical ones in a patch-specific manner. Extensive experiments on 13 real-world datasets from diverse application domains demonstrate the state-of-the-art performance of TimeFilter. The code is available at https://github.com/TROUBADOUR000/TimeFilter.

Federated Graph Learning (FGL) proposes an effective approach to collaboratively training Graph Neural Networks (GNNs) while maintaining privacy. Nevertheless, communication efficiency becomes a critical bottleneck in environments with limited resources. In this context, one-shot FGL emerges as a promising solution by restricting communication to a single round. However, prevailing FGL methods face two key challenges in the one-shot setting: 1) They heavily rely on gradual personalized optimization over multiple rounds, undermining the capability of the global model to efficiently generalize across diverse graph structures. 2) They are prone to overfitting to local data distributions due to extreme structural bias, leading to catastrophic forgetting. To address these issues, we introduce **GHOST**, an innovative one-shot FGL framework. In GHOST, we establish a proxy model for each client to leverage diverse local knowledge and integrate it to train the global model. During training, we identify and consolidate parameters essential for capturing topological knowledge, thereby mitigating catastrophic forgetting. Extensive experiments on real-world tasks demonstrate the superiority and generalization capability of GHOST. The code is available at https://github.com/JiaruQian/GHOST.

Federated Graph Learning (FGL) has gained significant attention as a privacy-preserving approach to collaborative learning, but the computational demands increase substantially as datasets grow and Graph Neural Network (GNN) layers deepen. To address these challenges, we propose $\textbf{EAGLES}$, a unified sparsification framework. EAGLES applies client-consensus parameter sparsification to generate multiple unbiased subnetworks at varying sparsity levels, reducing the need for iterative adjustments and mitigating performance degradation. In the graph structure domain, we introduced a dual-expert approach: a $\textit{graph sparsification expert}$ uses multi-criteria node-level sparsification, and a $\textit{graph synergy expert}$ integrates contextual node information to produce optimal sparse subgraphs. Furthermore, the framework introduces a novel distance metric that leverages node contextual information to measure structural similarity among clients, fostering effective knowledge sharing. We also introduce the $\textbf{Harmony Sparsification Principle}$, EAGLES balances model performance with lightweight graph and model structures. Extensive experiments demonstrate its superiority, achieving competitive performance on various datasets, such as reducing training FLOPS by 82\% $\downarrow$ and communication costs by 80\% $\downarrow$ on the ogbn-proteins dataset, while maintaining high performance.

Large Language Model (LLM)-empowered multi-agent systems extend the cognitive boundaries of individual agents through disciplined collaboration and interaction, while constructing these systems often requires labor-intensive manual designs. Despite the availability of methods to automate the design of agentic workflows, they typically seek to identify a static, complex, one-size-fits-all system, which, however, fails to dynamically allocate inference resources based on the difficulty and domain of each query. To address this challenge, we shift away from the pursuit of a monolithic agentic system, instead optimizing the \textbf{agentic supernet}, a probabilistic and continuous distribution of agentic architectures. We introduce \textbf{MaAS}, an automated framework that samples query-dependent agentic systems from the supernet, delivering high-quality solutions and tailored resource allocation (\textit{e.g.}, LLM calls, tool calls, token cost). Comprehensive evaluation across six benchmarks demonstrates that MaAS \textbf{(I)} requires only $6\\sim45\\%$ of the inference costs of existing handcrafted or automated multi-agent systems, \textbf{(II)} surpasses them by $0.54\\%\sim11.82\\%$, and \textbf{(III)} enjoys superior cross-dataset and cross-LLM-backbone transferability.

Recent advancements in large language model (LLM)-based agents have demonstrated that collective intelligence can significantly surpass the capabilities of individual agents, primarily due to well-crafted inter-agent communication topologies. Despite the diverse and high-performing designs available, practitioners often face confusion when selecting the most effective pipeline for their specific task: Which topology is the best choice for my task, avoiding unnecessary communication token overhead while ensuring high-quality solution? In response to this dilemma, we introduce G-Designer, an adaptive, efficient, and robust solution for multi-agent deployment, which dynamically designs task-aware, customized communication topologies. Specifically, G-Designer models the multi-agent system as a multi-agent network, leveraging a variational graph auto-encoder to encode both the nodes (agents) and a task-specific virtual node, and decodes a task-adaptive and high-performing communication topology. Extensive experiments on six benchmarks showcase that G-Designer is: (1) high-performing, achieving superior results on MMLU with accuracy at $84.50\%$ and on HumanEval with pass@1 at $89.90\%$; \textbf{(2) task-adaptive}, architecting communication protocols tailored to task difficulty, reducing token consumption by up to $95.33\%$ on HumanEval; and \textbf{(3) adversarially robust}, defending against agent adversarial attacks with merely $0.3\%$ accuracy drop.

The ever-increasing sensor service, though opening a precious path and providing a deluge of earth system data for deep-learning-oriented earth science, sadly introduce a daunting obstacle to their industrial level deployment. Concretely, earth science systems rely heavily on the extensive deployment of sensors, however, the data collection from sensors is constrained by complex geographical and social factors, making it challenging to achieve comprehensive coverage and uniform deployment. To alleviate the obstacle, traditional approaches to sensor deployment utilize specific algorithms to design and deploy sensors. These methods dynamically adjust the activation times of sensors to optimize the detection process across each sub-region. Regrettably, formulating an activation strategy generally based on historical observations and geographic characteristics, which make the methods and resultant models were neither simple nor practical. Worse still, the complex technical design may ultimately lead to a model with weak generalizability. In this paper, we introduce for the first time the concept of spatio-temporal data dynamic sparse training and are committed to adaptively, dynamically filtering important sensor distributions. To our knowledge, this is the first proposal (termed DynST) of an industry-level deployment optimization concept at the data level. However, due to the existence of the temporal dimension, pruning of spatio-temporal data may lead to conflicts at different timestamps. To achieve this goal, we employ dynamic merge technology, along with ingenious dimensional mapping to mitigate potential impacts caused by the temporal aspect. During the training process, DynST utilize iterative pruning and sparse training, repeatedly identifying and dynamically removing sensor perception areas that contribute the least to future predictions.

We present Pask, a proactive AI agent that provides real-time, context-aware guidance and knowledge support in audio-centric media environments. Unlike passive assistants that follow the ''you ask, I answer'' model, Pask shifts toward ''answering before asking'' by continuously monitoring live audio, anticipating user needs, and proactively offering conceptual explanations and semantic clarifications. It integrates three core components: a silent copilot for in-situ explanation, a structured knowledge base for factual grounding, and a private memory module for personalized adaptation. Pask enhances comprehension and communication in scenarios such as online learning, media consumption, and live meetings through sustained, intelligent guidance. A live demo is available at https://www.youtube.com/watch?v=ki_CKiV9Oyk.

Despite the rapid advancement of LLM-based agents, the reliable evaluation of their safety and security remains a significant challenge. Existing rule-based or LLM-based evaluators often miss dangers in agents' step-by-step actions, overlook subtle meanings, fail to see how small issues compound, and get confused by unclear safety or security rules. To overcome this evaluation crisis, we introduce AgentAuditor, a universal, training-free, memory-augmented reasoning framework that empowers LLM evaluators to emulate human expert evaluators. AgentAuditor constructs an experiential memory by having an LLM adaptively extract structured semantic features (e.g., scenario, risk, behavior) and generate associated chain-of-thought reasoning traces for past interactions. A multi-stage, context-aware retrieval-augmented generation process then dynamically retrieves the most relevant reasoning experiences to guide the LLM evaluator's assessment of new cases. Moreover, we developed ASSEBench, the first benchmark designed to check how well LLM-based evaluators can spot both safety risks and security threats. ASSEBench comprises 2293 meticulously annotated interaction records, covering 15 risk types across 29 application scenarios. A key feature of ASSEBench is its nuanced approach to ambiguous risk situations, employing "Strict" and "Lenient" judgment standards. Experiments demonstrate that AgentAuditor not only consistently improves the evaluation performance of LLMs across all benchmarks but also sets a new state-of-the-art in LLM-as-a-judge for agent safety and security, achieving human-level accuracy. Our work is openly accessible at https://github.com/Astarojth/AgentAuditor-ASSEBench.

Federated Graph Learning (FGL) has been shown to be particularly effective in enabling collaborative training of Graph Neural Networks (GNNs) in decentralized settings. Model-heterogeneous FGL further enhances practical applicability by accommodating client preferences for diverse model architectures. However, existing model-heterogeneous approaches primarily target Euclidean data and fail to account for a crucial aspect of graph-structured data: topological relationships. To address this limitation, we propose **TRUST**, a novel knowledge distillation-based **model-heterogeneous FGL** framework. Specifically, we propose Progressive Curriculum Node Scheduler to progressively introduce challenging nodes based on learning difficulty. In Adaptive Curriculum Distillation Modulator, we propose an adaptive temperature modulator that dynamically adjusts knowledge distillation temperature to accommodate varying client capabilities and graph complexity. Moreover, we leverage Wasserstein‑Driven Affinity Distillation to enable models to capture cross-class structural relationships through optimal transport. Extensive experiments on multiple graph benchmarks and model-heterogeneous settings show that **TRUST** outperforms existing methods, achieving an average 3.6\% $\uparrow$ performance gain, particularly under moderate heterogeneity conditions. The code is available for anonymous access at https://anonymous.4open.science/r/TRUST-NeurIPS2025.

Federated Graph Learning (FGL) offers a promising framework for collaboratively training Graph Neural Networks (GNNs) while preserving data privacy. In resource-constrained environments, One-shot Federated Learning (OFL) emerges as an effective solution by limiting communication to a single round. Current OFL approaches employing generative models have attracted considerable attention; however, they face unresolved challenges: these methods are primarily designed for traditional image data and fail to capture the fine-grained structural information of local graph data. Consequently, they struggle to integrate the intricate correlations necessary and transfer subtle structural insights from each client to the global model. To address these issues, we introduce **OASIS**, an innovative one-shot FGL framework. In OASIS, we propose a Synergy Graph Synthesizer designed to generate informative synthetic graphs and introduce a Topological Codebook to construct a structural latent space. Moreover, we propose the Wasserstein-Enhanced Semantic Affinity Distillation (WESAD) to incorporate rich inter-class relationships and the Wasserstein-Driven Structural Relation Distillation (WDSRD) to facilitate the effective transfer of structural knowledge from the Topological Codebook. Extensive experiments on real-world tasks demonstrate the superior performance and generalization capability of OASIS. The code is available for anonymous access at https://anonymous.4open.science/r/OASIS-NeurIPS25.

Graph neural networks (GNNs) have achieved remarkable success in various domains but typically rely on centralized, static graphs, which limits their applicability in distributed, evolving environments. To address this limitation, we define the task of Federated Continual Graph Learning (FCGL), a paradigm for incremental learning on dynamic graphs distributed across decentralized clients. Existing methods, however, neither preserve graph topology during task transitions nor mitigate parameter conflicts in server‐side aggregation. To overcome these challenges, we introduce **MOTION**, a generalizable FCGL framework that integrates two complementary modules: the Graph Topology‐preserving Multi‐Sculpt Coarsening (G‐TMSC) module, which maintains the structural integrity of past graphs through a multi‐expert, similarity‐guided fusion process, and the Graph‐Aware Evolving Parameter Adaptive Engine (G‐EPAE) module, which refines global model updates by leveraging a topology‐sensitive compatibility matrix. Extensive experiments on real‐world datasets show that our approach improves average accuracy (AA) by an average of 30\% $\uparrow$ over the FedAvg baseline across five datasets while maintaining a negative $\downarrow$ average forgetting (AF) rate, significantly enhancing generalization and robustness under FCGL settings. The code is available for anonymous access at https://anonymous.4open.science/r/MOTION.

Robust Federated Graph Learning (FGL) provides an effective decentralized framework for training Graph Neural Networks (GNNs) in noisy-label environments. However, the subtlety of noise during training presents formidable obstacles for developing robust FGL systems. Previous robust FL approaches neither adequately constrain edge-mediated error propagation nor account for intra-class topological differences. At the client level, we innovatively demonstrate that hyperspherical embedding can effectively capture graph structures in a fine-grained manner. Correspondingly, our method effectively addresses the aforementioned issues through fine-grained hypersphere alignment. Moreover, we uncover undetected noise arising from localized perspective constraints and propose the geometric-aware hyperspherical purification module at the server level. Combining both level strategies, we present our robust FGL framework,**HYPERION**, which operates all components within a unified hyperspherical space. **HYPERION** demonstrates remarkable robustness across multiple datasets, for instance, achieving a 29.7\% $\uparrow$ F1-macro score with 50\%-pair noise on Cora. The code is available for anonymous access at \url{https://anonymous.4open.science/r/Hyperion-NeurIPS/}.

Time Series Imputation (TSI), which aims to recover missing values in temporal data, remains a fundamental challenge due to the complex and often high-rate missingness in real-world scenarios. Existing models typically optimize the point-wise reconstruction loss, focusing on recovering numerical values (local information). However, we observe that under high missing rates, these models still perform well in the training phase yet produce poor imputations and distorted latent representation distributions (global information) in the inference phase. This reveals a critical optimization dilemma: current objectives lack global guidance, leading models to overfit local noise and fail to capture global information of the data. To address this issue, we propose a new training paradigm, **Glocal** **I**nformation **B**ottleneck (**Glocal-IB**). Glocal-IB is model-agnostic and extends the standard IB framework by introducing a Global Alignment loss, derived from a tractable mutual information approximation. This loss aligns the latent representations of masked inputs with those of their originally observed counterparts. It helps the model retain global structure and local details while suppressing noise caused by missing values, giving rise to better generalization under high missingness. Extensive experiments on nine datasets confirm that Glocal-IB leads to consistently improved performance and aligned latent representations under missingness. Our code implementation is available in [https://github.com/Muyiiiii/NeurIPS-25-Glocal-IB](https://github.com/Muyiiiii/NeurIPS-25-Glocal-IB).

Large language model (LLM)-powered multi-agent systems (MAS) have demonstrated cognitive and execution capabilities that far exceed those of single LLM agents, yet their capacity for self-evolution remains hampered by underdeveloped memory architectures. Upon close inspection, we are alarmed to discover that prevailing MAS memory mechanisms (1) are overly simplistic, completely disregarding the nuanced inter-agent collaboration trajectories, and (2) lack cross-trial and agent-specific customization, in stark contrast to the expressive memory developed for single agents. To bridge this gap, we introduce G-Memory, a hierarchical, agentic memory system for MAS inspired by organizational memory theory, which manages the lengthy MAS interaction via a three-tier graph hierarchy: insight, query, and interaction graphs. Upon receiving a new user query, G-Memory performs bi-directional memory traversal to retrieve both \textit{high-level, generalizable insights} that enable the system to leverage cross-trial knowledge, and \textit{fine-grained, condensed interaction trajectories} that compactly encode prior collaboration experiences. Upon task execution, the entire hierarchy evolves by assimilating new collaborative trajectories, nurturing the progressive evolution of agent teams. Extensive experiments across five benchmarks, three LLM backbones, and three popular MAS frameworks demonstrate that G-Memory improves success rates in embodied action and accuracy in knowledge QA by up to $20.89\\%$ and $10.12\\%$, respectively, without any modifications to the original frameworks.

Credit card fraud is a severe issue that causes significant losses for both cardholders and issuing banks. Existing methods utilize machine learning-based classifiers to identify fraudulent transactions from labeled transaction records. However, labeled data are often scarce compared to the billions of real transactions due to the high cost of annotation, which means that previous methods do not fully utilize the rich features of unlabeled data. What’s more, contemporary methods succumb to a fallacy of unawareness of the local risk structure and the inability to capture certain risk patterns. Therefore, we propose the Risk-aware Gated Temporal Attention Network (RGTAN) for fraud detection in this work. Specifically, we first build a temporal transaction graph based on the transaction records, which consists of temporal transactions (nodes) and their interactions (edges). Then we leverage a Gated Temporal Graph Attention (GTGA) Mechanism to propagate messages among the nodes and learn adaptive representations of transactions. We also model the fraud patterns through risk propagation, taking advantage of the relations among transactions. More importantly, we devise a neighbor risk-aware representation learning layer to enhance our method’s perception of multi-hop risk structures. We conduct extensive experiments on a real-world credit card transaction dataset and two public fraud detection datasets. The results show that our proposed method, RGTAN, outperforms other state-of-the-art methods on three fraud detection datasets. The risk-aware semi-supervised experiments also demonstrate the excellent performance of our model with only a small fraction of manually labeled data. Moreover, RGTAN has been deployed in a world-leading credit card issuer for credit card fraud detection, and the case study results show the effectiveness of our method in uncovering real-world fraud patterns.

Spatio-temporal (ST) prediction plays a pivotal role in earth sciences, such as meteorological prediction, urban computing. Adequate high-quality data, coupled with deep models capable of inference, are both indispensable and prerequisite for achieving meaningful results. However, the sparsity of data and the high costs associated with deploying sensors lead to significant data imbalances. Models that are overly tailored and lack causal relationships further compromise the generalizabilities of inference methods. Towards this end, we first establish a causal concept for ST predictions, named NuwaDynamics, which targets to identify causal regions in data and endow model with causal reasoning ability in a two-stage process. Concretely, we initially leverage upstream self-supervision to discern causal important patches, imbuing the model with generalized information and conducting informed interventions on complementary trivial patches to extrapolate potential test distributions. This phase is referred to as the discovery step. Advancing beyond discovery step, we transfer the data to downstream tasks for targeted ST objectives, aiding the model in recognizing a broader potential distribution and fostering its causal perceptual capabilities (refer as Update step). Our concept aligns seamlessly with the contemporary backdoor adjustment mechanism in causality theory. Extensive experiments on six real-world ST benchmarks showcase that models can gain outcomes upon the integration of the NuwaDynamics concept. NuwaDynamics also can significantly benefit a wide range of changeable ST tasks like extreme weather and long temporal step super-resolution predictions.

Graph Neural Networks (GNNs) have emerged as the leading deep learning models for graph-based representation learning. However, the training and inference of GNNs on large graphs remain resource-intensive, impeding their utility in real-world scenarios and curtailing their applicability in deeper and more sophisticated GNN architectures. To address this issue, the Graph Lottery Ticket (GLT) hypothesis assumes that GNN with random initialization harbors a pair of core subgraph and sparse subnetwork, which can yield comparable performance and higher efficiency to that of the original dense network and complete graph. Despite that GLT offers a new paradigm for GNN training and inference, existing GLT algorithms heavily rely on trial-and-error pruning rate tuning and scheduling, and adhere to an irreversible pruning paradigm that lacks elasticity. Worse still, current methods suffer scalability issues when applied to deep GNNs, as they maintain the same topology structure across all layers. These challenges hinder the integration of GLT into deeper and larger-scale GNN contexts. To bridge this critical gap, this paper introduces an $\textbf{A}$daptive, $\textbf{D}$ynamic, and $\textbf{A}$utomated framework for identifying $\textbf{G}$raph $\textbf{L}$ottery $\textbf{T}$ickets ($\textbf{AdaGLT}$). Our proposed method derives its key advantages and addresses the above limitations through the following three aspects: 1) tailoring layer-adaptive sparse structures for various datasets and GNNs, thus endowing it with the capability to facilitate deeper GNNs; 2) integrating the pruning and training processes, thereby achieving a dynamic workflow encompassing both pruning and restoration; 3) automatically capturing graph lottery tickets across diverse sparsity levels, obviating the necessity for extensive pruning parameter tuning. More importantly, we rigorously provide theoretical proofs to guarantee $\textbf{AdaGLT}$ to mitigate over-smoothing issues and obtain improved sparse structures in deep GNN scenarios. Extensive experiments demonstrate that $\textbf{AdaGLT}$ outperforms state-of-the-art competitors across multiple graph datasets of various scales and types, particularly in scenarios involving deep GNNs.

Graph Neural Networks (GNNs) excel in various graph learning tasks but face computational challenges when applied to large-scale graphs. A promising solution is to remove non-essential edges to reduce the computational overheads in GNN. Previous literature generally falls into two categories: topology-guided and semantic-guided. The former maintains certain graph topological properties yet often underperforms on GNNs. % due to low integration with neural network training. The latter performs well at lower sparsity on GNNs but faces performance collapse at higher sparsity levels. With this in mind, we propose a new research line and concept termed **Graph Sparse Training** **(GST)**, which dynamically manipulates sparsity at the data level. Specifically, GST initially constructs a topology & semantic anchor at a low training cost, followed by performing dynamic sparse training to align the sparse graph with the anchor. We introduce the **Equilibria Sparsification Principle** to guide this process, balancing the preservation of both topological and semantic information. Ultimately, GST produces a sparse graph with maximum topological integrity and no performance degradation. Extensive experiments on 6 datasets and 5 backbones showcase that GST **(I)** identifies subgraphs at higher graph sparsity levels ($1.67\%\sim15.85\%$$\uparrow$) than state-of-the-art sparsification methods, **(II)** preserves more key spectral properties, **(III)** achieves $1.27-3.42\times$ speedup in GNN inference and **(IV)** successfully helps graph adversarial defense and graph lottery tickets.

Despite Graph Neural Networks (GNNs) demonstrating considerable promise in graph representation learning tasks, GNNs predominantly face significant issues with overfitting and over-smoothing as they go deeper as models of computer vision (CV) realm.The success of artificial intelligence in computer vision and natural language processing largely stems from its ability to train deep models effectively.We have thus conducted a systematic study on deep GNN models.Our findings indicate that the current success of deep GNNs primarily stems from (I) the adoption of innovations from CNNs, such as residual/skip connections, or (II) the tailor-made aggregation algorithms like DropEdge.However, these algorithms often lack intrinsic interpretability and indiscriminately treat all nodes within a given layer in a similar manner, thereby failing to capture the nuanced differences among various nodes.In this paper, we introduce the Snowflake Hypothesis -a novel paradigm underpinning the concept of "one node, one receptive field".The hypothesis draws inspiration from the unique and individualistic patterns of * Contribute equally to this research.

Graph Neural Networks (GNNs) have become pivotal tools for a range of graph-based learning tasks.Notably, most current GNN architectures operate under the assumption of homophily, whether explicitly or implicitly.While this underlying assumption is frequently adopted, it is not universally applicable, which can result in potential shortcomings in learning effectiveness.In this paper, for the first time, we transfer the prevailing concept of "one node one receptive field" to the heterophilic graph.By constructing a proxy label predictor, we enable each node to possess a latent prediction distribution, which assists connected nodes in determining whether they should aggregate their associated neighbors.Ultimately, every node can have its own unique aggregation hop and pattern, much like each snowflake is unique and possesses its own characteristics.Based on observations, we innovatively introduce the Heterophily Snowflake Hypothesis and provide an effective solution to guide and facilitate research on heterophilic graphs and beyond.We conduct comprehensive experiments including (1) main results on 10 graphs with varying heterophily ratios across 10 backbones; (2) scalability on various deep GNN backbones (SGC, JKNet, etc.) across various large number of layers (2,4,6,8,16,32 layers); (3) comparison with conventional snowflake hypothesis; (4) efficiency comparison with existing graph pruning algorithms.

With the emergence of various molecular tasks and massive datasets, how to perform efficient training has become an urgent yet under-explored issue in the area. Data pruning (DP), as an oft-stated approach to saving training burdens, filters out less influential samples to form a coreset for training. However, the increasing reliance on pretrained models for molecular tasks renders traditional in-domain DP methods incompatible. Therefore, we propose a **Mol**ecular data **P**runing framework for **e**nhanced **G**eneralization (**MolPeg**), which focuses on the source-free data pruning scenario, where data pruning is applied with pretrained models. By maintaining two models with different updating paces during training, we introduce a novel scoring function to measure the informativeness of samples based on the loss discrepancy. As a plug-and-play framework, MolPeg realizes the perception of both source and target domain and consistently outperforms existing DP methods across four downstream tasks. Remarkably, it can surpass the performance obtained from full-dataset training, even when pruning up to 60-70% of the data on HIV and PCBA dataset. Our work suggests that the discovery of effective data-pruning metrics could provide a viable path to both enhanced efficiency and superior generalization in transfer learning.

Training high-quality deep models necessitates vast amounts of data, resulting in overwhelming computational and memory demands. Recently, data pruning, distillation, and coreset selection have been developed to streamline data volume by \textit{retaining}, \textit{synthesizing}, or \textit{selecting} a small yet informative subset from the full set. Among these methods, data pruning incurs the least additional training cost and offers the most practical acceleration benefits. However, it is the most vulnerable, often suffering significant performance degradation with imbalanced or biased data schema, thus raising concerns about its accuracy and reliability in on-device deployment. Therefore, there is a looming need for a new data pruning paradigm that maintains the efficiency of previous practices while ensuring balance and robustness. Unlike the fields of computer vision and natural language processing, where mature solutions have been developed to address these issues, graph neural networks (GNNs) continue to struggle with increasingly large-scale, imbalanced, and noisy datasets, lacking a unified dataset pruning solution. To achieve this, we introduce a novel dynamic soft-pruning method, \ourmethod, designed to update the training ``basket'' during the process using trainable prototypes. \ourmethod first constructs a well-modeled graph embedding hypersphere and then samples \textit{representative, balanced, and unbiased subsets} from this embedding space, which achieves the goal we called {\fontfamily{lmtt}\selectfont \textbf{Graph Training Debugging}}. Extensive experiments on four datasets across three GNN backbones, demonstrate that \ourmethod (I) achieves or surpasses the performance of the full dataset with $30\%\sim50\%$ fewer training samples, (II) attains up to a $2.81\times$ lossless training speedup, and (III) outperforms state-of-the-art pruning methods in imbalanced training and noisy training scenarios by $0.3\%\sim4.3\%$ and $3.6\%\sim7.8\%$, respectively.

Graph representation learning on vast datasets, like web data, has made significant strides. However, the associated computational and storage overheads raise concerns. In sight of this, Graph condensation (GCond) has been introduced to distill these large real datasets into a more concise yet information-rich synthetic graph. Despite acceleration efforts, existing GCond methods mainly grapple with efficiency, especially on expansive web data graphs. Hence, in this work, we pinpoint two major inefficiencies of current paradigms: (1) the concurrent updating of a vast parameter set, and (2) pronounced parameter redundancy. To counteract these two limitations correspondingly, we first (1) employ the Mean-Field variational approximation for convergence acceleration, and then (2) propose the objective of Gradient Information Bottleneck (GDIB) to prune redundancy. By incorporating the leading explanation techniques (e.g., GNNExplainer and GSAT) to instantiate the GDIB, our EXGC, the Efficient and eXplainable Graph Condensation method is proposed, which can markedly boost efficiency and inject explainability. Our extensive evaluations across eight datasets underscore EXGC's superiority and relevance. Code is available at https://github.com/MangoKiller/EXGC.

In this paper, we address the issue of modeling and estimating changes in the state of the spatio-temporal dynamical systems based on a sequence of observations like video frames. Traditional numerical simulation systems depend largely on the initial settings and correctness of the constructed partial differential equations (PDEs). Despite recent efforts yielding significant success in discovering data-driven PDEs with neural networks, the limitations posed by singular scenarios and the absence of local insights prevent them from performing effectively in a broader real-world context. To this end, this paper propose the universal expert module – that is, optical flow estimation component, to capture the evolution laws of general physical processes in a data-driven fashion. To enhance local insight, we painstakingly design a finer-grained physical pipeline, since local characteristics may be influenced by various internal contextual information, which may contradict the macroscopic properties of the whole system. Further, we harness currently popular neural discrete learning to unveil the underlying important features in its latent space, this process better injects interpretability, which can help us obtain a powerful prior over these discrete random variables. We conduct extensive experiments and ablations to demonstrate that the proposed framework achieves large performance margins, compared with the existing SOTA baselines.

Noise present in real gravity data can lead to inaccurate inversion results. Multi-task strategy in deep learning provides a promising method to solve this problem. In this study, a multi-task framework is proposed for simultaneous inversion and denoising of noisy gravity data, in which the denoising task can constrain the inversion task. To extract multi-scale field information for high precision inversion, a novel backbone network, known as the cross-dimensional UNet (CDUNet), is proposed. CDUNet employs cross-dimensional skip-connections to transfer different scale field features, wherein transformation modules are used to convert two dimensional (2D) features extracted from gravity data to 3D features for density model reconstruction. A noisy dataset was synthesized to train the network, which comprised diverse density models having highly random geometric and physical characteristics. The test set evaluations showed that CDUNet and the multi-task framework could integrate well and the inversion accuracy of the network could reach 70.8% over the density perturbation area and 97% over the entire area. The synthetic examples showed that the inverted models characterized by distinct boundaries and relatively accurate values. Finally, the method was validated using real data from the Vinton salt dome in Texas and Louisiana, USA.

Three-dimensional (3-D) gravity inversion obtains the density distribution of subsurface geological bodies through observed gravity anomalies. Recently, data-driven methods based on deep neural networks (DNNs) have received considerable attention for geophysical inverse problems. They proved to be superior to physics-driven methods that suffer from nonuniqueness issues and high computational costs. Several deep-learning inversion strategies have been developed for geophysical modeling and are mainly applicable for two-dimensional (2-D) subsurface imaging. Despite their effectiveness, deep-learning inversions suffer from appropriate generalization to new case scenarios. In this study, a novel 3-D gravity inversion method based on encoder–decoder neural networks is proposed. The network has a gravity field encoder for 2-D gravity field feature extraction, a dimension transformation module for feature space transformation, and a density structure decoder for 3-D density structure reconstruction. A highly random dataset is constructed to enlarge the feature distribution space of the samples and perform hyper-parameter experiments to improve the accuracy and generalisability of the network. Numerical examples using synthetic gravity data show that the accuracy of the network can reach 97% in the entire area and 81.5% in the area of density structures while reducing the computational time by 20 times. In the experiments on real data of the Vinton salt dome, the results are in good agreement with the known geological information. Our method significantly improves the inversion accuracy and generalisability of 3-D gravity inversion and can be applied in real case scenarios with less computational time.