Tighter risk certificates for neural networks

This paper presents an empirical study regarding training probabilistic neural networks using training objectives derived from PAC-Bayes bounds. In the context of probabilistic neural networks, the output of training is a probability distribution over network weights. We present two training objectives, used here for the first time in connection with training neural networks. These two training objectives are derived from tight PAC-Bayes bounds. We also re-implement a previously used training objective based on a classical PAC-Bayes bound, to compare the properties of the predictors learned using the different training objectives. We compute risk certificates that are valid on any unseen examples for the learnt predictors. We further experiment with different types of priors on the weights (both data-free and data-dependent priors) and neural network architectures. Our experiments on MNIST and CIFAR-10 show that our training methods produce competitive test set errors and non-vacuous risk bounds with much tighter values than previous results in the literature, showing promise not only to guide the learning algorithm through bounding the risk but also for model selection. These observations suggest that the methods studied here might be good candidates for self-certified learning, in the sense of certifying the risk on any unseen data without the need for data-splitting protocols.Comment: Preprint under revie

Tighter risk certificates for neural networks

This paper presents an empirical study regarding training probabilistic neural networks using training objectives derived from PAC-Bayes bounds. In the context of probabilistic neural networks, the output of training is a probability distribution over network weights. We present two training objectives, used here for the first time in connection with training neural networks. These two training objectives are derived from tight PAC-Bayes bounds. We also re-implement a previously used training objective based on a classical PAC-Bayes bound, to compare the properties of the predictors learned using the different training objectives. We compute risk certificates for the learnt predictors, based on part of the data used to learn the predictors. We further experiment with different types of priors on the weights (both data-free and data-dependent priors) and neural network architectures. Our experiments on MNIST and CIFAR-10 show that our training methods produce competitive test set errors and non-vacuous risk bounds with much tighter values than previous results in the literature, showing promise not only to guide the learning algorithm through bounding the risk but also for model selection. These observations suggest that the methods studied here might be good candidates for self-certified learning, in the sense of using the whole data set for learning a predictor and certifying its risk on any unseen data (from the same distribution as the training data) potentially without the need for holding out test data

PAC-Bayesian Computation

Risk bounds, which are also called generalisation bounds in the statistical learning literature, are important objects of study because they give some information on the expected error that a predictor may incur on randomly chosen data points. In classical statistical learning, the analyses focus on individual hypotheses, and the aim is deriving risk bounds that are valid for the data-dependent hypothesis output by some learning method. Often, however, such risk bounds are valid uniformly over a hypothesis class, which is a consequence of the methods used to derive them, namely the theory of uniform convergence of empirical processes. This is a source of looseness of these classical kinds of bounds which has lead to debates and criticisms, and motivated the search of alternative methods to derive tighter bounds. The PAC-Bayes analysis focuses on distributions over hypotheses and randomised predictors defined by such distributions. Other prediction schemes can be devised based on a distribution over hypotheses, however, the randomised predictor is a typical starting point. Lifting the analysis to distributions over hypotheses, rather than individual hypotheses, makes available sharp analysis tools, which arguably account for the tightness of PAC-Bayes bounds. Two main uses of PAC-Bayes bounds are (1) risk certification, and (2) cost function derivation. The first consists of evaluating numerical risk certificates for the distributions over hypotheses learned by some method, while the second consists of turning a PAC-Bayes bound into a training objective, to learn a distribution by minimising the bound. This thesis revisits both kinds of uses of PAC-Bayes bounds. We contribute results on certifying the risk of randomised kernel and neural network classifiers, adding evidence to the success of PAC-Bayes bounds at delivering tight certificates. This thesis proposes the name “PAC-Bayesian Computation” as a generic name to encompass the class of methods that learn a distribution over hypotheses by minimising a PAC-Bayes bound (i.e. the second use case described above: cost function derivation), and reports an interesting case of PAC-Bayesian Computation leading to self-certified learning: we develop a learning and certification strategy that uses all the available data to produce a predictor together with a tight risk certificate, as demonstrated with randomised neural network classifiers on two benchmark data sets (MNIST, CIFAR-10)

Non-Vacuous Generalization Bounds at the ImageNet Scale: A PAC-Bayesian Compression Approach

Modern neural networks are highly overparameterized, with capacity to substantially overfit to training data. Nevertheless, these networks often generalize well in practice. It has also been observed that trained networks can often be "compressed" to much smaller representations. The purpose of this paper is to connect these two empirical observations. Our main technical result is a generalization bound for compressed networks based on the compressed size. Combined with off-the-shelf compression algorithms, the bound leads to state of the art generalization guarantees; in particular, we provide the first non-vacuous generalization guarantees for realistic architectures applied to the ImageNet classification problem. As additional evidence connecting compression and generalization, we show that compressibility of models that tend to overfit is limited: We establish an absolute limit on expected compressibility as a function of expected generalization error, where the expectations are over the random choice of training examples. The bounds are complemented by empirical results that show an increase in overfitting implies an increase in the number of bits required to describe a trained network.Comment: 16 pages, 1 figure. Accepted at ICLR 201

PAC-tuning:Fine-tuning Pretrained Language Models with PAC-driven Perturbed Gradient Descent

Fine-tuning pretrained language models (PLMs) for downstream tasks is a large-scale optimization problem, in which the choice of the training algorithm critically determines how well the trained model can generalize to unseen test data, especially in the context of few-shot learning. To achieve good generalization performance and avoid overfitting, techniques such as data augmentation and pruning are often applied. However, adding these regularizations necessitates heavy tuning of the hyperparameters of optimization algorithms, such as the popular Adam optimizer. In this paper, we propose a two-stage fine-tuning method, PAC-tuning, to address this optimization challenge. First, based on PAC-Bayes training, PAC-tuning directly minimizes the PAC-Bayes generalization bound to learn proper parameter distribution. Second, PAC-tuning modifies the gradient by injecting noise with the variance learned in the first stage into the model parameters during training, resulting in a variant of perturbed gradient descent (PGD). In the past, the few-shot scenario posed difficulties for PAC-Bayes training because the PAC-Bayes bound, when applied to large models with limited training data, might not be stringent. Our experimental results across 5 GLUE benchmark tasks demonstrate that PAC-tuning successfully handles the challenges of fine-tuning tasks and outperforms strong baseline methods by a visible margin, further confirming the potential to apply PAC training for any other settings where the Adam optimizer is currently used for training.Comment: Accepted to EMNLP23 mai

Learning via Wasserstein-Based High Probability Generalisation Bounds

Minimising upper bounds on the population risk or the generalisation gap has been widely used in structural risk minimisation (SRM) -- this is in particular at the core of PAC-Bayesian learning. Despite its successes and unfailing surge of interest in recent years, a limitation of the PAC-Bayesian framework is that most bounds involve a Kullback-Leibler (KL) divergence term (or its variations), which might exhibit erratic behavior and fail to capture the underlying geometric structure of the learning problem -- hence restricting its use in practical applications. As a remedy, recent studies have attempted to replace the KL divergence in the PAC-Bayesian bounds with the Wasserstein distance. Even though these bounds alleviated the aforementioned issues to a certain extent, they either hold in expectation, are for bounded losses, or are nontrivial to minimize in an SRM framework. In this work, we contribute to this line of research and prove novel Wasserstein distance-based PAC-Bayesian generalisation bounds for both batch learning with independent and identically distributed (i.i.d.) data, and online learning with potentially non-i.i.d. data. Contrary to previous art, our bounds are stronger in the sense that (i) they hold with high probability, (ii) they apply to unbounded (potentially heavy-tailed) losses, and (iii) they lead to optimizable training objectives that can be used in SRM. As a result we derive novel Wasserstein-based PAC-Bayesian learning algorithms and we illustrate their empirical advantage on a variety of experiments.Comment: Accepted to NeurIPS 202