Research on the theoretical expressiveness of Graph Neural Networks (GNNs) has developed rapidly, and many methods have been proposed to enhance the expressiveness. However, most methods do not have a uniform expressiveness measure except for a few that strictly follow the $k$-dimensional Weisfeiler-Lehman ($k$-WL) test hierarchy. Their theoretical analyses are often limited to distinguishing certain families of non-isomorphic graphs, leading to difficulties in quantitatively comparing their expressiveness. In contrast to theoretical analysis, another way to measure expressiveness is by evaluating model performance on certain datasets containing 1-WL-indistinguishable graphs. Previous datasets specifically designed for this purpose, however, face problems with difficulty (any model surpassing 1-WL has nearly 100% accuracy), granularity (models tend to be either 100% correct or near random guess), and scale (only a few essentially different graphs in each dataset). To address these limitations, we propose a new expressiveness dataset, $\textbf{BREC}$, which includes 400 pairs of non-isomorphic graphs carefully selected from four primary categories (Basic, Regular, Extension, and CFI). These graphs have higher difficulty (up to 4-WL-indistinguishable), finer granularity (able to compare models between 1-WL and 3-WL), and a larger scale (400 pairs). Further, we synthetically test 23 models with higher-than-1-WL expressiveness on our BREC dataset. Our experiment gives the first thorough comparison of the expressiveness of those state-of-the-art beyond-1-WL GNN models. We expect this dataset to serve as a benchmark for testing the expressiveness of future GNNs. Our dataset and evaluation code are released at: //github.com/GraphPKU/BREC.
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Since thermal imagery offers a unique modality to investigate pain, the U.S. National Institutes of Health (NIH) has collected a large and diverse set of cancer patient facial thermograms for AI-based pain research. However, differing angles from camera capture between thermal and visible sensors has led to misalignment between Visible-Thermal (VT) images. We modernize the classic computer vision task of image registration by applying and modifying a generative alignment algorithm to register VT cancer faces, without the need for a reference or alignment parameters. By registering VT faces, we demonstrate that the quality of thermal images produced in the generative AI downstream task of Visible-to-Thermal (V2T) image translation significantly improves up to 52.5\%, than without registration. Images in this paper have been approved by the NIH NCI for public dissemination.
PDDLStream solvers have recently emerged as viable solutions for Task and Motion Planning (TAMP) problems, extending PDDL to problems with continuous action spaces. Prior work has shown how PDDLStream problems can be reduced to a sequence of PDDL planning problems, which can then be solved using off-the-shelf planners. However, this approach can suffer from long runtimes. In this paper we propose LAZY, a solver for PDDLStream problems that maintains a single integrated search over action skeletons, which gets progressively more geometrically informed, as samples of possible motions are lazily drawn during motion planning. We explore how learned models of goal-directed policies and current motion sampling data can be incorporated in LAZY to adaptively guide the task planner. We show that this leads to significant speed-ups in the search for a feasible solution evaluated over unseen test environments of varying numbers of objects, goals, and initial conditions. We evaluate our TAMP approach by comparing to existing solvers for PDDLStream problems on a range of simulated 7DoF rearrangement/manipulation problems.
Bayesian classifiers perform well when each of the features is completely independent of the other which is not always valid in real world application. The aim of this study is to implement and compare the performances of each variant of Bayesian classifier (Multinomial, Bernoulli, and Gaussian) on anomaly detection in network intrusion, and to investigate whether there is any association between each variant assumption and their performance. Our investigation showed that each variant of Bayesian algorithm blindly follows its assumption regardless of feature property, and that the assumption is the single most important factor that influences their accuracy. Experimental results show that Bernoulli has accuracy of 69.9% test (71% train), Multinomial has accuracy of 31.2% test (31.2% train), while Gaussian has accuracy of 81.69% test (82.84% train). Going deeper, we investigated and found that each Naive Bayes variants performances and accuracy is largely due to each classifier assumption, Gaussian classifier performed best on anomaly detection due to its assumption that features follow normal distributions which are continuous, while multinomial classifier have a dismal performance as it simply assumes discreet and multinomial distribution.
Large Language Models (LLMs) have drawn widespread attention and research due to their astounding performance in tasks such as text generation and reasoning. Derivative products, like ChatGPT, have been extensively deployed and highly sought after. Meanwhile, the evaluation and optimization of LLMs in software engineering tasks, such as code generation, have become a research focus. However, there is still a lack of systematic research on the application and evaluation of LLMs in the field of software engineering. Therefore, this paper is the first to comprehensively investigate and collate the research and products combining LLMs with software engineering, aiming to answer two questions: (1) What are the current integrations of LLMs with software engineering? (2) Can LLMs effectively handle software engineering tasks? To find the answers, we have collected related literature as extensively as possible from seven mainstream databases, and selected 123 papers for analysis. We have categorized these papers in detail and reviewed the current research status of LLMs from the perspective of seven major software engineering tasks, hoping this will help researchers better grasp the research trends and address the issues when applying LLMs. Meanwhile, we have also organized and presented papers with evaluation content to reveal the performance and effectiveness of LLMs in various software engineering tasks, providing guidance for researchers and developers to optimize.
Canonical Correlation Analysis (CCA) is a method for analyzing pairs of random vectors; it learns a sequence of paired linear transformations such that the resultant canonical variates are maximally correlated within pairs while uncorrelated across pairs. CCA outputs both canonical correlations as well as the canonical directions which define the transformations. While inference for canonical correlations is well developed, conducting inference for canonical directions is more challenging and not well-studied, but is key to interpretability. We propose a computational bootstrap method (combootcca) for inference on CCA directions. We conduct thorough simulation studies that range from simple and well-controlled to complex but realistic and validate the statistical properties of combootcca while comparing it to several competitors. We also apply the combootcca method to a brain imaging dataset and discover linked patterns in brain connectivity and behavioral scores.
We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.
Graph Neural Networks (GNNs) have been studied from the lens of expressive power and generalization. However, their optimization properties are less well understood. We take the first step towards analyzing GNN training by studying the gradient dynamics of GNNs. First, we analyze linearized GNNs and prove that despite the non-convexity of training, convergence to a global minimum at a linear rate is guaranteed under mild assumptions that we validate on real-world graphs. Second, we study what may affect the GNNs' training speed. Our results show that the training of GNNs is implicitly accelerated by skip connections, more depth, and/or a good label distribution. Empirical results confirm that our theoretical results for linearized GNNs align with the training behavior of nonlinear GNNs. Our results provide the first theoretical support for the success of GNNs with skip connections in terms of optimization, and suggest that deep GNNs with skip connections would be promising in practice.
Incompleteness is a common problem for existing knowledge graphs (KGs), and the completion of KG which aims to predict links between entities is challenging. Most existing KG completion methods only consider the direct relation between nodes and ignore the relation paths which contain useful information for link prediction. Recently, a few methods take relation paths into consideration but pay less attention to the order of relations in paths which is important for reasoning. In addition, these path-based models always ignore nonlinear contributions of path features for link prediction. To solve these problems, we propose a novel KG completion method named OPTransE. Instead of embedding both entities of a relation into the same latent space as in previous methods, we project the head entity and the tail entity of each relation into different spaces to guarantee the order of relations in the path. Meanwhile, we adopt a pooling strategy to extract nonlinear and complex features of different paths to further improve the performance of link prediction. Experimental results on two benchmark datasets show that the proposed model OPTransE performs better than state-of-the-art methods.
Deep Convolutional Neural Networks (CNNs) are a special type of Neural Networks, which have shown state-of-the-art results on various competitive benchmarks. The powerful learning ability of deep CNN is largely achieved with the use of multiple non-linear feature extraction stages that can automatically learn hierarchical representation from the data. Availability of a large amount of data and improvements in the hardware processing units have accelerated the research in CNNs and recently very interesting deep CNN architectures are reported. The recent race in deep CNN architectures for achieving high performance on the challenging benchmarks has shown that the innovative architectural ideas, as well as parameter optimization, can improve the CNN performance on various vision-related tasks. In this regard, different ideas in the CNN design have been explored such as use of different activation and loss functions, parameter optimization, regularization, and restructuring of processing units. However, the major improvement in representational capacity is achieved by the restructuring of the processing units. Especially, the idea of using a block as a structural unit instead of a layer is gaining substantial appreciation. This survey thus focuses on the intrinsic taxonomy present in the recently reported CNN architectures and consequently, classifies the recent innovations in CNN architectures into seven different categories. These seven categories are based on spatial exploitation, depth, multi-path, width, feature map exploitation, channel boosting and attention. Additionally, it covers the elementary understanding of the CNN components and sheds light on the current challenges and applications of CNNs.
Deep Convolutional Neural Networks have pushed the state-of-the art for semantic segmentation provided that a large amount of images together with pixel-wise annotations is available. Data collection is expensive and a solution to alleviate it is to use transfer learning. This reduces the amount of annotated data required for the network training but it does not get rid of this heavy processing step. We propose a method of transfer learning without annotations on the target task for datasets with redundant content and distinct pixel distributions. Our method takes advantage of the approximate content alignment of the images between two datasets when the approximation error prevents the reuse of annotation from one dataset to another. Given the annotations for only one dataset, we train a first network in a supervised manner. This network autonomously learns to generate deep data representations relevant to the semantic segmentation. Then the images in the new dataset, we train a new network to generate a deep data representation that matches the one from the first network on the previous dataset. The training consists in a regression between feature maps and does not require any annotations on the new dataset. We show that this method reaches performances similar to a classic transfer learning on the PASCAL VOC dataset with synthetic transformations.
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