Personalized federated learning (PFL) plays a pivotal role in ensuring efficient privacy preservation and secure collaborative learning. However, PFL faces significant challenges due to data heterogeneity and device diversity. To enhance personalization and robustness in PFL, we propose a novel model called FedNODE, which leverages hierarchical embeddings. FedNODE incorporates personalized, pseudo-generic, and fusion embeddings to facilitate hierarchical information representation. We utilize a hypernetwork based on neural ordinary differential equations (ODEs) within the server to generate backbone parameters for different clients, enabling the creation of personalized embeddings. Additionally, we introduce a pseudo-generic embedding based on a learnable vector to balance personalized and generic information. A neural ODE-based network follows the backbone module for each client, integrating personalized and pseudo-generic embeddings. To validate the efficacy of FedNODE, we conduct extensive evaluations across various classification datasets, encompassing diverse statistically heterogeneous settings and noisy scenarios. The results demonstrate that FedNODE achieves state-of-the-art performance.

The use of neural differential equation models in machine learning applications has gained significant traction in recent years. In particular, fractional differential equations (FDEs) have emerged as a powerful tool for capturing complex dynamics in various domains. 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.

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 dynamic 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.

The integration of multi-omics data has emerged as a powerful approach to elucidate interactions across different biological levels. However, throughput limitations and high costs of sequencing technologies often result in sparse multi-omics datasets, where only a subset of samples contains complete omics profiles - a challenge known as the “block missing”. To address this challenge, we propose OmiImp, a novel computational framework based on an improved generative adversarial network (GAN) for cross-omics data imputation. Through performance evaluation on independent datasets, we demonstrate that OmiImp outperforms existing state-of-the-art imputation methods while maintaining stable performance across different missing rates. In addition, we perform enrichment analysis and the results demonstrate that differential expressed features are uniformly distributed across pathways, and the synthetic data retains utility in diverse prognostic analyses. Collectively, this methodological advancement facilitates more reliable multi-omics integration studies, particularly when handling incomplete datasets.

Many works on graph neural networks (GNNs) focus on graph topologies and analyze graph-related operations to enhance performance on tasks such as node classification. In this paper, we propose to understand GNNs based on a feature-centric approach. Our main idea is to treat the features of nodes from each label class as a whole, from which we can identify the centroid. The convex hull of these centroids forms a simplex called the feature centroid simplex, where a simplex is a high-dimensional generalization of a triangle. We borrow ideas from coarse geometry to analyze the geometric properties of the feature centroid simplex by comparing them with basic geometric models, such as regular simplexes and degenerate simplexes. Such a simplex provides a simple platform to understand graph-based feature aggregation, including phenomena such as heterophily, oversmoothing, and feature re-shuffling. Based on the theory, we also identify simple and useful tricks for the node classification task.

MiRNAs play an important role in the occurrence and development of human disease. Identifying potential miRNA-disease associations is valuable for disease diagnosis and treatment. Therefore, it is urgent to develop efficient computational methods for predicting potential miRNA-disease associations to reduce the cost and time associated with biological wet experiments. In addition, high-quality feature representation remains a challenge for miRNA-disease association prediction using graph neural network methods. In this paper, we propose a method named ESGC-MDA, which employs an enhanced Simple Graph Convolution Network to identify miRNA-disease associations. We first construct a bipartite attributed graph for miRNAs and diseases by computing multi-source similarity. Then, we enhance the feature representations of miRNA and disease nodes by applying two strategies in the simple convolution network, which include randomly dropping messages during propagation to ensure the model learns more reliable feature representations, and using adaptive weighting to aggregate features from different layers. Finally, we calculate the prediction scores of miRNA-disease pairs by using a fully connected neural network decoder. We conduct 5-fold cross-validation and 10-fold cross-validation on HDMM v2.0 and HMDD v3.2, respectively, and ESGC-MDA achieves better performance than state-of-the-art baseline methods. The case studies for cardiovascular disease, lung cancer and colon cancer also further confirm the effectiveness of ESGC-MDA.

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.

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.

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

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}.

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}.

In urban areas with tall buildings and narrow streets, signal distortions from multipath and non-line-of-sight (NLOS) conditions significantly affect the localization accuracy using Long-Term Evolution (LTE) signals. To address these limitations and improve localization accuracy, we propose a teacher-student transfer learning framework based on graph neural network (GNN), utilizing LTE networks and receiver arrays. For the challenges of limited real data, our proposed model can effectively improve performance through fine-tuning with a generated synthetic dataset. Experimental findings validate the efficacy of our method, showcasing significant accuracy improvements of 41.3% and 53.3% for synthetic and real data, respectively, compared to existing techniques. Our approach outperforms conventional localization methods and alternative machine learning models, emphasizing its superior performance.

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.

Place recognition plays a crucial role in the fields of robotics and computer vision, finding applications in areas such as autonomous driving, mapping, and localization. Place recognition identifies a place using query sensor data and a known database. One of the main challenges is to develop a model that can deliver accurate results while being robust to environmental variations. We propose two multi-modal place recognition models, namely PRFusion and PRFusion++. PRFusion utilizes global fusion with manifold metric attention, enabling effective interaction between features without requiring camera-LiDAR extrinsic calibrations. In contrast, PRFusion++ assumes the availability of extrinsic calibrations and leverages pixel-point correspondences to enhance feature learning on local windows. Additionally, both models incorporate neural diffusion layers, which enable reliable operation even in challenging environments. We verify the state-of-the-art performance of both models on three large-scale benchmarks. Notably, they outperform existing models by a substantial margin of +3.0 AR@1 on the demanding Boreas dataset. Furthermore, we conduct ablation studies to validate the effectiveness of our proposed methods.

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 back-bones 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

Image matching identifies matching street landmark patches between the images captured by a vehicular camera and those stored in a database. Applications include autonomous driving perception and localization. However, in practical scenarios, challenging conditions such as changing weather, illumination, and dynamic objects result in perturbations of the captured images, leading to inaccurate matching. To achieve robust landmark patch matching, we present a method, named GRAND-Mat, which leverages a neural diffusion over graph embeddings to counteract perturbations. We first extract high-dimensional features of landmark patches using a ResNet. Then, we utilize graph neural diffusion models to aggregate the self and cross-graph information from these features. Furthermore, we apply feature similarity learning to acquire the final matching score. We evaluate the performance of our model on a street scene dataset, which demonstrates state-of-the-art matching performance under additive perturbations.

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.

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 https://github.com/zknus/Hamiltonian-GNN.

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 https://github.com/zknus/Graph-Diffusion-CDE.

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 \url{https://github.com/zknus/NeurIPS-2023-HANG-Robustness}.

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.

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.

To facilitate 5G-based positioning applications, Release 16 of the 3GPP 5G standard has defined the Positioning Reference Signal (PRS), which can be used to measure Time of Arrival (TOA) for downlink positioning. However, Orthogonal Frequency Division Multiplexing (OFDM) signals are sensitive and vulnerable to synchronization errors. Moreover, the highly configurable 5G PRS in Release 16 calls for a unique allocation pattern on the subcarriers. Existing timing recovery methods that have been employed for reference signals, which are evenly inserted in the subcarrier symbols, may not perform well. To solve the timing recovery issue of the OFDM signal through 5G standard-compliant PRS, we propose a three-stage timing recovery scheme. We use the 5G PRS as pilot symbols to estimate the path time delay and complete receiver sampling clock synchronization. We propose a generalized path time delay estimation method that can correct timing errors larger than one sample. In addition, we incorporate a delay-locked loop (DLL) that can track the PRS code-phase when the phase errors are within one sample, which showcases the precise positioning possible with a standard-compliant 5G New Radio (NR) signal.