Junwei Su

Jingqi Zhou, Sheng Wang, Dezhao Deng et al.

LLM-powered agentic systems excel at complex long-horizon tasks, but remain constrained by static configurations fixed before execution. Such rigidity forces a trade-off between domain-specific performance and cross-task generalization: strong priors and compact tool spaces aid specialization but weaken transfer, while task-agnostic workflows and broad action spaces expand coverage but dilute guidance. Existing pre-execution optimization, planner-worker orchestration, and configuration patching fall short of resolving this tension, as they decouple adaptation from execution, causing information loss, fragmented optimization, and ambiguous credit assignment. We propose ToolSelf, a tool-driven runtime self-reconfiguration paradigm that abstracts configuration updates as a standardized tool interface and unifies execution and adaptation within one policy's action space. The execution agent can dynamically update sub-goals, strategies, toolboxes, context, and context-management modes based on task progress and feedback. We further introduce Configuration-Aware Two-stage Training (CAT), which combines rejection sampling fine-tuning with trajectory-level KTO reinforcement learning to internalize self-reconfiguration. Across diverse benchmarks, zero-shot ToolSelf rivals task-specialized agents; after CAT training, ToolSelf gains 28.8 points over the static-configuration baseline on average, illuminating a path toward emergent adaptivity that obviates manually injected guidance.

Junwei Su, Difan Zou, Chuan Wu

Continual learning seeks to empower models to progressively acquire information from a sequence of tasks. This approach is crucial for many real-world systems, which are dynamic and evolve over time. Recent research has witnessed a surge in the exploration of Graph Neural Networks (GNN) in Node-wise Graph Continual Learning (NGCL), a practical yet challenging paradigm involving the continual training of a GNN on node-related tasks. Despite recent advancements in continual learning strategies for GNNs in NGCL, a thorough theoretical understanding, especially regarding its learnability, is lacking. Learnability concerns the existence of a learning algorithm that can produce a good candidate model from the hypothesis/weight space, which is crucial for model selection in NGCL development. This paper introduces the first theoretical exploration of the learnability of GNN in NGCL, revealing that learnability is heavily influenced by structural shifts due to the interconnected nature of graph data. Specifically, GNNs may not be viable for NGCL under significant structural changes, emphasizing the need to manage structural shifts. To mitigate the impact of structural shifts, we propose a novel experience replay method termed Structure-Evolution-Aware Experience Replay (SEA-ER). SEA-ER features an innovative experience selection strategy that capitalizes on the topological awareness of GNNs, alongside a unique replay strategy that employs structural alignment to effectively counter catastrophic forgetting and diminish the impact of structural shifts on GNNs in NGCL. Our extensive experiments validate our theoretical insights and the effectiveness of SEA-ER.

Junwei Su

Graph Neural Networks(GNNs) are a family of neural models tailored for graph-structure data and have shown superior performance in learning representations for graph-structured data. However, training GNNs on large graphs remains challenging and a promising direction is distributed GNN training, which is to partition the input graph and distribute the workload across multiple machines. The key bottleneck of the existing distributed GNNs training framework is the across-machine communication induced by the dependency on the graph data and aggregation operator of GNNs. In this paper, we study the communication complexity during distributed GNNs training and propose a simple lossless communication reduction method, termed the Aggregation before Communication (ABC) method. ABC method exploits the permutation-invariant property of the GNNs layer and leads to a paradigm where vertex-cut is proved to admit a superior communication performance than the currently popular paradigm (edge-cut). In addition, we show that the new partition paradigm is particularly ideal in the case of dynamic graphs where it is infeasible to control the edge placement due to the unknown stochastic of the graph-changing process.

Junwei Su, Difan Zou, Zijun Zhang et al.

Incremental learning is a machine learning approach that involves training a model on a sequence of tasks, rather than all tasks at once. This ability to learn incrementally from a stream of tasks is crucial for many real-world applications. However, incremental learning is a challenging problem on graph-structured data, as many graph-related problems involve prediction tasks for each individual node, known as Node-wise Graph Incremental Learning (NGIL). This introduces non-independent and non-identically distributed characteristics in the sample data generation process, making it difficult to maintain the performance of the model as new tasks are added. In this paper, we focus on the inductive NGIL problem, which accounts for the evolution of graph structure (structural shift) induced by emerging tasks. We provide a formal formulation and analysis of the problem, and propose a novel regularization-based technique called Structural-Shift-Risk-Mitigation (SSRM) to mitigate the impact of the structural shift on catastrophic forgetting of the inductive NGIL problem. We show that the structural shift can lead to a shift in the input distribution for the existing tasks, and further lead to an increased risk of catastrophic forgetting. Through comprehensive empirical studies with several benchmark datasets, we demonstrate that our proposed method, Structural-Shift-Risk-Mitigation (SSRM), is flexible and easy to adapt to improve the performance of state-of-the-art GNN incremental learning frameworks in the inductive setting.

Junwei Su, Difan Zou, Chuan Wu

Memory-based Dynamic Graph Neural Networks (MDGNNs) are a family of dynamic graph neural networks that leverage a memory module to extract, distill, and memorize long-term temporal dependencies, leading to superior performance compared to memory-less counterparts. However, training MDGNNs faces the challenge of handling entangled temporal and structural dependencies, requiring sequential and chronological processing of data sequences to capture accurate temporal patterns. During the batch training, the temporal data points within the same batch will be processed in parallel, while their temporal dependencies are neglected. This issue is referred to as temporal discontinuity and restricts the effective temporal batch size, limiting data parallelism and reducing MDGNNs' flexibility in industrial applications. This paper studies the efficient training of MDGNNs at scale, focusing on the temporal discontinuity in training MDGNNs with large temporal batch sizes. We first conduct a theoretical study on the impact of temporal batch size on the convergence of MDGNN training. Based on the analysis, we propose PRES, an iterative prediction-correction scheme combined with a memory coherence learning objective to mitigate the effect of temporal discontinuity, enabling MDGNNs to be trained with significantly larger temporal batches without sacrificing generalization performance. Experimental results demonstrate that our approach enables up to a 4x larger temporal batch (3.4x speed-up) during MDGNN training.

Junwei Su, Chuan Wu

Many computer vision and machine learning problems are modelled as learning tasks on graphs where graph neural networks GNNs have emerged as a dominant tool for learning representations of graph structured data A key feature of GNNs is their use of graph structures as input enabling them to exploit the graphs inherent topological properties known as the topology awareness of GNNs Despite the empirical successes of GNNs the influence of topology awareness on generalization performance remains unexplored, particularly for node level tasks that diverge from the assumption of data being independent and identically distributed IID The precise definition and characterization of the topology awareness of GNNs especially concerning different topological features are still unclear This paper introduces a comprehensive framework to characterize the topology awareness of GNNs across any topological feature Using this framework we investigate the effects of topology awareness on GNN generalization performance Contrary to the prevailing belief that enhancing the topology awareness of GNNs is always advantageous our analysis reveals a critical insight improving the topology awareness of GNNs may inadvertently lead to unfair generalization across structural groups which might not be desired in some scenarios Additionally we conduct a case study using the intrinsic graph metric the shortest path distance on various benchmark datasets The empirical results of this case study confirm our theoretical insights Moreover we demonstrate the practical applicability of our framework by using it to tackle the cold start problem in graph active learning

Junwei Su, Shan Wu

Graph diffusion generative models (GDGMs) have emerged as powerful tools for generating high-quality graphs. However, their broader adoption faces challenges in \emph{scalability and size generalization}. GDGMs struggle to scale to large graphs due to their high memory requirements, as they typically operate in the full graph space, requiring the entire graph to be stored in memory during training and inference. This constraint limits their feasibility for large-scale real-world graphs. GDGMs also exhibit poor size generalization, with limited ability to generate graphs of sizes different from those in the training data, restricting their adaptability across diverse applications. To address these challenges, we propose the stochastic block graph diffusion (SBGD) model, which refines graph representations into a block graph space. This space incorporates structural priors based on real-world graph patterns, significantly reducing memory complexity and enabling scalability to large graphs. The block representation also improves size generalization by capturing fundamental graph structures. Empirical results show that SBGD achieves significant memory improvements (up to 6$\times$) while maintaining comparable or even superior graph generation performance relative to state-of-the-art methods. Furthermore, experiments demonstrate that SBGD better generalizes to unseen graph sizes. The significance of SBGD extends beyond being a scalable and effective GDGM; it also exemplifies the principle of modularization in generative modeling, offering a new avenue for exploring generative models by decomposing complex tasks into more manageable components.

Junwei Su, Chuan Wu

This paper studies the interplay between learning algorithms and graph structure for graph neural networks (GNNs). Existing theoretical studies on the learning dynamics of GNNs primarily focus on the convergence rates of learning algorithms under the interpolation regime (noise-free) and offer only a crude connection between these dynamics and the actual graph structure (e.g., maximum degree). This paper aims to bridge this gap by investigating the excessive risk (generalization performance) of learning algorithms in GNNs within the generalization regime (with noise). Specifically, we extend the conventional settings from the learning theory literature to the context of GNNs and examine how graph structure influences the performance of learning algorithms such as stochastic gradient descent (SGD) and Ridge regression. Our study makes several key contributions toward understanding the interplay between graph structure and learning in GNNs. First, we derive the excess risk profiles of SGD and Ridge regression in GNNs and connect these profiles to the graph structure through spectral graph theory. With this established framework, we further explore how different graph structures (regular vs. power-law) impact the performance of these algorithms through comparative analysis. Additionally, we extend our analysis to multi-layer linear GNNs, revealing an increasing non-isotropic effect on the excess risk profile, thereby offering new insights into the over-smoothing issue in GNNs from the perspective of learning algorithms. Our empirical results align with our theoretical predictions, \emph{collectively showcasing a coupling relation among graph structure, GNNs and learning algorithms, and providing insights on GNN algorithm design and selection in practice.}