Wee Peng Tay

Sijie Wang, Qiyu Kang, Rui She et al.

LiDAR relocalization plays a crucial role in many fields, including robotics, autonomous driving, and computer vision. LiDAR-based retrieval from a database typically incurs high computation storage costs and can lead to globally inaccurate pose estimations if the database is too sparse. On the other hand, pose regression methods take images or point clouds as inputs and directly regress global poses in an end-to-end manner. They do not perform database matching and are more computationally efficient than retrieval techniques. We propose HypLiLoc, a new model for LiDAR pose regression. We use two branched backbones to extract 3D features and 2D projection features, respectively. We consider multi-modal feature fusion in both Euclidean and hyperbolic spaces to obtain more effective feature representations. Experimental results indicate that HypLiLoc achieves state-of-the-art performance in both outdoor and indoor datasets. We also conduct extensive ablation studies on the framework design, which demonstrate the effectiveness of multi-modal feature extraction and multi-space embedding. Our code is released at: https://github.com/sijieaaa/HypLiLoc

Sijie Wang, Qiyu Kang, Rui She et al.

Camera relocalization has various applications in autonomous driving. Previous camera pose regression models consider only ideal scenarios where there is little environmental perturbation. To deal with challenging driving environments that may have changing seasons, weather, illumination, and the presence of unstable objects, we propose RobustLoc, which derives its robustness against perturbations from neural differential equations. Our model uses a convolutional neural network to extract feature maps from multi-view images, a robust neural differential equation diffusion block module to diffuse information interactively, and a branched pose decoder with multi-layer training to estimate the vehicle poses. Experiments demonstrate that RobustLoc surpasses current state-of-the-art camera pose regression models and achieves robust performance in various environments. Our code is released at: https://github.com/sijieaaa/RobustLoc

Kai Zhao, Qiyu Kang, Yang Song et al.

Graph neural networks (GNNs) are vulnerable to adversarial perturbations, including those that affect both node features and graph topology. This paper investigates GNNs derived from diverse neural flows, concentrating on their connection to various stability notions such as BIBO stability, Lyapunov stability, structural stability, and conservative stability. We argue that Lyapunov stability, despite its common use, does not necessarily ensure adversarial robustness. Inspired by physics principles, we advocate for the use of conservative Hamiltonian neural flows to construct GNNs that are robust to adversarial attacks. The adversarial robustness of different neural flow GNNs is empirically compared on several benchmark datasets under a variety of adversarial attacks. Extensive numerical experiments demonstrate that GNNs leveraging conservative Hamiltonian flows with Lyapunov stability substantially improve robustness against adversarial perturbations. The implementation code of experiments is available at https://github.com/zknus/NeurIPS-2023-HANG-Robustness.

Sijie Wang, Qiyu Kang, Rui She et al.

Building facade parsing, which predicts pixel-level labels for building facades, has applications in computer vision perception for autonomous vehicle (AV) driving. However, instead of a frontal view, an on-board camera of an AV captures a deformed view of the facade of the buildings on both sides of the road the AV is travelling on, due to the camera perspective. We propose Facade R-CNN, which includes a transconv module, generalized bounding box detection, and convex regularization, to perform parsing of deformed facade views. Experiments demonstrate that Facade R-CNN achieves better performance than the current state-of-the-art facade parsing models, which are primarily developed for frontal views. We also publish a new building facade parsing dataset derived from the Oxford RobotCar dataset, which we call the Oxford RobotCar Facade dataset. This dataset contains 500 street-view images from the Oxford RobotCar dataset augmented with accurate annotations of building facade objects. The published dataset is available at https://github.com/sijieaaa/Oxford-RobotCar-Facade

Yang Song, Qiyu Kang, Sijie Wang et al.

Neural diffusion on graphs is a novel class of graph neural networks that has attracted increasing attention recently. The capability of graph neural partial differential equations (PDEs) in addressing common hurdles of graph neural networks (GNNs), such as the problems of over-smoothing and bottlenecks, has been investigated but not their robustness to adversarial attacks. In this work, we explore the robustness properties of graph neural PDEs. We empirically demonstrate that graph neural PDEs are intrinsically more robust against topology perturbation as compared to other GNNs. We provide insights into this phenomenon by exploiting the stability of the heat semigroup under graph topology perturbations. We discuss various graph diffusion operators and relate them to existing graph neural PDEs. Furthermore, we propose a general graph neural PDE framework based on which a new class of robust GNNs can be defined. We verify that the new model achieves comparable state-of-the-art performance on several benchmark datasets.

Yuan Wang, Wee Peng Tay, Wuhua Hu

We consider a multitask estimation problem where nodes in a network are divided into several connected clusters, with each cluster performing a least-mean-squares estimation of a different random parameter vector. Inspired by the adapt-then-combine diffusion strategy, we propose a multitask diffusion strategy whose mean stability can be ensured whenever individual nodes are stable in the mean, regardless of the inter-cluster cooperation weights. In addition, the proposed strategy is able to achieve an asymptotically unbiased estimation, when the parameters have same mean. We also develop an inter-cluster cooperation weights selection scheme that allows each node in the network to locally optimize its inter-cluster cooperation weights. Numerical results demonstrate that our approach leads to a lower average steady-state network mean-square deviation, compared with using weights selected by various other commonly adopted methods in the literature.

See Hian Lee, Feng Ji, Wee Peng Tay

Heterogeneous graphs have multiple node and edge types and are semantically richer than homogeneous graphs. To learn such complex semantics, many graph neural network approaches for heterogeneous graphs use metapaths to capture multi-hop interactions between nodes. Typically, features from non-target nodes are not incorporated into the learning procedure. However, there can be nonlinear, high-order interactions involving multiple nodes or edges. In this paper, we present Simplicial Graph Attention Network (SGAT), a simplicial complex approach to represent such high-order interactions by placing features from non-target nodes on the simplices. We then use attention mechanisms and upper adjacencies to generate representations. We empirically demonstrate the efficacy of our approach with node classification tasks on heterogeneous graph datasets and further show SGAT's ability in extracting structural information by employing random node features. Numerical experiments indicate that SGAT performs better than other current state-of-the-art heterogeneous graph learning methods.

Feng Ji, See Hian Lee, Hanyang Meng et al.

In node classification using graph neural networks (GNNs), a typical model generates logits for different class labels at each node. A softmax layer often outputs a label prediction based on the largest logit. We demonstrate that it is possible to infer hidden graph structural information from the dataset using these logits. We introduce the key notion of label non-uniformity, which is derived from the Wasserstein distance between the softmax distribution of the logits and the uniform distribution. We demonstrate that nodes with small label non-uniformity are harder to classify correctly. We theoretically analyze how the label non-uniformity varies across the graph, which provides insights into boosting the model performance: increasing training samples with high non-uniformity or dropping edges to reduce the maximal cut size of the node set of small non-uniformity. These mechanisms can be easily added to a base GNN model. Experimental results demonstrate that our approach improves the performance of many benchmark base models.

Rui She, Qiyu Kang, Sijie Wang et al.

For autonomous vehicles (AVs), visual perception techniques based on sensors like cameras play crucial roles in information acquisition and processing. In various computer perception tasks for AVs, it may be helpful to match landmark patches taken by an onboard camera with other landmark patches captured at a different time or saved in a street scene image database. To perform matching under challenging driving environments caused by changing seasons, weather, and illumination, we utilize the spatial neighborhood information of each patch. We propose an approach, named RobustMat, which derives its robustness to perturbations from neural differential equations. A convolutional neural ODE diffusion module is used to learn the feature representation for the landmark patches. A graph neural PDE diffusion module then aggregates information from neighboring landmark patches in the street scene. Finally, feature similarity learning outputs the final matching score. Our approach is evaluated on several street scene datasets and demonstrated to achieve state-of-the-art matching results under environmental perturbations.

Rui She, Qiyu Kang, Sijie Wang et al.

Matching landmark patches from a real-time image captured by an on-vehicle camera with landmark patches in an image database plays an important role in various computer perception tasks for autonomous driving. Current methods focus on local matching for regions of interest and do not take into account spatial neighborhood relationships among the image patches, which typically correspond to objects in the environment. In this paper, we construct a spatial graph with the graph vertices corresponding to patches and edges capturing the spatial neighborhood information. We propose a joint feature and metric learning model with graph-based learning. We provide a theoretical basis for the graph-based loss by showing that the information distance between the distributions conditioned on matched and unmatched pairs is maximized under our framework. We evaluate our model using several street-scene datasets and demonstrate that our approach achieves state-of-the-art matching results.

Xingchao Jian, Purui Zhang, Lan Tian et al.

Detecting the origin of information or infection spread in networks is a fundamental challenge with applications in misinformation tracking, epidemiology, and beyond. We study the multi-source detection problem: given snapshot observations of node infection status on a graph, estimate the set of source nodes that initiated the propagation. Existing methods either lack statistical guarantees or are limited to specific diffusion models and assumptions. We propose a novel conformal prediction framework that provides statistically valid recall guarantees for source set detection, independent of the underlying diffusion process or data distribution. Our approach introduces principled score functions to quantify the alignment between predicted probabilities and true sources, and leverages a calibration set to construct prediction sets with user-specified recall and coverage levels. The method is applicable to both single- and multi-source scenarios, supports general network diffusion dynamics, and is computationally efficient for large graphs. Empirical results demonstrate that our method achieves rigorous coverage with competitive accuracy, outperforming existing baselines in both reliability and scalability.The code is available online.

Xingchao Jian, Feng Ji, Wee Peng Tay

Graphons have traditionally served as limit objects for dense graph sequences, with the cut distance serving as the metric for convergence. However, sparse graph sequences converge to the trivial graphon under the conventional definition of cut distance, which make this framework inadequate for many practical applications. In this paper, we utilize the concepts of generalized graphons and stretched cut distance to describe the convergence of sparse graph sequences. Specifically, we consider a random graph process generated from a generalized graphon. This random graph process converges to the generalized graphon in stretched cut distance. We use this random graph process to model the growing sparse graph, and prove the convergence of the adjacency matrices' eigenvalues. We supplement our findings with experimental validation. Our results indicate the possibility of transfer learning between sparse graphs.

Feng Ji, See Hian Lee, Kai Zhao et al.

In graph neural networks (GNNs), both node features and labels are examples of graph signals, a key notion in graph signal processing (GSP). While it is common in GSP to impose signal smoothness constraints in learning and estimation tasks, it is unclear how this can be done for discrete node labels. We bridge this gap by introducing the concept of distributional graph signals. In our framework, we work with the distributions of node labels instead of their values and propose notions of smoothness and non-uniformity of such distributional graph signals. We then propose a general regularization method for GNNs that allows us to encode distributional smoothness and non-uniformity of the model output in semi-supervised node classification tasks. Numerical experiments demonstrate that our method can significantly improve the performance of most base GNN models in different problem settings.

See Hian Lee, Feng Ji, Wee Peng Tay

Many graph neural networks have been developed to learn graph representations in either Euclidean or hyperbolic space, with all nodes' representations embedded in a single space. However, a graph can have hyperbolic and Euclidean geometries at different regions of the graph. Thus, it is sub-optimal to indifferently embed an entire graph into a single space. In this paper, we explore and analyze two notions of local hyperbolicity, describing the underlying local geometry: geometric (Gromov) and model-based, to determine the preferred space of embedding for each node. The two hyperbolicities' distributions are aligned using the Wasserstein metric such that the calculated geometric hyperbolicity guides the choice of the learned model hyperbolicity. As such our model Joint Space Graph Neural Network (JSGNN) can leverage both Euclidean and hyperbolic spaces during learning by allowing node-specific geometry space selection. We evaluate our model on both node classification and link prediction tasks and observe promising performance compared to baseline models.

See Hian Lee, Feng Ji, Kelin Xia et al.

Traditionally, graph neural networks have been trained using a single observed graph. However, the observed graph represents only one possible realization. In many applications, the graph may encounter uncertainties, such as having erroneous or missing edges, as well as edge weights that provide little informative value. To address these challenges and capture additional information previously absent in the observed graph, we introduce latent variables to parameterize and generate multiple graphs. We obtain the maximum likelihood estimate of the network parameters in an Expectation-Maximization (EM) framework based on the multiple graphs. Specifically, we iteratively determine the distribution of the graphs using a Markov Chain Monte Carlo (MCMC) method, incorporating the principles of PAC-Bayesian theory. Numerical experiments demonstrate improvements in performance against baseline models on node classification for heterogeneous graphs and graph regression on chemistry datasets.

Purui Zhang, Xingchao Jian, Feng Ji et al.

Topological Signal Processing (TSP) utilizes simplicial complexes to model structures with higher order than vertices and edges. In this paper, we study the transferability of TSP via a generalized higher-order version of graphon, known as complexon. We recall the notion of a complexon as the limit of a simplicial complex sequence [1]. Inspired by the graphon shift operator and message-passing neural network, we construct a marginal complexon and complexon shift operator (CSO) according to components of all possible dimensions from the complexon. We investigate the CSO's eigenvalues and eigenvectors and relate them to a new family of weighted adjacency matrices. We prove that when a simplicial complex signal sequence converges to a complexon signal, the eigenvalues, eigenspaces, and Fourier transform of the corresponding CSOs converge to that of the limit complexon signal. This conclusion is further verified by two numerical experiments. These results hint at learning transferability on large simplicial complexes or simplicial complex sequences, which generalize the graphon signal processing framework.

Qiyu Kang, Kai Zhao, Yang Song et al.

Graph neural networks (GNNs) have achieved success in various inference tasks on graph-structured data. However, common challenges faced by many GNNs in the literature include the problem of graph node embedding under various geometries and the over-smoothing problem. To address these issues, we propose a novel graph information propagation strategy called Hamiltonian Dynamic GNN (HDG) that uses a Hamiltonian mechanics approach to learn node embeddings in a graph. The Hamiltonian energy function in HDG is learnable and can adapt to the underlying geometry of any given graph dataset. We demonstrate the ability of HDG to automatically learn the underlying geometry of graph datasets, even those with complex and mixed geometries, through comprehensive evaluations against state-of-the-art baselines on various downstream tasks. We also verify that HDG is stable against small perturbations and can mitigate the over-smoothing problem when stacking many layers.

Qiyu Kang, Kai Zhao, Qinxu Ding et al.

We introduce the FRactional-Order graph Neural Dynamical network (FROND), a new continuous graph neural network (GNN) framework. Unlike traditional continuous GNNs that rely on integer-order differential equations, FROND employs the Caputo fractional derivative to leverage the non-local properties of fractional calculus. This approach enables the capture of long-term dependencies in feature updates, moving beyond the Markovian update mechanisms in conventional integer-order models and offering enhanced capabilities in graph representation learning. We offer an interpretation of the node feature updating process in FROND from a non-Markovian random walk perspective when the feature updating is particularly governed by a diffusion process. We demonstrate analytically that oversmoothing can be mitigated in this setting. Experimentally, we validate the FROND framework by comparing the fractional adaptations of various established integer-order continuous GNNs, demonstrating their consistently improved performance and underscoring the framework's potential as an effective extension to enhance traditional continuous GNNs. The code is available at \url{https://github.com/zknus/ICLR2024-FROND}.

Sijie Wang, Rui She, Qiyu Kang et al.

The utilization of multi-modal sensor data in visual place recognition (VPR) has demonstrated enhanced performance compared to single-modal counterparts. Nonetheless, integrating additional sensors comes with elevated costs and may not be feasible for systems that demand lightweight operation, thereby impacting the practical deployment of VPR. To address this issue, we resort to knowledge distillation, which empowers single-modal students to learn from cross-modal teachers without introducing additional sensors during inference. Despite the notable advancements achieved by current distillation approaches, the exploration of feature relationships remains an under-explored area. In order to tackle the challenge of cross-modal distillation in VPR, we present DistilVPR, a novel distillation pipeline for VPR. We propose leveraging feature relationships from multiple agents, including self-agents and cross-agents for teacher and student neural networks. Furthermore, we integrate various manifolds, characterized by different space curvatures for exploring feature relationships. This approach enhances the diversity of feature relationships, including Euclidean, spherical, and hyperbolic relationship modules, thereby enhancing the overall representational capacity. The experiments demonstrate that our proposed pipeline achieves state-of-the-art performance compared to other distillation baselines. We also conduct necessary ablation studies to show design effectiveness. The code is released at: https://github.com/sijieaaa/DistilVPR

Wenfei Liang, Wee Peng Tay

In federated learning (FL), accommodating clients with diverse resource constraints remains a significant challenge. A widely adopted approach is to use a shared full-size model, from which each client extracts a submodel aligned with its computational budget. However, regardless of the specific scoring strategy, these methods rely on the same global backbone, limiting both structural diversity and representational adaptation across clients. This paper presents FRAMP, a unified framework for personalized and resource-adaptive federated learning. Instead of relying on a fixed global model, FRAMP generates client-specific models from compact client descriptors, enabling fine-grained adaptation to both data characteristics and computational budgets. Each client trains a tailored lightweight submodel and aligns its learned representation with others to maintain global semantic consistency. Extensive experiments on vision and graph benchmarks demonstrate that FRAMP enhances generalization and adaptivity across a wide range of client settings.

Tianyu Geng, Feng Ji, Wee Peng Tay

Conventional image sensors have limited dynamic range, causing saturation in high-dynamic-range (HDR) scenes. Modulo cameras address this by folding incident irradiance into a bounded range, yet require specialized unwrapping algorithms to reconstruct the underlying signal. Unlike HDR recovery, which extends dynamic range from conventional sampling, modulo recovery restores actual values from folded samples. Despite being introduced over a decade ago, progress in modulo image recovery has been slow, especially in the use of modern deep learning techniques. In this work, we demonstrate that standard HDR methods are unsuitable for modulo recovery. Transformers, however, can capture global dependencies and spatial-temporal relationships crucial for resolving folded video frames. Still, adapting existing Transformer architectures for modulo recovery demands novel techniques. To this end, we present Selective Spatiotemporal Vision Transformer (SSViT), the first deep learning framework for modulo video reconstruction. SSViT employs a token selection strategy to improve efficiency and concentrate on the most critical regions. Experiments confirm that SSViT produces high-quality reconstructions from 8-bit folded videos and achieves state-of-the-art performance in modulo video recovery.

Yanan Zhao, Feng Ji, Jingyang Dai et al.

Graph contrastive learning (GCL) learns node and graph representations by contrasting multiple views of the same graph. Existing methods typically rely on fixed, handcrafted views-usually a local and a global perspective, which limits their ability to capture multi-scale structural patterns. We present an augmentation-free, multi-view GCL framework grounded in fractional-order continuous dynamics. By varying the fractional derivative order $α\in (0,1]$, our encoders produce a continuous spectrum of views: small $α$ yields localized features, while large $α$ induces broader, global aggregation. We treat $α$ as a learnable parameter so the model can adapt diffusion scales to the data and automatically discover informative views. This principled approach generates diverse, complementary representations without manual augmentations. Extensive experiments on standard benchmarks demonstrate that our method produces more robust and expressive embeddings and outperforms state-of-the-art GCL baselines.

Yahya Alkhatib, Wee Peng Tay

Contrastive learning produces coherent semantic feature embeddings by encouraging positive samples to cluster closely while separating negative samples. However, existing contrastive learning methods lack principled guarantees on coverage within the semantic feature space. We extend conformal prediction to this setting by introducing minimum-volume covering sets equipped with learnable generalized multi-norm constraints. We propose a method that constructs conformal sets guaranteeing user-specified coverage of positive samples while maximizing negative sample exclusion. We establish theoretically that volume minimization serves as a proxy for negative exclusion, enabling our approach to operate effectively even when negative pairs are unavailable. The positive inclusion guarantee inherits the distribution-free coverage property of conformal prediction, while negative exclusion is maximized through learned set geometry optimized on a held-out training split. Experiments on simulated and real-world image datasets demonstrate improved inclusion-exclusion trade-offs compared to standard distance-based conformal baselines.

Kai Zhao, Xuhao Li, Qiyu Kang et al.

We introduce the Distributed-order fRActional Graph Operating Network (DRAGON), a novel continuous Graph Neural Network (GNN) framework that incorporates distributed-order fractional calculus. Unlike traditional continuous GNNs that utilize integer-order or single fractional-order differential equations, DRAGON uses a learnable probability distribution over a range of real numbers for the derivative orders. By allowing a flexible and learnable superposition of multiple derivative orders, our framework captures complex graph feature updating dynamics beyond the reach of conventional models. We provide a comprehensive interpretation of our framework's capability to capture intricate dynamics through the lens of a non-Markovian graph random walk with node feature updating driven by an anomalous diffusion process over the graph. Furthermore, to highlight the versatility of the DRAGON framework, we conduct empirical evaluations across a range of graph learning tasks. The results consistently demonstrate superior performance when compared to traditional continuous GNN models. The implementation code is available at \url{https://github.com/zknus/NeurIPS-2024-DRAGON}.

Sijie Wang, Siqi Li, Yawei Zhang et al.

Multi-modal perception is essential for unmanned aerial vehicle (UAV) operations, as it enables a comprehensive understanding of the UAVs' surrounding environment. However, most existing multi-modal UAV datasets are primarily biased toward localization and 3D reconstruction tasks, or only support map-level semantic segmentation due to the lack of frame-wise annotations for both camera images and LiDAR point clouds. This limitation prevents them from being used for high-level scene understanding tasks. To address this gap and advance multi-modal UAV perception, we introduce UAVScenes, a large-scale dataset designed to benchmark various tasks across both 2D and 3D modalities. Our benchmark dataset is built upon the well-calibrated multi-modal UAV dataset MARS-LVIG, originally developed only for simultaneous localization and mapping (SLAM). We enhance this dataset by providing manually labeled semantic annotations for both frame-wise images and LiDAR point clouds, along with accurate 6-degree-of-freedom (6-DoF) poses. These additions enable a wide range of UAV perception tasks, including segmentation, depth estimation, 6-DoF localization, place recognition, and novel view synthesis (NVS). Our dataset is available at https://github.com/sijieaaa/UAVScenes

Rui She, Sijie Wang, Qiyu Kang et al.

Point cloud registration is a crucial technique in 3D computer vision with a wide range of applications. However, this task can be challenging, particularly in large fields of view with dynamic objects, environmental noise, or other perturbations. To address this challenge, we propose a model called PosDiffNet. Our approach performs hierarchical registration based on window-level, patch-level, and point-level correspondence. We leverage a graph neural partial differential equation (PDE) based on Beltrami flow to obtain high-dimensional features and position embeddings for point clouds. We incorporate position embeddings into a Transformer module based on a neural ordinary differential equation (ODE) to efficiently represent patches within points. We employ the multi-level correspondence derived from the high feature similarity scores to facilitate alignment between point clouds. Subsequently, we use registration methods such as SVD-based algorithms to predict the transformation using corresponding point pairs. We evaluate PosDiffNet on several 3D point cloud datasets, verifying that it achieves state-of-the-art (SOTA) performance for point cloud registration in large fields of view with perturbations. The implementation code of experiments is available at https://github.com/AI-IT-AVs/PosDiffNet.

Qiyu Kang, Kai Zhao, Yang Song et al.

In the graph node embedding problem, embedding spaces can vary significantly for different data types, leading to the need for different GNN model types. In this paper, we model the embedding update of a node feature as a Hamiltonian orbit over time. Since the Hamiltonian orbits generalize the exponential maps, this approach allows us to learn the underlying manifold of the graph in training, in contrast to most of the existing literature that assumes a fixed graph embedding manifold with a closed exponential map solution. Our proposed node embedding strategy can automatically learn, without extensive tuning, the underlying geometry of any given graph dataset even if it has diverse geometries. We test Hamiltonian functions of different forms and verify the performance of our approach on two graph node embedding downstream tasks: node classification and link prediction. Numerical experiments demonstrate that our approach adapts better to different types of graph datasets than popular state-of-the-art graph node embedding GNNs. The code is available at \url{https://github.com/zknus/Hamiltonian-GNN}.

Kai Zhao, Qiyu Kang, Yang Song et al.

Graph neural networks (GNNs) have shown promising results across various graph learning tasks, but they often assume homophily, which can result in poor performance on heterophilic graphs. The connected nodes are likely to be from different classes or have dissimilar features on heterophilic graphs. In this paper, we propose a novel GNN that incorporates the principle of heterophily by modeling the flow of information on nodes using the convection-diffusion equation (CDE). This allows the CDE to take into account both the diffusion of information due to homophily and the ``convection'' of information due to heterophily. We conduct extensive experiments, which suggest that our framework can achieve competitive performance on node classification tasks for heterophilic graphs, compared to the state-of-the-art methods. The code is available at \url{https://github.com/zknus/Graph-Diffusion-CDE}.

Rui She, Qiyu Kang, Sijie Wang et al.

Point cloud registration is a fundamental technique in 3-D computer vision with applications in graphics, autonomous driving, and robotics. However, registration tasks under challenging conditions, under which noise or perturbations are prevalent, can be difficult. We propose a robust point cloud registration approach that leverages graph neural partial differential equations (PDEs) and heat kernel signatures. Our method first uses graph neural PDE modules to extract high dimensional features from point clouds by aggregating information from the 3-D point neighborhood, thereby enhancing the robustness of the feature representations. Then, we incorporate heat kernel signatures into an attention mechanism to efficiently obtain corresponding keypoints. Finally, a singular value decomposition (SVD) module with learnable weights is used to predict the transformation between two point clouds. Empirical experiments on a 3-D point cloud dataset demonstrate that our approach not only achieves state-of-the-art performance for point cloud registration but also exhibits better robustness to additive noise or 3-D shape perturbations.

Qiyu Kang, Kai Zhao, Yang Song et al.

In this work, we rigorously investigate the robustness of graph neural fractional-order differential equation (FDE) models. This framework extends beyond traditional graph neural (integer-order) ordinary differential equation (ODE) models by implementing the time-fractional Caputo derivative. Utilizing fractional calculus allows our model to consider long-term memory during the feature updating process, diverging from the memoryless Markovian updates seen in traditional graph neural ODE models. The superiority of graph neural FDE models over graph neural ODE models has been established in environments free from attacks or perturbations. While traditional graph neural ODE models have been verified to possess a degree of stability and resilience in the presence of adversarial attacks in existing literature, the robustness of graph neural FDE models, especially under adversarial conditions, remains largely unexplored. This paper undertakes a detailed assessment of the robustness of graph neural FDE models. We establish a theoretical foundation outlining the robustness characteristics of graph neural FDE models, highlighting that they maintain more stringent output perturbation bounds in the face of input and graph topology disturbances, compared to their integer-order counterparts. Our empirical evaluations further confirm the enhanced robustness of graph neural FDE models, highlighting their potential in adversarially robust applications.

Sijie Wang, Quanjiang Guo, Kai Zhao et al.

Code large language models (LLMs) have become indispensable tools for building efficient and automated coding pipelines. Existing models are typically post-trained using reinforcement learning (RL) from general-purpose LLMs using "human instruction-final answer" pairs, where the instructions are usually from manual annotations. However, collecting high-quality coding instructions is both labor-intensive and difficult to scale. On the other hand, code snippets are abundantly available from various sources. This imbalance presents a major bottleneck in instruction-based post-training. We propose CodeBoost, a post-training framework that enhances code LLMs purely from code snippets, without relying on human-annotated instructions. CodeBoost introduces the following key components: (1) maximum-clique curation, which selects a representative and diverse training corpus from code; (2) bi-directional prediction, which enables the model to learn from both forward and backward prediction objectives; (3) error-aware prediction, which incorporates learning signals from both correct and incorrect outputs; (4) heterogeneous augmentation, which diversifies the training distribution to enrich code semantics; and (5) heterogeneous rewarding, which guides model learning through multiple reward types including format correctness and execution feedback from both successes and failures. Extensive experiments across several code LLMs and benchmarks verify that CodeBoost consistently improves performance, demonstrating its effectiveness as a scalable and effective training pipeline.

Wenjun Cui, Qiyu Kang, Xuhao Li et al.

Neural differential equation models have garnered significant attention in recent years for their effectiveness in machine learning applications.Among these, fractional differential equations (FDEs) have emerged as a promising tool due to their ability to capture memory-dependent dynamics, which are often challenging to model with traditional integer-order approaches.While existing models have primarily focused on constant-order fractional derivatives, variable-order fractional operators offer a more flexible and expressive framework for modeling complex memory patterns. In this work, we introduce the Neural Variable-Order Fractional Differential Equation network (NvoFDE), a novel neural network framework that integrates variable-order fractional derivatives with learnable neural networks.Our framework allows for the modeling of adaptive derivative orders dependent on hidden features, capturing more complex feature-updating dynamics and providing enhanced flexibility. We conduct extensive experiments across multiple graph datasets to validate the effectiveness of our approach.Our results demonstrate that NvoFDE outperforms traditional constant-order fractional and integer models across a range of tasks, showcasing its superior adaptability and performance.

Qiyu Kang, Xuhao Li, Kai Zhao et al.

Fractional-order differential equations (FDEs) enhance traditional differential equations by extending the order of differential operators from integers to real numbers, offering greater flexibility in modeling complex dynamical systems with nonlocal characteristics. Recent progress at the intersection of FDEs and deep learning has catalyzed a new wave of innovative models, demonstrating the potential to address challenges such as graph representation learning. However, training neural FDEs has primarily relied on direct differentiation through forward-pass operations in FDE numerical solvers, leading to increased memory usage and computational complexity, particularly in large-scale applications. To address these challenges, we propose a scalable adjoint backpropagation method for training neural FDEs by solving an augmented FDE backward in time, which substantially reduces memory requirements. This approach provides a practical neural FDE toolbox and holds considerable promise for diverse applications. We demonstrate the effectiveness of our method in several tasks, achieving performance comparable to baseline models while significantly reducing computational overhead.

Yanan Zhao, Feng Ji, Jingyang Dai et al.

Graph Contrastive Learning (GCL) has shown strong promise for unsupervised graph representation learning, yet its effectiveness on heterophilic graphs, where connected nodes often belong to different classes, remains limited. Most existing methods rely on complex augmentation schemes, intricate encoders, or negative sampling, which raises the question of whether such complexity is truly necessary in this challenging setting. In this work, we revisit the foundations of supervised and unsupervised learning on graphs and uncover a simple yet effective principle for GCL: mitigating node feature noise by aggregating it with structural features derived from the graph topology. This observation suggests that the original node features and the graph structure naturally provide two complementary views for contrastive learning. Building on this insight, we propose an embarrassingly simple GCL model that uses a GCN encoder to capture structural features and an MLP encoder to isolate node feature noise. Our design requires neither data augmentation nor negative sampling, yet achieves state-of-the-art results on heterophilic benchmarks with minimal computational and memory overhead, while also offering advantages in homophilic graphs in terms of complexity, scalability, and robustness. We provide theoretical justification for our approach and validate its effectiveness through extensive experiments, including robustness evaluations against both black-box and white-box adversarial attacks.

Wenfei Liang, Yanan Zhao, Rui She et al.

Graph-structured data is prevalent in many applications. In subgraph federated learning (FL), this data is distributed across clients, each with a local subgraph. Personalized subgraph FL aims to develop a customized model for each client to handle diverse data distributions. However, performance variation across clients remains a key issue due to the heterogeneity of local subgraphs. To overcome the challenge, we propose FedSheafHN, a novel framework built on a sheaf collaboration mechanism to unify enhanced client descriptors with efficient personalized model generation. Specifically, FedSheafHN embeds each client's local subgraph into a server-constructed collaboration graph by leveraging graph-level embeddings and employing sheaf diffusion within the collaboration graph to enrich client representations. Subsequently, FedSheafHN generates customized client models via a server-optimized hypernetwork. Empirical evaluations demonstrate that FedSheafHN outperforms existing personalized subgraph FL methods on various graph datasets. Additionally, it exhibits fast model convergence and effectively generalizes to new clients.

Yahya Alkhatib, Wee Peng Tay

The increasing demand for data privacy has made machine unlearning (MU) essential for removing the influence of specific training samples from machine learning models while preserving performance on retained data. However, most existing MU methods lack rigorous statistical guarantees or rely on heuristic metrics such as accuracy. To overcome these limitations, we introduce a new definition for MU based on conformal prediction (CP), providing statistically sound, uncertainty-aware guarantees without the need for the concept of naive retraining. We formalize the proposed conformal criteria that quantify how often forgotten samples are excluded from CP sets, and propose empirical metrics to measure the effectiveness of unlearning. We further present a practical unlearning method designed to optimize these conformal metrics. Extensive experiments across diverse forgetting scenarios, datasets and models demonstrate the efficacy of our approach in removing targeted data.

Yanan Zhao, Feng Ji, Kai Zhao et al.

Graph Contrastive Learning (GCL) has recently made progress as an unsupervised graph representation learning paradigm. GCL approaches can be categorized into augmentation-based and augmentation-free methods. The former relies on complex data augmentations, while the latter depends on encoders that can generate distinct views of the same input. Both approaches may require negative samples for training. In this paper, we introduce a novel augmentation-free GCL framework based on graph neural diffusion models. Specifically, we utilize learnable encoders governed by Fractional Differential Equations (FDE). Each FDE is characterized by an order parameter of the differential operator. We demonstrate that varying these parameters allows us to produce learnable encoders that generate diverse views, capturing either local or global information, for contrastive learning. Our model does not require negative samples for training and is applicable to both homophilic and heterophilic datasets. We demonstrate its effectiveness across various datasets, achieving state-of-the-art performance.

Qiyu Kang, Yang Song, Qinxu Ding et al.

Deep neural networks (DNNs) are well-known to be vulnerable to adversarial attacks, where malicious human-imperceptible perturbations are included in the input to the deep network to fool it into making a wrong classification. Recent studies have demonstrated that neural Ordinary Differential Equations (ODEs) are intrinsically more robust against adversarial attacks compared to vanilla DNNs. In this work, we propose a stable neural ODE with Lyapunov-stable equilibrium points for defending against adversarial attacks (SODEF). By ensuring that the equilibrium points of the ODE solution used as part of SODEF is Lyapunov-stable, the ODE solution for an input with a small perturbation converges to the same solution as the unperturbed input. We provide theoretical results that give insights into the stability of SODEF as well as the choice of regularizers to ensure its stability. Our analysis suggests that our proposed regularizers force the extracted feature points to be within a neighborhood of the Lyapunov-stable equilibrium points of the ODE. SODEF is compatible with many defense methods and can be applied to any neural network's final regressor layer to enhance its stability against adversarial attacks.

See Hian Lee, Feng Ji, Wee Peng Tay

A heterogeneous graph consists of different vertices and edges types. Learning on heterogeneous graphs typically employs meta-paths to deal with the heterogeneity by reducing the graph to a homogeneous network, guide random walks or capture semantics. These methods are however sensitive to the choice of meta-paths, with suboptimal paths leading to poor performance. In this paper, we propose an approach for learning on heterogeneous graphs without using meta-paths. Specifically, we decompose a heterogeneous graph into different homogeneous relation-type graphs, which are then combined to create higher-order relation-type representations. These representations preserve the heterogeneity of edges and retain their edge directions while capturing the interaction of different vertex types multiple hops apart. This is then complemented with attention mechanisms to distinguish the importance of the relation-type based neighbors and the relation-types themselves. Experiments demonstrate that our model generally outperforms other state-of-the-art baselines in the vertex classification task on three commonly studied heterogeneous graph datasets.

Chong Xiao Wang, Wee Peng Tay

Data is used widely by service providers as input to inference systems to perform decision making for authorized tasks. The raw data however allows a service provider to infer other sensitive information it has not been authorized for. We propose a data-driven inference privacy preserving framework to sanitize data so as to prevent leakage of sensitive information that is present in the raw data, while ensuring that the sanitized data is still compatible with the service provider's legacy inference system. We develop an inference privacy framework based on the variational method and include maximum mean discrepancy and domain adaption as techniques to regularize the domain of the sanitized data to ensure its legacy compatibility. However, the variational method leads to weak privacy in cases where the underlying data distribution is hard to approximate. It may also face difficulties when handling continuous private variables. To overcome this, we propose an alternative formulation of the privacy metric using maximal correlation and we present empirical methods to estimate it. Finally, we develop a deep learning model as an example of the proposed inference privacy framework. Numerical experiments verify the feasibility of our approach.

Hao Cheng, Joey Tianyi Zhou, Wee Peng Tay et al.

Graph Neural Networks (GNN) has demonstrated the superior performance in many challenging applications, including the few-shot learning tasks. Despite its powerful capacity to learn and generalize the model from few samples, GNN usually suffers from severe over-fitting and over-smoothing as the model becomes deep, which limit the scalability. In this work, we propose a novel Attentive GNN to tackle these challenges, by incorporating a triple-attention mechanism, i.e. node self-attention, neighborhood attention, and layer memory attention. We explain why the proposed attentive modules can improve GNN for few-shot learning with theoretical analysis and illustrations. Extensive experiments show that the proposed Attentive GNN model achieves the promising results, comparing to the state-of-the-art GNN- and CNN-based methods for few-shot learning tasks, over the mini-ImageNet and tiered-ImageNet benchmarks, under ConvNet-4 and ResNet-based backbone with both inductive and transductive settings. The codes will be made publicly available.

Yang Song, Qiyu Kang, Wee Peng Tay

Though deep learning has been applied successfully in many scenarios, malicious inputs with human-imperceptible perturbations can make it vulnerable in real applications. This paper proposes an error-correcting neural network (ECNN) that combines a set of binary classifiers to combat adversarial examples in the multi-class classification problem. To build an ECNN, we propose to design a code matrix so that the minimum Hamming distance between any two rows (i.e., two codewords) and the minimum shared information distance between any two columns (i.e., two partitions of class labels) are simultaneously maximized. Maximizing row distances can increase the system fault tolerance while maximizing column distances helps increase the diversity between binary classifiers. We propose an end-to-end training method for our ECNN, which allows further improvement of the diversity between binary classifiers. The end-to-end training renders our proposed ECNN different from the traditional error-correcting output code (ECOC) based methods that train binary classifiers independently. ECNN is complementary to other existing defense approaches such as adversarial training and can be applied in conjunction with them. We empirically demonstrate that our proposed ECNN is effective against the state-of-the-art white-box and black-box attacks on several datasets while maintaining good classification accuracy on normal examples.

Qiyu Kang, Wee Peng Tay

In a linear stochastic bandit model, each arm is a vector in an Euclidean space and the observed return at each time step is an unknown linear function of the chosen arm at that time step. In this paper, we investigate the problem of learning the best arm in a linear stochastic bandit model, where each arm's expected reward is an unknown linear function of the projection of the arm onto a subspace. We call this the projection reward. Unlike the classical linear bandit problem in which the observed return corresponds to the reward, the projection reward at each time step is unobservable. Such a model is useful in recommendation applications where the observed return includes corruption by each individual's biases, which we wish to exclude in the learned model. In the case where there are finitely many arms, we develop a strategy to achieve $O(|\bbD|\log n)$ regret, where $n$ is the number of time steps and $|\bbD|$ is the number of arms. In the case where each arm is chosen from an infinite compact set, our strategy achieves $O(n^{2/3}(\log{n})^{1/2})$ regret. Experiments verify the efficiency of our strategy.

Jielong Yang, Wee Peng Tay

The problem of estimating event truths from conflicting agent opinions in a social network is investigated. An autoencoder learns the complex relationships between event truths, agent reliabilities and agent observations. A Bayesian network model is proposed to guide the learning process by modeling the relationship of the autoencoder's outputs with different variables. At the same time, it also models the social relationships between agents in the network. The proposed approach is unsupervised and is applicable when ground truth labels of events are unavailable. A variational inference method is used to jointly estimate the hidden variables in the Bayesian network and the parameters in the autoencoder. Experiments on three real datasets demonstrate that our proposed approach is competitive with, and in most cases better than, several state-of-the-art benchmark methods.

Feng Ji, Jielong Yang, Qiang Zhang et al.

In view of the huge success of convolution neural networks (CNN) for image classification and object recognition, there have been attempts to generalize the method to general graph-structured data. One major direction is based on spectral graph theory and graph signal processing. In this paper, we study the problem from a completely different perspective, by introducing parallel flow decomposition of graphs. The essential idea is to decompose a graph into families of non-intersecting one dimensional (1D) paths, after which, we may apply a 1D CNN along each family of paths. We demonstrate that the our method, which we call GraphFlow, is able to transfer CNN architectures to general graphs. To show the effectiveness of our approach, we test our method on the classical MNIST dataset, synthetic datasets on network information propagation and a news article classification dataset.

Yang Song, Mingyang Guan, Wee Peng Tay et al.

We equip an ultra-wideband (UWB) node and a 2D LiDAR sensor a.k.a. 2D laser rangefinder on a mobile robot, and place UWB beacon nodes at unknown locations in an unknown environment. All UWB nodes can do ranging with each other thus forming a cooperative sensor network. We propose to fuse the peer-to-peer ranges measured between UWB nodes and laser scanning information, i.e. range measured between robot and nearby objects/obstacles, for simultaneous localization of the robot, all UWB beacons, and LiDAR mapping. The fusion is inspired by two facts: 1) LiDAR may improve UWB-only localization accuracy as it gives a more precise and comprehensive picture of the surrounding environment; 2) on the other hand, UWB ranging measurements may remove the error accumulated in the LiDAR-based SLAM algorithm. Our experiments demonstrate that UWB/LiDAR fusion enables drift-free SLAM in real-time based on ranging measurements only.

Qiyu Kang, Wee Peng Tay

Workers participating in a crowdsourcing platform can have a wide range of abilities and interests. An important problem in crowdsourcing is the task recommendation problem, in which tasks that best match a particular worker's preferences and reliabilities are recommended to that worker. A task recommendation scheme that assigns tasks more likely to be accepted by a worker who is more likely to complete it reliably results in better performance for the task requester. Without prior information about a worker, his preferences and reliabilities need to be learned over time. In this paper, we propose a multi-armed bandit (MAB) framework to learn a worker's preferences and his reliabilities for different categories of tasks. However, unlike the classical MAB problem, the reward from the worker's completion of a task is unobservable. We therefore include the use of gold tasks (i.e., tasks whose solutions are known \emph{a priori} and which do not produce any rewards) in our task recommendation procedure. Our model could be viewed as a new variant of MAB, in which the random rewards can only be observed at those time steps where gold tasks are used, and the accuracy of estimating the expected reward of recommending a task to a worker depends on the number of gold tasks used. We show that the optimal regret is $O(\sqrt{n})$, where $n$ is the number of tasks recommended to the worker. We develop three task recommendation strategies to determine the number of gold tasks for different task categories, and show that they are order optimal. Simulations verify the efficiency of our approaches.

Jielong Yang, Junshan Wang, Wee Peng Tay

We investigate the problem of truth discovery based on opinions from multiple agents who may be unreliable or biased. We consider the case where agents' reliabilities or biases are correlated if they belong to the same community, which defines a group of agents with similar opinions regarding a particular event. An agent can belong to different communities for different events, and these communities are unknown a priori. We incorporate knowledge of the agents' social network in our truth discovery framework and develop Laplace variational inference methods to estimate agents' reliabilities, communities, and the event states. We also develop a stochastic variational inference method to scale our model to large social networks. Simulations and experiments on real data suggest that when observations are sparse, our proposed methods perform better than several other inference methods, including majority voting, TruthFinder, AccuSim, the Confidence-Aware Truth Discovery method, the Bayesian Classifier Combination (BCC) method, and the Community BCC method.

Xin He, Meng Sun, Wee Peng Tay et al.

A sensor network wishes to transmit information to a fusion center to allow it to detect a public hypothesis, but at the same time prevent it from inferring a private hypothesis. We propose a multilayer nonlinear processing procedure at each sensor to distort the sensor's data before it is sent to the fusion center. In our proposed framework, sensors are grouped into clusters, and each sensor first applies a nonlinear fusion function on the information it receives from sensors in the same cluster and in a previous layer. A linear weighting matrix is then used to distort the information it sends to sensors in the next layer. We adopt a nonparametric approach and develop a modified mirror descent algorithm to optimize the weighting matrices so as to ensure that the regularized empirical risk of detecting the private hypothesis is above a given privacy threshold, while minimizing the regularized empirical risk of detecting the public hypothesis. Experiments on empirical datasets demonstrate that our approach is able to achieve a good trade-off between the error rates of the public and private hypothesis.

Qiyu Kang, Wee Peng Tay

We consider a crowdsourcing platform where workers' responses to questions posed by a crowdsourcer are used to determine the hidden state of a multi-class labeling problem. As workers may be unreliable, we propose to perform sequential questioning in which the questions posed to the workers are designed based on previous questions and answers. We propose a Partially-Observable Markov Decision Process (POMDP) framework to determine the best questioning strategy, subject to the crowdsourcer's budget constraint. As this POMDP formulation is in general intractable, we develop a suboptimal approach based on a $q$-ary Ulam-Rényi game. We also propose a sampling heuristic, which can be used in tandem with standard POMDP solvers, using our Ulam-Rényi strategy. We demonstrate through simulations that our approaches outperform a non-sequential strategy based on error correction coding and which does not utilize workers' previous responses.