Proposed as a solution to the inherent black-box limitations of graph neural networks (GNNs), post-hoc GNN explainers aim to provide precise and insightful explanations of the behaviours exhibited by trained GNNs. Despite their recent notable advancements in academic and industrial contexts, the robustness of post-hoc GNN explainers remains unexplored when confronted with label noise. To bridge this gap, we conduct a systematic empirical investigation to evaluate the efficacy of diverse post-hoc GNN explainers under varying degrees of label noise. Our results reveal several key insights: Firstly, post-hoc GNN explainers are susceptible to label perturbations. Secondly, even minor levels of label noise, inconsequential to GNN performance, harm the quality of generated explanations substantially. Lastly, we engage in a discourse regarding the progressive recovery of explanation effectiveness with escalating noise levels.
Part-prototype networks (e.g., ProtoPNet, ProtoTree, and ProtoPool) have attracted broad research interest for their intrinsic interpretability and comparable accuracy to non-interpretable counterparts. However, recent works find that the interpretability from prototypes is fragile, due to the semantic gap between the similarities in the feature space and that in the input space. In this work, we strive to address this challenge by making the first attempt to quantitatively and objectively evaluate the interpretability of the part-prototype networks. Specifically, we propose two evaluation metrics, termed as consistency score and stability score, to evaluate the explanation consistency across images and the explanation robustness against perturbations, respectively, both of which are essential for explanations taken into practice. Furthermore, we propose an elaborated part-prototype network with a shallow-deep feature alignment (SDFA) module and a score aggregation (SA) module to improve the interpretability of prototypes. We conduct systematical evaluation experiments and provide substantial discussions to uncover the interpretability of existing part-prototype networks. Experiments on three benchmarks across nine architectures demonstrate that our model achieves significantly superior performance to the state of the art, in both the accuracy and interpretability. Our code is available at //github.com/hqhQAQ/EvalProtoPNet.
Typical Convolutional Neural Networks (ConvNets) depend heavily on large amounts of image data and resort to an iterative optimization algorithm (e.g., SGD or Adam) to learn network parameters, which makes training very time- and resource-intensive. In this paper, we propose a new training paradigm and formulate the parameter learning of ConvNets into a prediction task: given a ConvNet architecture, we observe there exists correlations between image datasets and their corresponding optimal network parameters, and explore if we can learn a hyper-mapping between them to capture the relations, such that we can directly predict the parameters of the network for an image dataset never seen during the training phase. To do this, we put forward a new hypernetwork based model, called PudNet, which intends to learn a mapping between datasets and their corresponding network parameters, and then predicts parameters for unseen data with only a single forward propagation. Moreover, our model benefits from a series of adaptive hyper recurrent units sharing weights to capture the dependencies of parameters among different network layers. Extensive experiments demonstrate that our proposed method achieves good efficacy for unseen image datasets on two kinds of settings: Intra-dataset prediction and Inter-dataset prediction. Our PudNet can also well scale up to large-scale datasets, e.g., ImageNet-1K. It takes 8967 GPU seconds to train ResNet-18 on the ImageNet-1K using GC from scratch and obtain a top-5 accuracy of 44.65 %. However, our PudNet costs only 3.89 GPU seconds to predict the network parameters of ResNet-18 achieving comparable performance (44.92 %), more than 2,300 times faster than the traditional training paradigm.
With the advent of 5G era, factories are transitioning towards wireless networks to break free from the limitations of wired networks. In 5G-enabled factories, unmanned automatic devices such as automated guided vehicles and robotic arms complete production tasks cooperatively through the periodic control loops. In such loops, the sensing data is generated by sensors, and transmitted to the control center through uplink wireless communications. The corresponding control commands are generated and sent back to the devices through downlink wireless communications. Since wireless communications, sensing and control are tightly coupled, there are big challenges on the modeling and design of such closed-loop systems. In particular, existing theoretical tools of these functionalities have different modelings and underlying assumptions, which make it difficult for them to collaborate with each other. Therefore, in this paper, an analytical closed-loop model is proposed, where the performances and resources of communication, sensing and control are deeply related. To achieve the optimal control performance, a co-design of communication resource allocation and control method is proposed, inspired by the model predictive control algorithm. Numerical results are provided to demonstrate the relationships between the resources and control performances.
Graph neural networks (GNNs) are widely used for modeling complex interactions between entities represented as vertices of a graph. Despite recent efforts to theoretically analyze the expressive power of GNNs, a formal characterization of their ability to model interactions is lacking. The current paper aims to address this gap. Formalizing strength of interactions through an established measure known as separation rank, we quantify the ability of certain GNNs to model interaction between a given subset of vertices and its complement, i.e. between the sides of a given partition of input vertices. Our results reveal that the ability to model interaction is primarily determined by the partition's walk index -- a graph-theoretical characteristic defined by the number of walks originating from the boundary of the partition. Experiments with common GNN architectures corroborate this finding. As a practical application of our theory, we design an edge sparsification algorithm named Walk Index Sparsification (WIS), which preserves the ability of a GNN to model interactions when input edges are removed. WIS is simple, computationally efficient, and in our experiments has markedly outperformed alternative methods in terms of induced prediction accuracy. More broadly, it showcases the potential of improving GNNs by theoretically analyzing the interactions they can model.
Accurate uncertainty quantification in graph neural networks (GNNs) is essential, especially in high-stakes domains where GNNs are frequently employed. Conformal prediction (CP) offers a promising framework for quantifying uncertainty by providing $\textit{valid}$ prediction sets for any black-box model. CP ensures formal probabilistic guarantees that a prediction set contains a true label with a desired probability. However, the size of prediction sets, known as $\textit{inefficiency}$, is influenced by the underlying model and data generating process. On the other hand, Bayesian learning also provides a credible region based on the estimated posterior distribution, but this region is $\textit{well-calibrated}$ only when the model is correctly specified. Building on a recent work that introduced a scaling parameter for constructing valid credible regions from posterior estimate, our study explores the advantages of incorporating a temperature parameter into Bayesian GNNs within CP framework. We empirically demonstrate the existence of temperatures that result in more efficient prediction sets. Furthermore, we conduct an analysis to identify the factors contributing to inefficiency and offer valuable insights into the relationship between CP performance and model calibration.
Stochastic gradients closely relate to both optimization and generalization of deep neural networks (DNNs). Some works attempted to explain the success of stochastic optimization for deep learning by the arguably heavy-tail properties of gradient noise, while other works presented theoretical and empirical evidence against the heavy-tail hypothesis on gradient noise. Unfortunately, formal statistical tests for analyzing the structure and heavy tails of stochastic gradients in deep learning are still under-explored. In this paper, we mainly make two contributions. First, we conduct formal statistical tests on the distribution of stochastic gradients and gradient noise across both parameters and iterations. Our statistical tests reveal that dimension-wise gradients usually exhibit power-law heavy tails, while iteration-wise gradients and stochastic gradient noise caused by minibatch training usually do not exhibit power-law heavy tails. Second, we further discover that the covariance spectra of stochastic gradients have the power-law structures overlooked by previous studies and present its theoretical implications for training of DNNs. While previous studies believed that the anisotropic structure of stochastic gradients matters to deep learning, they did not expect the gradient covariance can have such an elegant mathematical structure. Our work challenges the existing belief and provides novel insights on the structure of stochastic gradients in deep learning.
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.
One principal approach for illuminating a black-box neural network is feature attribution, i.e. identifying the importance of input features for the network's prediction. The predictive information of features is recently proposed as a proxy for the measure of their importance. So far, the predictive information is only identified for latent features by placing an information bottleneck within the network. We propose a method to identify features with predictive information in the input domain. The method results in fine-grained identification of input features' information and is agnostic to network architecture. The core idea of our method is leveraging a bottleneck on the input that only lets input features associated with predictive latent features pass through. We compare our method with several feature attribution methods using mainstream feature attribution evaluation experiments. The code is publicly available.
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.