ICML 2024 Papers

While the great capability of Transformers significantly boosts prediction accuracy, it could also yield overconfident predictions and require calibrated uncertainty estimation, which can be commonly tackled by Gaussian processes (GPs). Existing works apply GPs with symmetric kernels under variational inference to the attention kernel; however, omitting the fact that attention kernels are in essence asymmetric. Moreover, the complexity of deriving the GP posteriors remains high for large-scale data. In this work, we propose Kernel-Eigen Pair Sparse Variational Gaussian Processes (KEP-SVGP) for building uncertainty-aware self-attention where the asymmetry of attention kernels is tackled by Kernel SVD (KSVD) and a reduced complexity is acquired. Through KEP-SVGP, i) the SVGP pair induced by the two sets of singular vectors from KSVD w.r.t. the attention kernel fully characterizes the asymmetry; ii) using only a small set of adjoint eigenfunctions from KSVD, the derivation of SVGP posteriors can be based on the inversion of a diagonal matrix containing singular values, contributing to a reduction in time complexity; iii) an evidence lower bound is derived so that variational parameters and network weights can be optimized with it. Experiments verify our excellent performances and efficiency on in-distribution, distribution-shift and out-of-distribution benchmarks.

Variational logistic regression is a popular method for approximate Bayesian inference seeing wide-spread use in many areas of machine learning including: Bayesian optimization, reinforcement learning and multi-instance learning to name a few. However, due to the intractability of the Evidence Lower Bound, authors have turned to the use of Monte Carlo, quadrature or bounds to perform inference, methods which are costly or give poor approximations to the true posterior. In this paper we introduce a new bound for the expectation of softplus function and subsequently show how this can be applied to variational logistic regression and Gaussian process classification. Unlike other bounds, our proposal does not rely on extending the variational family, or introducing additional parameters to ensure the bound is tight. In fact, we show that this bound is tighter than the state-of-the-art, and that the resulting variational posterior achieves state-of-the-art performance, whilst being significantly faster to compute than Monte-Carlo methods.

The Linearized Laplace Approximation (LLA) has been recently used to perform uncertainty estimation on the predictions of pre-trained deep neural networks (DNNs). However, its widespread application is hindered by significant computational costs, particularly in scenarios with a large number of training points or DNN parameters. Consequently, additional approximations of LLA, such as Kronecker-factored or diagonal approximate GGN matrices, are utilized, potentially compromising the model's performance. To address these challenges, we propose a new method for approximating LLA using a variational sparse Gaussian Process (GP). Our method is based on the dual RKHS formulation of GPs and retains as the predictive mean the output of the original DNN. Furthermore, it allows for efficient stochastic optimization, which results in sub-linear training time in the size of the training dataset. Specifically, its training cost is independent of the number of training points. We compare our proposed method against accelerated LLA (ELLA), which relies on the Nyström approximation, as well as other LLA variants employing the sample-then-optimize principle. Experimental results, both on regression and classification datasets, show that our method outperforms these already existing efficient variants of LLA, both in terms of the quality of the predictive distribution and in terms of total computational time.

Variational families with full-rank covariance approximations are known not to work well in black-box variational inference (BBVI), both empirically and theoretically. In fact, recent computational complexity results for BBVI have established that full-rank variational families scale poorly with the dimensionality of the problem compared to *e.g.* mean-field families. This is particularly critical to hierarchical Bayesian models with local variables; their dimensionality increases with the size of the datasets. Consequently, one gets an iteration complexity with an explicit $\mathcal{O}(N^2)$ dependence on the dataset size $N$. In this paper, we explore a theoretical middle ground *between* mean-field variational families and full-rank families: *structured* variational families. We rigorously prove that certain scale matrix structures can achieve a better iteration complexity of $\mathcal{O}\left(N\right)$, implying better scaling with respect to $N$. We empirically verify our theoretical results on large-scale hierarchical models.

Unlearnable examples (UEs) seek to maximize testing error by making subtle modifications to training examples that are correctly labeled. Defenses against these poisoning attacks can be categorized based on whether specific interventions are adopted during training. The first approach is training-time defense, such as adversarial training, which can mitigate poisoning effects but is computationally intensive. The other approach is pre-training purification, e.g., image short squeezing, which consists of several simple compressions but often encounters challenges in dealing with various UEs. Our work provides a novel disentanglement mechanism to build an efficient pre-training purification method. Firstly, we uncover rate-constrained variational autoencoders (VAEs), demonstrating a clear tendency to suppress the perturbations in UEs. We subsequently conduct a theoretical analysis for this phenomenon. Building upon these insights, we introduce a disentangle variational autoencoder (D-VAE), capable of disentangling the perturbations with learnable class-wise embeddings. Based on this network, a two-stage purification approach is naturally developed. The first stage focuses on roughly eliminating perturbations, while the second stage produces refined, poison-free results, ensuring effectiveness and robustness across various scenarios. Extensive experiments demonstrate the remarkable performance of our method across CIFAR-10, CIFAR-100, and a 100-class ImageNet-subset. Code is available at https://github.com/yuyi-sd/D-VAE.