We propose a goodness-of-fit measure for probability densities modeling observations with varying dimensionality, such as text documents of differing lengths or variable-length sequences. The proposed measure is an instance of the kernel Stein discrepancy (KSD), which has been used to construct goodness-of-fit tests for unnormalized densities. The KSD is defined by its Stein operator: current operators used in testing apply to fixed-dimensional spaces. As our main contribution, we extend the KSD to the variable-dimension setting by identifying appropriate Stein operators, and propose a novel KSD goodness-of-fit test. As with the previous variants, the proposed KSD does not require the density to be normalized, allowing the evaluation of a large class of models. Our test is shown to perform well in practice on discrete sequential data benchmarks.
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Recent years have seen the ever-increasing importance of pre-trained models and their downstream training in deep learning research and applications. At the same time, the defense for adversarial examples has been mainly investigated in the context of training from random initialization on simple classification tasks. To better exploit the potential of pre-trained models in adversarial robustness, this paper focuses on the fine-tuning of an adversarially pre-trained model in various classification tasks. Existing research has shown that since the robust pre-trained model has already learned a robust feature extractor, the crucial question is how to maintain the robustness in the pre-trained model when learning the downstream task. We study the model-based and data-based approaches for this goal and find that the two common approaches cannot achieve the objective of improving both generalization and adversarial robustness. Thus, we propose a novel statistics-based approach, Two-WIng NormliSation (TWINS) fine-tuning framework, which consists of two neural networks where one of them keeps the population means and variances of pre-training data in the batch normalization layers. Besides the robust information transfer, TWINS increases the effective learning rate without hurting the training stability since the relationship between a weight norm and its gradient norm in standard batch normalization layer is broken, resulting in a faster escape from the sub-optimal initialization and alleviating the robust overfitting. Finally, TWINS is shown to be effective on a wide range of image classification datasets in terms of both generalization and robustness. Our code is available at //github.com/ziquanliu/CVPR2023-TWINS.
The extensive-form game has been studied considerably in recent years. It can represent games with multiple decision points and incomplete information, and hence it is helpful in formulating games with uncertain inputs, such as poker. We consider an extended-form game with two players and zero-sum, i.e., the sum of their payoffs is always zero. In such games, the problem of finding the optimal strategy can be formulated as a bilinear saddle-point problem. This formulation grows huge depending on the size of the game, since it has variables representing the strategies at all decision points for each player. To solve such large-scale bilinear saddle-point problems, the excessive gap technique (EGT), a smoothing method, has been studied. This method generates a sequence of approximate solutions whose error is guaranteed to converge at $\mathcal{O}(1/k)$, where $k$ is the number of iterations. However, it has the disadvantage of having poor theoretical bounds on the error related to the game size. This makes it inapplicable to large games. Our goal is to improve the smoothing method for solving extensive-form games so that it can be applied to large-scale games. To this end, we make two contributions in this work. First, we slightly modify the strongly convex function used in the smoothing method in order to improve the theoretical bounds related to the game size. Second, we propose a heuristic called centering trick, which allows the smoothing method to be combined with other methods and consequently accelerates the convergence in practice. As a result, we combine EGT with CFR+, a state-of-the-art method for extensive-form games, to achieve good performance in games where conventional smoothing methods do not perform well. The proposed smoothing method is shown to have the potential to solve large games in practice.
In recent years, there has been an explosion of research into developing more robust deep neural networks against adversarial examples. Adversarial training appears as one of the most successful methods. To deal with both the robustness against adversarial examples and the accuracy over clean examples, many works develop enhanced adversarial training methods to achieve various trade-offs between them. Leveraging over the studies that smoothed update on weights during training may help find flat minima and improve generalization, we suggest reconciling the robustness-accuracy trade-off from another perspective, i.e., by adding random noise into deterministic weights. The randomized weights enable our design of a novel adversarial training method via Taylor expansion of a small Gaussian noise, and we show that the new adversarial training method can flatten loss landscape and find flat minima. With PGD, CW, and Auto Attacks, an extensive set of experiments demonstrate that our method enhances the state-of-the-art adversarial training methods, boosting both robustness and clean accuracy. The code is available at //github.com/Alexkael/Randomized-Adversarial-Training.
Learning precise surrogate models of complex computer simulations and physical machines often require long-lasting or expensive experiments. Furthermore, the modeled physical dependencies exhibit nonlinear and nonstationary behavior. Machine learning methods that are used to produce the surrogate model should therefore address these problems by providing a scheme to keep the number of queries small, e.g. by using active learning and be able to capture the nonlinear and nonstationary properties of the system. One way of modeling the nonstationarity is to induce input-partitioning, a principle that has proven to be advantageous in active learning for Gaussian processes. However, these methods either assume a known partitioning, need to introduce complex sampling schemes or rely on very simple geometries. In this work, we present a simple, yet powerful kernel family that incorporates a partitioning that: i) is learnable via gradient-based methods, ii) uses a geometry that is more flexible than previous ones, while still being applicable in the low data regime. Thus, it provides a good prior for active learning procedures. We empirically demonstrate excellent performance on various active learning tasks.
Goodness-of-fit tests are often used in data analysis to test the agreement of a distribution to a set of data. These tests can be used to detect an unknown signal against a known background or to set limits on a proposed signal distribution in experiments contaminated by poorly understood backgrounds. Out-of-the-box non-parametric tests that can target any proposed distribution are only available in the univariate case. In this paper, we discuss how to build goodness-of-fit tests for arbitrary multivariate distributions or multivariate data generation models.
The kernel-based method has been successfully applied in linear system identification using stable kernel designs. From a Gaussian process perspective, it automatically provides probabilistic error bounds for the identified models from the posterior covariance, which are useful in robust and stochastic control. However, the error bounds require knowledge of the true hyperparameters in the kernel design and are demonstrated to be inaccurate with estimated hyperparameters for lightly damped systems or in the presence of high noise. In this work, we provide reliable quantification of the estimation error when the hyperparameters are unknown. The bounds are obtained by first constructing a high-probability set for the true hyperparameters from the marginal likelihood function and then finding the worst-case posterior covariance within the set. The proposed bound is proven to contain the true model with a high probability and its validity is verified in numerical simulation.
The presented methodology for testing the goodness-of-fit of an Autoregressive Hilbertian model (ARH(1) model) provides an infinite-dimensional formulation of the approach proposed in Koul and Stute (1999), based on empirical process marked by residuals. Applying a central and functional central limit result for Hilbert-valued martingale difference sequences, the asymptotic behavior of the formulated H-valued empirical process, also indexed by H, is obtained under the null hypothesis. The limiting process is H-valued generalized (i.e., indexed by H) Wiener process, leading to an asymptotically distribution free test. Consistency is also analyzed. The case of misspecified autocorrelation operator of the ARH(1) process is addressed as well. Beyond the Euclidean setting, this approach allows to implement goodness of fit testing in the context of manifold and spherical functional autoregressive processes.
Many machine learning problems can be framed in the context of estimating functions, and often these are time-dependent functions that are estimated in real-time as observations arrive. Gaussian processes (GPs) are an attractive choice for modeling real-valued nonlinear functions due to their flexibility and uncertainty quantification. However, the typical GP regression model suffers from several drawbacks: 1) Conventional GP inference scales $O(N^{3})$ with respect to the number of observations; 2) Updating a GP model sequentially is not trivial; and 3) Covariance kernels typically enforce stationarity constraints on the function, while GPs with non-stationary covariance kernels are often intractable to use in practice. To overcome these issues, we propose a sequential Monte Carlo algorithm to fit infinite mixtures of GPs that capture non-stationary behavior while allowing for online, distributed inference. Our approach empirically improves performance over state-of-the-art methods for online GP estimation in the presence of non-stationarity in time-series data. To demonstrate the utility of our proposed online Gaussian process mixture-of-experts approach in applied settings, we show that we can sucessfully implement an optimization algorithm using online Gaussian process bandits.
Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to disentangle independent factors from observations. However, in real scenarios, factors with semantics are not necessarily independent. Instead, there might be an underlying causal structure which renders these factors dependent. We thus propose a new VAE based framework named CausalVAE, which includes a Causal Layer to transform independent exogenous factors into causal endogenous ones that correspond to causally related concepts in data. We further analyze the model identifiabitily, showing that the proposed model learned from observations recovers the true one up to a certain degree. Experiments are conducted on various datasets, including synthetic and real word benchmark CelebA. Results show that the causal representations learned by CausalVAE are semantically interpretable, and their causal relationship as a Directed Acyclic Graph (DAG) is identified with good accuracy. Furthermore, we demonstrate that the proposed CausalVAE model is able to generate counterfactual data through "do-operation" to the causal factors.
Recommender systems play a fundamental role in web applications in filtering massive information and matching user interests. While many efforts have been devoted to developing more effective models in various scenarios, the exploration on the explainability of recommender systems is running behind. Explanations could help improve user experience and discover system defects. In this paper, after formally introducing the elements that are related to model explainability, we propose a novel explainable recommendation model through improving the transparency of the representation learning process. Specifically, to overcome the representation entangling problem in traditional models, we revise traditional graph convolution to discriminate information from different layers. Also, each representation vector is factorized into several segments, where each segment relates to one semantic aspect in data. Different from previous work, in our model, factor discovery and representation learning are simultaneously conducted, and we are able to handle extra attribute information and knowledge. In this way, the proposed model can learn interpretable and meaningful representations for users and items. Unlike traditional methods that need to make a trade-off between explainability and effectiveness, the performance of our proposed explainable model is not negatively affected after considering explainability. Finally, comprehensive experiments are conducted to validate the performance of our model as well as explanation faithfulness.
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