MPNNs have been studied extensively in theory and practice [Böker et al., 2023, Gilmer et al., 2017,

Message-passing graph neural networks (MPNNs) have emerged as a powerful paradigm for graph-based machine learning. Despite their effectiveness, MPNNs face challenges such as under-reaching and over-squashing, where limited receptive fields and structural bottlenecks hinder information flow in the graph. While graph transformers hold promise in addressing these issues, their scalability is limited due to quadratic complexity regarding the number of nodes, rendering them impractical for larger graphs. Here, we propose implicitly rewired message-passing neural networks (IPR-MPNNs), a novel approach that integrates implicit probabilistic graph rewiring into MPNNs. By introducing a small number of virtual nodes, i.e., adding additional nodes to a given graph and connecting them to existing nodes, in a differentiable, end-to-end manner, IPR-MPNNs enable long-distance message propagation, circumventing quadratic complexity. Theoretically, we demonstrate that IPR-MPNNs surpass the expressiveness of traditional MPNNs. Empirically, we validate our approach by showcasing its ability to mitigate under-reaching and over-squashing effects, achieving state-of-the-art performance across multiple graph datasets. Notably, IPR-MPNNs outperform graph transformers while maintaining significantly faster computational efficiency.

Message Passing Neural Networks (MPNNs) are widely used for learning on graphs, but their ability to process long-range information is limited by the phenomenon of oversquashing. This limitation has led some researchers to advocate Graph Transformers as a better alternative, whereas others suggest that it can be mitigated within the MPNN framework, using virtual nodes or other rewiring techniques. In this work, we demonstrate that oversquashing is not limited to long-range tasks, but can also arise in short-range problems. This observation allows us to disentangle two distinct mechanisms underlying oversquashing: (1) the bottleneck phenomenon, which can arise even in low-range settings, and (2) the vanishing gradient phenomenon, which is closely associated with long-range tasks. We further show that the short-range bottleneck effect is not captured by existing explanations for oversquashing, and that adding virtual nodes does not resolve it. In contrast, transformers do succeed in such tasks, positioning them as the more compelling solution to oversquashing, compared to specialized MPNNs.

Pedestrian trajectory prediction is critical for ensuring safety in autonomous driving, surveillance systems, and urban planning applications. While early approaches primarily focus on one-hop pairwise relationships, recent studies attempt to capture high-order interactions by stacking multiple Graph Neural Network (GNN) layers. However, these approaches face a fundamental trade-off: insufficient layers may lead to under-reaching problems that limit the model's receptive field, while excessive depth can result in prohibitive computational costs. We argue that an effective model should be capable of adaptively modeling both explicit one-hop interactions and implicit high-order dependencies, rather than relying solely on architectural depth. To this end, we propose ViTE (Virtual graph Trajectory Expert router), a novel framework for pedestrian trajectory prediction. ViTE consists of two key modules: a Virtual Graph that introduces dynamic virtual nodes to model long-range and high-order interactions without deep GNN stacks, and an Expert Router that adaptively selects interaction experts based on social context using a Mixture-of-Experts design. This combination enables flexible and scalable reasoning across varying interaction patterns. Experiments on three benchmarks (ETH/UCY, NBA, and SDD) demonstrate that our method consistently achieves state-of-the-art performance, validating both its effectiveness and practical efficiency.

Equivariant Graph Neural Networks (GNNs) have demonstrated significant success across various applications. To achieve completeness -- that is, the universal approximation property over the space of equivariant functions -- the network must effectively capture the intricate multi-body interactions among different nodes. Prior methods attain this via deeper architectures, augmented body orders, or increased degrees of steerable features, often at high computational cost and without polynomial-time solutions. In this work, we present a theoretically grounded framework for constructing complete equivariant GNNs that is both efficient and practical. We prove that a complete equivariant GNN can be achieved through two key components: 1) a complete scalar function, referred to as the canonical form of the geometric graph; and 2) a full-rank steerable basis set. Leveraging this finding, we propose an efficient algorithm for constructing complete equivariant GNNs based on two common models: EGNN and TFN. Empirical results demonstrate that our model demonstrates superior completeness and excellent performance with only a few layers, thereby significantly reducing computational overhead while maintaining strong practical efficacy.

Modern large-scale finite-sum optimization relies on two key aspects: distribution and stochastic updates.

Mean-shift-based approaches have recently emerged as the most effective methods for robot swarm shape assembly tasks. These methods rely on image-based representations of target shapes to compute local density gradients and perform mean-shift exploration, which constitute their core mechanism. However, such image representations incur substantial memory overhead, which can become prohibitive for high-resolution or 3D shapes. To overcome this limitation, we propose a memory-efficient tree map representation that hierarchically encodes user-specified shapes and is applicable to both 2D and 3D scenarios. Building on this representation, we design a behavior-based distributed controller that enables assignment-free shape assembly. Comparative 2D and 3D simulations against a state-of-the-art mean-shift algorithm demonstrate one to two orders of magnitude lower memory usage and two to three times faster shape entry while maintaining comparable uniformity. Finally, we validate the framework through physical experiments with 6 to 7 UAVs, confirming its real-world practicality.

Heterogeneous Graph Neural Networks (HGNNs) have exhibited powerful performance in heterogeneous graph learning by aggregating information from various types of nodes and edges. However, existing heterogeneous graph models often struggle to capture long-range information or necessitate stacking numerous layers to learn such dependencies, resulting in high computational complexity and encountering over-smoothing issues. In this paper, we propose a Virtual Nodes based Heterogeneous Graph Convolutional Network (VN-HGCN), which leverages virtual nodes to facilitate enhanced information flow within the graph. Virtual nodes are auxiliary nodes interconnected with all nodes of a specific type in the graph, facilitating efficient aggregation of long-range information across different types of nodes and edges. By incorporating virtual nodes into the graph structure, VN-HGCN achieves effective information aggregation with only $4$ layers. Additionally, we demonstrate that VN-HGCN can serve as a versatile framework that can be seamlessly applied to other HGNN models, showcasing its generalizability. Empirical evaluations validate the effectiveness of VN-HGCN, and extensive experiments conducted on three real-world heterogeneous graph datasets demonstrate the superiority of our model over several state-of-the-art baselines.