Training recurrent neural networks (RNNs) remains a challenge due to the instability of gradients across long time horizons, which can lead to exploding and vanishing gradients. Recent research has linked these problems to the values of Lyapunov exponents for the forward-dynamics, which describe the growth or shrinkage of infinitesimal perturbations. Here, we propose gradient flossing, a novel approach to tackling gradient instability by pushing Lyapunov exponents of the forward dynamics toward zero during learning. We achieve this by regularizing Lyapunov exponents through backpropagation using differentiable linear algebra. This enables us to "floss" the gradients, stabilizing them and thus improving network training. We demonstrate that gradient flossing controls not only the gradient norm but also the condition number of the long-term Jacobian, facilitating multidimensional error feedback propagation. We find that applying gradient flossing prior to training enhances both the success rate and convergence speed for tasks involving long time horizons. For challenging tasks, we show that gradient flossing during training can further increase the time horizon that can be bridged by backpropagation through time. Moreover, we demonstrate the effectiveness of our approach on various RNN architectures and tasks of variable temporal complexity. Additionally, we provide a simple implementation of our gradient flossing algorithm that can be used in practice. Our results indicate that gradient flossing via regularizing Lyapunov exponents can significantly enhance the effectiveness of RNN training and mitigate the exploding and vanishing gradient problem.
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Neural fields, coordinate-based neural networks, have recently gained popularity for implicitly representing a scene. In contrast to classical methods that are based on explicit representations such as point clouds, neural fields provide a continuous scene representation able to represent 3D geometry and appearance in a way which is compact and ideal for robotics applications. However, limited prior methods have investigated registering multiple neural fields by directly utilising these continuous implicit representations. In this paper, we present Reg-NF, a neural fields-based registration that optimises for the relative 6-DoF transformation between two arbitrary neural fields, even if those two fields have different scale factors. Key components of Reg-NF include a bidirectional registration loss, multi-view surface sampling, and utilisation of volumetric signed distance functions (SDFs). We showcase our approach on a new neural field dataset for evaluating registration problems. We provide an exhaustive set of experiments and ablation studies to identify the performance of our approach, while also discussing limitations to provide future direction to the research community on open challenges in utilizing neural fields in unconstrained environments.
Deep neural networks are extensively applied to real-world tasks, such as face recognition and medical image classification, where privacy and data protection are critical. Image data, if not protected, can be exploited to infer personal or contextual information. Existing privacy preservation methods, like encryption, generate perturbed images that are unrecognizable to even humans. Adversarial attack approaches prohibit automated inference even for authorized stakeholders, limiting practical incentives for commercial and widespread adaptation. This pioneering study tackles an unexplored practical privacy preservation use case by generating human-perceivable images that maintain accurate inference by an authorized model while evading other unauthorized black-box models of similar or dissimilar objectives, and addresses the previous research gaps. The datasets employed are ImageNet, for image classification, Celeba-HQ dataset, for identity classification, and AffectNet, for emotion classification. Our results show that the generated images can successfully maintain the accuracy of a protected model and degrade the average accuracy of the unauthorized black-box models to 11.97%, 6.63%, and 55.51% on ImageNet, Celeba-HQ, and AffectNet datasets, respectively.
Graph neural networks (GNNs) have exhibited remarkable performance under the assumption that test data comes from the same distribution of training data. However, in real-world scenarios, this assumption may not always be valid. Consequently, there is a growing focus on exploring the Out-of-Distribution (OOD) problem in the context of graphs. Most existing efforts have primarily concentrated on improving graph OOD generalization from two \textbf{model-agnostic} perspectives: data-driven methods and strategy-based learning. However, there has been limited attention dedicated to investigating the impact of well-known \textbf{GNN model architectures} on graph OOD generalization, which is orthogonal to existing research. In this work, we provide the first comprehensive investigation of OOD generalization on graphs from an architecture perspective, by examining the common building blocks of modern GNNs. Through extensive experiments, we reveal that both the graph self-attention mechanism and the decoupled architecture contribute positively to graph OOD generalization. In contrast, we observe that the linear classification layer tends to compromise graph OOD generalization capability. Furthermore, we provide in-depth theoretical insights and discussions to underpin these discoveries. These insights have empowered us to develop a novel GNN backbone model, DGAT, designed to harness the robust properties of both graph self-attention mechanism and the decoupled architecture. Extensive experimental results demonstrate the effectiveness of our model under graph OOD, exhibiting substantial and consistent enhancements across various training strategies.
Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.
Graph neural networks (GNNs) have demonstrated a significant boost in prediction performance on graph data. At the same time, the predictions made by these models are often hard to interpret. In that regard, many efforts have been made to explain the prediction mechanisms of these models from perspectives such as GNNExplainer, XGNN and PGExplainer. Although such works present systematic frameworks to interpret GNNs, a holistic review for explainable GNNs is unavailable. In this survey, we present a comprehensive review of explainability techniques developed for GNNs. We focus on explainable graph neural networks and categorize them based on the use of explainable methods. We further provide the common performance metrics for GNNs explanations and point out several future research directions.
Graph neural networks (GNNs) have emerged as a series of competent graph learning methods for diverse real-world scenarios, ranging from daily applications like recommendation systems and question answering to cutting-edge technologies such as drug discovery in life sciences and n-body simulation in astrophysics. However, task performance is not the only requirement for GNNs. Performance-oriented GNNs have exhibited potential adverse effects like vulnerability to adversarial attacks, unexplainable discrimination against disadvantaged groups, or excessive resource consumption in edge computing environments. To avoid these unintentional harms, it is necessary to build competent GNNs characterised by trustworthiness. To this end, we propose a comprehensive roadmap to build trustworthy GNNs from the view of the various computing technologies involved. In this survey, we introduce basic concepts and comprehensively summarise existing efforts for trustworthy GNNs from six aspects, including robustness, explainability, privacy, fairness, accountability, and environmental well-being. Additionally, we highlight the intricate cross-aspect relations between the above six aspects of trustworthy GNNs. Finally, we present a thorough overview of trending directions for facilitating the research and industrialisation of trustworthy GNNs.
Graph neural networks generalize conventional neural networks to graph-structured data and have received widespread attention due to their impressive representation ability. In spite of the remarkable achievements, the performance of Euclidean models in graph-related learning is still bounded and limited by the representation ability of Euclidean geometry, especially for datasets with highly non-Euclidean latent anatomy. Recently, hyperbolic space has gained increasing popularity in processing graph data with tree-like structure and power-law distribution, owing to its exponential growth property. In this survey, we comprehensively revisit the technical details of the current hyperbolic graph neural networks, unifying them into a general framework and summarizing the variants of each component. More importantly, we present various HGNN-related applications. Last, we also identify several challenges, which potentially serve as guidelines for further flourishing the achievements of graph learning in hyperbolic spaces.
Deep neural networks (DNNs) are successful in many computer vision tasks. However, the most accurate DNNs require millions of parameters and operations, making them energy, computation and memory intensive. This impedes the deployment of large DNNs in low-power devices with limited compute resources. Recent research improves DNN models by reducing the memory requirement, energy consumption, and number of operations without significantly decreasing the accuracy. This paper surveys the progress of low-power deep learning and computer vision, specifically in regards to inference, and discusses the methods for compacting and accelerating DNN models. The techniques can be divided into four major categories: (1) parameter quantization and pruning, (2) compressed convolutional filters and matrix factorization, (3) network architecture search, and (4) knowledge distillation. We analyze the accuracy, advantages, disadvantages, and potential solutions to the problems with the techniques in each category. We also discuss new evaluation metrics as a guideline for future research.
Deep convolutional neural networks (CNNs) have recently achieved great success in many visual recognition tasks. However, existing deep neural network models are computationally expensive and memory intensive, hindering their deployment in devices with low memory resources or in applications with strict latency requirements. Therefore, a natural thought is to perform model compression and acceleration in deep networks without significantly decreasing the model performance. During the past few years, tremendous progress has been made in this area. In this paper, we survey the recent advanced techniques for compacting and accelerating CNNs model developed. These techniques are roughly categorized into four schemes: parameter pruning and sharing, low-rank factorization, transferred/compact convolutional filters, and knowledge distillation. Methods of parameter pruning and sharing will be described at the beginning, after that the other techniques will be introduced. For each scheme, we provide insightful analysis regarding the performance, related applications, advantages, and drawbacks etc. Then we will go through a few very recent additional successful methods, for example, dynamic capacity networks and stochastic depths networks. After that, we survey the evaluation matrix, the main datasets used for evaluating the model performance and recent benchmarking efforts. Finally, we conclude this paper, discuss remaining challenges and possible directions on this topic.
Small data challenges have emerged in many learning problems, since the success of deep neural networks often relies on the availability of a huge amount of labeled data that is expensive to collect. To address it, many efforts have been made on training complex models with small data in an unsupervised and semi-supervised fashion. In this paper, we will review the recent progresses on these two major categories of methods. A wide spectrum of small data models will be categorized in a big picture, where we will show how they interplay with each other to motivate explorations of new ideas. We will review the criteria of learning the transformation equivariant, disentangled, self-supervised and semi-supervised representations, which underpin the foundations of recent developments. Many instantiations of unsupervised and semi-supervised generative models have been developed on the basis of these criteria, greatly expanding the territory of existing autoencoders, generative adversarial nets (GANs) and other deep networks by exploring the distribution of unlabeled data for more powerful representations. While we focus on the unsupervised and semi-supervised methods, we will also provide a broader review of other emerging topics, from unsupervised and semi-supervised domain adaptation to the fundamental roles of transformation equivariance and invariance in training a wide spectrum of deep networks. It is impossible for us to write an exclusive encyclopedia to include all related works. Instead, we aim at exploring the main ideas, principles and methods in this area to reveal where we are heading on the journey towards addressing the small data challenges in this big data era.
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