This work provides a theoretical framework for assessing the generalization error of graph classification tasks via graph neural networks in the over-parameterized regime, where the number of parameters surpasses the quantity of data points. We explore two widely utilized types of graph neural networks: graph convolutional neural networks and message passing graph neural networks. Prior to this study, existing bounds on the generalization error in the over-parametrized regime were uninformative, limiting our understanding of over-parameterized network performance. Our novel approach involves deriving upper bounds within the mean-field regime for evaluating the generalization error of these graph neural networks. We establish upper bounds with a convergence rate of $O(1/n)$, where $n$ is the number of graph samples. These upper bounds offer a theoretical assurance of the networks' performance on unseen data in the challenging over-parameterized regime and overall contribute to our understanding of their performance.
相關內容
We develop a nonparametric Bayesian modeling approach to ordinal regression based on priors placed directly on the discrete distribution of the ordinal responses. The prior probability models are built from a structured mixture of multinomial distributions. We leverage a continuation-ratio logits representation to formulate the mixture kernel, with mixture weights defined through the logit stick-breaking process that incorporates the covariates through a linear function. The implied regression functions for the response probabilities can be expressed as weighted sums of parametric regression functions, with covariate-dependent weights. Thus, the modeling approach achieves flexible ordinal regression relationships, avoiding linearity or additivity assumptions in the covariate effects. Model flexibility is formally explored through the Kullback-Leibler support of the prior probability model. A key model feature is that the parameters for both the mixture kernel and the mixture weights can be associated with a continuation-ratio logits regression structure. Hence, an efficient and relatively easy to implement posterior simulation method can be designed, using P\'olya-Gamma data augmentation. Moreover, the model is built from a conditional independence structure for category-specific parameters, which results in additional computational efficiency gains through partial parallel sampling. In addition to the general mixture structure, we study simplified model versions that incorporate covariate dependence only in the mixture kernel parameters or only in the mixture weights. For all proposed models, we discuss approaches to prior specification and develop Markov chain Monte Carlo methods for posterior simulation. The methodology is illustrated with several synthetic and real data examples.
This work discusses the benefits of having multiple simulated environments with different degrees of realism for the development of algorithms in scenarios populated by autonomous nodes capable of communication and mobility. This approach aids the development experience and generates robust algorithms. It also proposes GrADyS-SIM NextGen as a solution that enables development on a single programming language and toolset over multiple environments with varying levels of realism. Finally, we illustrate the usefulness of this approach with a toy problem that makes use of the simulation framework, taking advantage of the proposed environments to iteratively develop a robust solution.
We present a general framework for applying learning algorithms and heuristical guidance to the verification of Markov decision processes (MDPs). The primary goal of our techniques is to improve performance by avoiding an exhaustive exploration of the state space, instead focussing on particularly relevant areas of the system, guided by heuristics. Our work builds on the previous results of Br{\'{a}}zdil et al., significantly extending it as well as refining several details and fixing errors. The presented framework focuses on probabilistic reachability, which is a core problem in verification, and is instantiated in two distinct scenarios. The first assumes that full knowledge of the MDP is available, in particular precise transition probabilities. It performs a heuristic-driven partial exploration of the model, yielding precise lower and upper bounds on the required probability. The second tackles the case where we may only sample the MDP without knowing the exact transition dynamics. Here, we obtain probabilistic guarantees, again in terms of both the lower and upper bounds, which provides efficient stopping criteria for the approximation. In particular, the latter is an extension of statistical model-checking (SMC) for unbounded properties in MDPs. In contrast to other related approaches, we do not restrict our attention to time-bounded (finite-horizon) or discounted properties, nor assume any particular structural properties of the MDP.
As machine learning tasks continue to evolve, the trend has been to gather larger datasets and train increasingly larger models. While this has led to advancements in accuracy, it has also escalated computational costs to unsustainable levels. Addressing this, our work aims to strike a delicate balance between computational efficiency and model accuracy, a persisting challenge in the field. We introduce a novel method that employs core subset selection for reweighting, effectively optimizing both computational time and model performance. By focusing on a strategically selected coreset, our approach offers a robust representation, as it efficiently minimizes the influence of outliers. The re-calibrated weights are then mapped back to and propagated across the entire dataset. Our experimental results substantiate the effectiveness of this approach, underscoring its potential as a scalable and precise solution for model training.
This research focuses on developing reinforcement learning approaches for the locomotion generation of small-size quadruped robots. The rat robot NeRmo is employed as the experimental platform. Due to the constrained volume, small-size quadruped robots typically possess fewer and weaker sensors, resulting in difficulty in accurately perceiving and responding to environmental changes. In this context, insufficient and imprecise feedback data from sensors makes it difficult to generate adaptive locomotion based on reinforcement learning. To overcome these challenges, this paper proposes a novel reinforcement learning approach that focuses on extracting effective perceptual information to enhance the environmental adaptability of small-size quadruped robots. According to the frequency of a robot's gait stride, key information of sensor data is analyzed utilizing sinusoidal functions derived from Fourier transform results. Additionally, a multifunctional reward mechanism is proposed to generate adaptive locomotion in different tasks. Extensive simulations are conducted to assess the effectiveness of the proposed reinforcement learning approach in generating rat robot locomotion in various environments. The experiment results illustrate the capability of the proposed approach to maintain stable locomotion of a rat robot across different terrains, including ramps, stairs, and spiral stairs.
Knowledge graph reasoning (KGR), aiming to deduce new facts from existing facts based on mined logic rules underlying knowledge graphs (KGs), has become a fast-growing research direction. It has been proven to significantly benefit the usage of KGs in many AI applications, such as question answering and recommendation systems, etc. According to the graph types, the existing KGR models can be roughly divided into three categories, \textit{i.e.,} static models, temporal models, and multi-modal models. The early works in this domain mainly focus on static KGR and tend to directly apply general knowledge graph embedding models to the reasoning task. However, these models are not suitable for more complex but practical tasks, such as inductive static KGR, temporal KGR, and multi-modal KGR. To this end, multiple works have been developed recently, but no survey papers and open-source repositories comprehensively summarize and discuss models in this important direction. To fill the gap, we conduct a survey for knowledge graph reasoning tracing from static to temporal and then to multi-modal KGs. Concretely, the preliminaries, summaries of KGR models, and typical datasets are introduced and discussed consequently. Moreover, we discuss the challenges and potential opportunities. The corresponding open-source repository is shared on GitHub: //github.com/LIANGKE23/Awesome-Knowledge-Graph-Reasoning.
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.
This work considers the question of how convenient access to copious data impacts our ability to learn causal effects and relations. In what ways is learning causality in the era of big data different from -- or the same as -- the traditional one? To answer this question, this survey provides a comprehensive and structured review of both traditional and frontier methods in learning causality and relations along with the connections between causality and machine learning. This work points out on a case-by-case basis how big data facilitates, complicates, or motivates each approach.
With the rapid increase of large-scale, real-world datasets, it becomes critical to address the problem of long-tailed data distribution (i.e., a few classes account for most of the data, while most classes are under-represented). Existing solutions typically adopt class re-balancing strategies such as re-sampling and re-weighting based on the number of observations for each class. In this work, we argue that as the number of samples increases, the additional benefit of a newly added data point will diminish. We introduce a novel theoretical framework to measure data overlap by associating with each sample a small neighboring region rather than a single point. The effective number of samples is defined as the volume of samples and can be calculated by a simple formula $(1-\beta^{n})/(1-\beta)$, where $n$ is the number of samples and $\beta \in [0,1)$ is a hyperparameter. We design a re-weighting scheme that uses the effective number of samples for each class to re-balance the loss, thereby yielding a class-balanced loss. Comprehensive experiments are conducted on artificially induced long-tailed CIFAR datasets and large-scale datasets including ImageNet and iNaturalist. Our results show that when trained with the proposed class-balanced loss, the network is able to achieve significant performance gains on long-tailed datasets.
We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.
小貼士
登錄享
相關主題
注冊地址： 北京市海淀區羊坊店路18號2幢3層301-191