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As deep neural networks are highly expressive, it is important to find solutions with small generalization gap (the difference between the performance on the training data and unseen data). Focusing on the stochastic nature of training, we first present a theoretical analysis in which the bound of generalization gap depends on what we call inconsistency and instability of model outputs, which can be estimated on unlabeled data. Our empirical study based on this analysis shows that instability and inconsistency are strongly predictive of generalization gap in various settings. In particular, our finding indicates that inconsistency is a more reliable indicator of generalization gap than the sharpness of the loss landscape. Furthermore, we show that algorithmic reduction of inconsistency leads to superior performance. The results also provide a theoretical basis for existing methods such as co-distillation and ensemble.

Despite the remarkable success achieved by deep learning algorithms in various domains, such as computer vision, they remain vulnerable to adversarial perturbations. Adversarial Training (AT) stands out as one of the most effective solutions to address this issue; however, single-step AT can lead to Catastrophic Overfitting (CO). This scenario occurs when the adversarially trained network suddenly loses robustness against multi-step attacks like Projected Gradient Descent (PGD). Although several approaches have been proposed to address this problem in Convolutional Neural Networks (CNNs), we found out that they do not perform well when applied to Vision Transformers (ViTs). In this paper, we propose Blacksmith, a novel training strategy to overcome the CO problem, specifically in ViTs. Our approach utilizes either of PGD-2 or Fast Gradient Sign Method (FGSM) randomly in a mini-batch during the adversarial training of the neural network. This will increase the diversity of our training attacks, which could potentially mitigate the CO issue. To manage the increased training time resulting from this combination, we craft the PGD-2 attack based on only the first half of the layers, while FGSM is applied end-to-end. Through our experiments, we demonstrate that our novel method effectively prevents CO, achieves PGD-2 level performance, and outperforms other existing techniques including N-FGSM, which is the state-of-the-art method in fast training for CNNs.

Although equivariant machine learning has proven effective at many tasks, success depends heavily on the assumption that the ground truth function is symmetric over the entire domain matching the symmetry in an equivariant neural network. A missing piece in the equivariant learning literature is the analysis of equivariant networks when symmetry exists only partially in the domain. In this work, we present a general theory for such a situation. We propose pointwise definitions of correct, incorrect, and extrinsic equivariance, which allow us to quantify continuously the degree of each type of equivariance a function displays. We then study the impact of various degrees of incorrect or extrinsic symmetry on model error. We prove error lower bounds for invariant or equivariant networks in classification or regression settings with partially incorrect symmetry. We also analyze the potentially harmful effects of extrinsic equivariance. Experiments validate these results in three different environments.

We provide the first convergence guarantee for full black-box variational inference (BBVI), also known as Monte Carlo variational inference. While preliminary investigations worked on simplified versions of BBVI (e.g., bounded domain, bounded support, only optimizing for the scale, and such), our setup does not need any such algorithmic modifications. Our results hold for log-smooth posterior densities with and without strong log-concavity and the location-scale variational family. Also, our analysis reveals that certain algorithm design choices commonly employed in practice, particularly, nonlinear parameterizations of the scale of the variational approximation, can result in suboptimal convergence rates. Fortunately, running BBVI with proximal stochastic gradient descent fixes these limitations, and thus achieves the strongest known convergence rate guarantees. We evaluate this theoretical insight by comparing proximal SGD against other standard implementations of BBVI on large-scale Bayesian inference problems.

We show that when the propensity score is estimated using a suitable covariate balancing procedure, the commonly used inverse probability weighting (IPW) estimator, augmented inverse probability weighting (AIPW) with linear conditional mean, and inverse probability weighted regression adjustment (IPWRA) with linear conditional mean are all numerically the same for estimating the average treatment effect (ATE) or the average treatment effect on the treated (ATT). Further, suitably chosen covariate balancing weights are automatically normalized, which means that normalized and unnormalized versions of IPW and AIPW are identical. For estimating the ATE, the weights that achieve the algebraic equivalence of IPW, AIPW, and IPWRA are based on propensity scores estimated using the inverse probability tilting (IPT) method of Graham, Pinto and Egel (2012). For the ATT, the weights are obtained using the covariate balancing propensity score (CBPS) method developed in Imai and Ratkovic (2014). These equivalences also make covariate balancing methods attractive when the treatment is confounded and one is interested in the local average treatment effect.

The study explores the capabilities of OpenAI's ChatGPT in solving different types of physics problems. ChatGPT (with GPT-4) was queried to solve a total of 40 problems from a college-level engineering physics course. These problems ranged from well-specified problems, where all data required for solving the problem was provided, to under-specified, real-world problems where not all necessary data were given. Our findings show that ChatGPT could successfully solve 62.5% of the well-specified problems, but its accuracy drops to 8.3% for under-specified problems. Analysis of the model's incorrect solutions revealed three distinct failure modes: 1) failure to construct accurate models of the physical world, 2) failure to make reasonable assumptions about missing data, and 3) calculation errors. The study offers implications for how to leverage LLM-augmented instructional materials to enhance STEM education. The insights also contribute to the broader discourse on AI's strengths and limitations, serving both educators aiming to leverage the technology and researchers investigating human-AI collaboration frameworks for problem-solving and decision-making.

High sample complexity has long been a challenge for RL. On the other hand, humans learn to perform tasks not only from interaction or demonstrations, but also by reading unstructured text documents, e.g., instruction manuals. Instruction manuals and wiki pages are among the most abundant data that could inform agents of valuable features and policies or task-specific environmental dynamics and reward structures. Therefore, we hypothesize that the ability to utilize human-written instruction manuals to assist learning policies for specific tasks should lead to a more efficient and better-performing agent. We propose the Read and Reward framework. Read and Reward speeds up RL algorithms on Atari games by reading manuals released by the Atari game developers. Our framework consists of a QA Extraction module that extracts and summarizes relevant information from the manual and a Reasoning module that evaluates object-agent interactions based on information from the manual. An auxiliary reward is then provided to a standard A2C RL agent, when interaction is detected. Experimentally, various RL algorithms obtain significant improvement in performance and training speed when assisted by our design.

Graph Neural Networks (GNNs) have gained significant attention owing to their ability to handle graph-structured data and the improvement in practical applications. However, many of these models prioritize high utility performance, such as accuracy, with a lack of privacy consideration, which is a major concern in modern society where privacy attacks are rampant. To address this issue, researchers have started to develop privacy-preserving GNNs. Despite this progress, there is a lack of a comprehensive overview of the attacks and the techniques for preserving privacy in the graph domain. In this survey, we aim to address this gap by summarizing the attacks on graph data according to the targeted information, categorizing the privacy preservation techniques in GNNs, and reviewing the datasets and applications that could be used for analyzing/solving privacy issues in GNNs. We also outline potential directions for future research in order to build better privacy-preserving GNNs.

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.

Within the rapidly developing Internet of Things (IoT), numerous and diverse physical devices, Edge devices, Cloud infrastructure, and their quality of service requirements (QoS), need to be represented within a unified specification in order to enable rapid IoT application development, monitoring, and dynamic reconfiguration. But heterogeneities among different configuration knowledge representation models pose limitations for acquisition, discovery and curation of configuration knowledge for coordinated IoT applications. This paper proposes a unified data model to represent IoT resource configuration knowledge artifacts. It also proposes IoT-CANE (Context-Aware recommendatioN systEm) to facilitate incremental knowledge acquisition and declarative context driven knowledge recommendation.