We address the consistency of a kernel ridge regression estimate of the conditional mean embedding (CME), which is an embedding of the conditional distribution of Y given X into a target reproducing kernel Hilbert space HY . The CME allows us to take conditional expectations of target RKHS functions, and has been employed in nonparametric causal and Bayesian inference. We address the misspecified setting, where the target CME is in the space of Hilbert-Schmidt operators acting from an input interpolation space between HX and L2, to HY . This space of operators is shown to be isomorphic to a newly defined vector-valued interpolation space. Using this isomorphism, we derive a novel and adaptive statistical learning rate for the empirical CME estimator under the misspecified setting. Our analysis reveals that our rates match the optimal O(logn/n) rates without assuming HY to be finite dimensional. We further establish a lower bound on the learning rate, which shows that the obtained upper bound is optimal.

Approximate Bayesian inference for neural networks is considered a robust alternative to standard training, often providing good performance on out-of-distribution data. However, Bayesian neural networks (BNNs) with high-fidelity approximate inference via full-batch Hamiltonian Monte Carlo achieve poor generalization under covariate shift, even underperforming classical estimation. We explain this surprising result, showing how a Bayesian model average can in fact be problematic under covariate shift, particularly in cases where linear dependencies in the input features cause a lack of posterior contraction. We additionally show why the same issue does not affect many approximate inference procedures, or classical maximum a-posteriori (MAP) training. Finally, we propose novel priors that improve the robustness of BNNs to many sources of covariate shift.

We derive the first finite-time logarithmic Bayes regret upper bounds for Bayesian bandits. In a multi-armed bandit, we obtain O(c logn)and O(ch log2 n)upper bounds for an upper confidence bound algorithm, where ch and c are constants depending on the prior distribution and the gaps of bandit instances sampled from it, respectively. The latter bound asymptotically matches the lower bound of Lai (1987). Our proofs are a major technical departure from prior works, while being simple and general. To show the generality of our techniques, we apply them to linear bandits. Our results provide insights on the value of prior in the Bayesian setting, both in the objective and as a side information given to the learner. They significantly improve upon existing O( n)bounds, which have become standard in the literature despite the logarithmic lower bound of Lai (1987).

Score-based diffusion models synthesize samples by reversing a stochastic process that diffuses data to noise, and are trained by minimizing a weighted combination of score matching losses. The log-likelihood of score-based diffusion models can be tractably computed through a connection to continuous normalizing flows, but log-likelihood is not directly optimized by the weighted combination of score matching losses. We show that for a specific weighting scheme, the objective upper bounds the negative log-likelihood, thus enabling approximate maximum likelihood training of score-based diffusion models. We empirically observe that maximum likelihood training consistently improves the likelihood of score-based diffusion models across multiple datasets, stochastic processes, and model architectures. Our best models achieve negative log-likelihoods of 2.83 and 3.76 bits/dim on CIFAR-10 and ImageNet 32 ˆ32 without any data augmentation, on a par with state-of-the-art autoregressive models on these tasks.

We use the same notations as in section 4.2 Denote ec as a one-hot row vector of the true label, we define the hypothesis set that genie is allowed3 to choose from as4 PΘ = pθ(y|x) = 1 2πσ2 exp 1 2σ2 y f(x>nθ) e>c We simulate the response of the pNML regret for two classes (C=2) and divide it by logC to have11 the regret bounded between 0 and 1. Figure 1 shows the regret behaviour for different p1 (the ERM12 probability assignment of class 1) as a function of x>g.13 For an ERM model that is certain on the prediction (p1 = 0.99 that is represented by the purple14 curve), a slight variation of x>g causes a large response of the regret comparing to p1 that equals15 0.55 and 0.85. Next, 20 we compute the correlation matrix of the training embeddings and perform an SVD decomposition. For the SVHN training set, most of the energy is located in the first 50 eigenvalues and then 24 there is a significant decrease of approximately 103. The same phenomenon is also seen in figure 2a 25 that shows the eigenvalues of ResNet-40 model.

Detecting out-of-distribution (OOD) samples is vital for developing machine learning based models for critical safety systems. Common approaches for OOD detection assume access to some OOD samples during training which may not be available in a real-life scenario. Instead, we utilize the predictive normalized maximum likelihood (pNML) learner, in which no assumptions are made on the tested input. We derive an explicit expression of the pNML and its generalization error, denoted as the regret, for a single layer neural network (NN). We show that this learner generalizes well when (i) the test vector resides in a subspace spanned by the eigenvectors associated with the large eigenvalues of the empirical correlation matrix of the training data, or (ii) the test sample is far from the decision boundary. Furthermore, we describe how to efficiently apply the derived pNML regret to any pretrained deep NN, by employing the explicit pNML for the last layer, followed by the softmax function. Applying the derived regret to deep NN requires neither additional tunable parameters nor extra data. We extensively evaluate our approach on 74 OOD detection benchmarks using DenseNet-100, ResNet-34, and WideResNet40 models trained with CIFAR-100, CIFAR-10, SVHN, and ImageNet-30 showing a significant improvement of up to 15.6% over recent leading methods.