arXiv subjects

Vincent Fortuin

Publications and source records attributed to Vincent Fortuin.

At least 37 records · Page 2Linked to original sources

arXiv2024

Improving Neural Additive Models with Bayesian Principles

Neural additive models (NAMs) enhance the transparency of deep neural networks by handling input features in separate additive sub-networks. However, they lack inherent mechanisms that provide calibrated uncertainties and enable selection of relevant features and interactions. Approaching NAMs from a Bayesian perspective, we augment them in three primary ways, namely by a) providing credible intervals for the individual additive sub-networks; b) estimating the marginal likelihood to perform an implicit selection of features via an empirical Bayes procedure; and c) facilitating the ranking of feature pairs as candidates for second-order interaction in fine-tuned models. In particular, we develop Laplace-approximated NAMs (LA-NAMs), which show improved empirical performance on tabular datasets and challenging real-world medical tasks.

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arXiv2024

Parameter-efficient Bayesian Neural Networks for Uncertainty-aware Depth Estimation

State-of-the-art computer vision tasks, like monocular depth estimation (MDE), rely heavily on large, modern Transformer-based architectures. However, their application in safety-critical domains demands reliable predictive performance and uncertainty quantification. While Bayesian neural networks provide a conceptually simple approach to serve those requirements, they suffer from the high dimensionality of the parameter space. Parameter-efficient fine-tuning (PEFT) methods, in particular low-rank adaptations (LoRA), have emerged as a popular strategy for adapting large-scale models to down-stream tasks by performing parameter inference on lower-dimensional subspaces. In this work, we investigate the suitability of PEFT methods for subspace Bayesian inference in large-scale Transformer-based vision models. We show that, indeed, combining BitFit, DiffFit, LoRA, and CoLoRA, a novel LoRA-inspired PEFT method, with Bayesian inference enables more robust and reliable predictive performance in MDE.

cs.CV↗

arXiv2024

Incorporating Unlabelled Data into Bayesian Neural Networks

Conventional Bayesian Neural Networks (BNNs) are unable to leverage unlabelled data to improve their predictions. To overcome this limitation, we introduce Self-Supervised Bayesian Neural Networks, which use unlabelled data to learn models with suitable prior predictive distributions. This is achieved by leveraging contrastive pretraining techniques and optimising a variational lower bound. We then show that the prior predictive distributions of self-supervised BNNs capture problem semantics better than conventional BNN priors. In turn, our approach offers improved predictive performance over conventional BNNs, especially in low-budget regimes.

cs.LG↗

arXiv2024

Position: Bayesian Deep Learning is Needed in the Age of Large-Scale AI

In the current landscape of deep learning research, there is a predominant emphasis on achieving high predictive accuracy in supervised tasks involving large image and language datasets. However, a broader perspective reveals a multitude of overlooked metrics, tasks, and data types, such as uncertainty, active and continual learning, and scientific data, that demand attention. Bayesian deep learning (BDL) constitutes a promising avenue, offering advantages across these diverse settings. This paper posits that BDL can elevate the capabilities of deep learning. It revisits the strengths of BDL, acknowledges existing challenges, and highlights some exciting research avenues aimed at addressing these obstacles. Looking ahead, the discussion focuses on possible ways to combine large-scale foundation models with BDL to unlock their full potential.

cs.LG↗

arXiv2024

Gaussian Stochastic Weight Averaging for Bayesian Low-Rank Adaptation of Large Language Models

Fine-tuned Large Language Models (LLMs) often suffer from overconfidence and poor calibration, particularly when fine-tuned on small datasets. To address these challenges, we propose a simple combination of Low-Rank Adaptation (LoRA) with Gaussian Stochastic Weight Averaging (SWAG), facilitating approximate Bayesian inference in LLMs. Through extensive testing across several Natural Language Processing (NLP) benchmarks, we demonstrate that our straightforward and computationally efficient approach improves model generalization and calibration competitively with comparable, more sophisticated methods for Bayesian inference in LLMs. We further show that our method exhibits greater robustness against distribution shift, as reflected in its improved performance on out-of-distribution tasks.

cs.CL↗

arXiv2024

Towards Dynamic Feature Acquisition on Medical Time Series by Maximizing Conditional Mutual Information

Knowing which features of a multivariate time series to measure and when is a key task in medicine, wearables, and robotics. Better acquisition policies can reduce costs while maintaining or even improving the performance of downstream predictors. Inspired by the maximization of conditional mutual information, we propose an approach to train acquirers end-to-end using only the downstream loss. We show that our method outperforms random acquisition policy, matches a model with an unrestrained budget, but does not yet overtake a static acquisition strategy. We highlight the assumptions and outline avenues for future work.

cs.LG↗

arXiv2024

How Useful is Intermittent, Asynchronous Expert Feedback for Bayesian Optimization?

Bayesian optimization (BO) is an integral part of automated scientific discovery -- the so-called self-driving lab -- where human inputs are ideally minimal or at least non-blocking. However, scientists often have strong intuition, and thus human feedback is still useful. Nevertheless, prior works in enhancing BO with expert feedback, such as by incorporating it in an offline or online but blocking (arrives at each BO iteration) manner, are incompatible with the spirit of self-driving labs. In this work, we study whether a small amount of randomly arriving expert feedback that is being incorporated in a non-blocking manner can improve a BO campaign. To this end, we run an additional, independent computing thread on top of the BO loop to handle the feedback-gathering process. The gathered feedback is used to learn a Bayesian preference model that can readily be incorporated into the BO thread, to steer its exploration-exploitation process. Experiments on toy and chemistry datasets suggest that even just a few intermittent, asynchronous expert feedback can be useful for improving or constraining BO. This can especially be useful for its implication in improving self-driving labs, e.g. making them more data-efficient and less costly.

cs.LG↗

arXiv2024

Understanding Pathologies of Deep Heteroskedastic Regression

Deep, overparameterized regression models are notorious for their tendency to overfit. This problem is exacerbated in heteroskedastic models, which predict both mean and residual noise for each data point. At one extreme, these models fit all training data perfectly, eliminating residual noise entirely; at the other, they overfit the residual noise while predicting a constant, uninformative mean. We observe a lack of middle ground, suggesting a phase transition dependent on model regularization strength. Empirical verification supports this conjecture by fitting numerous models with varying mean and variance regularization. To explain the transition, we develop a theoretical framework based on a statistical field theory, yielding qualitative agreement with experiments. As a practical consequence, our analysis simplifies hyperparameter tuning from a two-dimensional to a one-dimensional search, substantially reducing the computational burden. Experiments on diverse datasets, including UCI datasets and the large-scale ClimSim climate dataset, demonstrate significantly improved performance in various calibration tasks.

stat.ML↗

arXiv2023

Scalable PAC-Bayesian Meta-Learning via the PAC-Optimal Hyper-Posterior: From Theory to Practice

Meta-Learning aims to speed up the learning process on new tasks by acquiring useful inductive biases from datasets of related learning tasks. While, in practice, the number of related tasks available is often small, most of the existing approaches assume an abundance of tasks; making them unrealistic and prone to overfitting. A central question in the meta-learning literature is how to regularize to ensure generalization to unseen tasks. In this work, we provide a theoretical analysis using the PAC-Bayesian theory and present a generalization bound for meta-learning, which was first derived by Rothfuss et al. (2021a). Crucially, the bound allows us to derive the closed form of the optimal hyper-posterior, referred to as PACOH, which leads to the best performance guarantees. We provide a theoretical analysis and empirical case study under which conditions and to what extent these guarantees for meta-learning improve upon PAC-Bayesian per-task learning bounds. The closed-form PACOH inspires a practical meta-learning approach that avoids the reliance on bi-level optimization, giving rise to a stochastic optimization problem that is amenable to standard variational methods that scale well. Our experiments show that, when instantiating the PACOH with Gaussian processes and Bayesian Neural Networks models, the resulting methods are more scalable, and yield state-of-the-art performance, both in terms of predictive accuracy and the quality of uncertainty estimates.

stat.ML↗

arXiv2023

Uncertainty in Graph Contrastive Learning with Bayesian Neural Networks

Graph contrastive learning has shown great promise when labeled data is scarce, but large unlabeled datasets are available. However, it often does not take uncertainty estimation into account. We show that a variational Bayesian neural network approach can be used to improve not only the uncertainty estimates but also the downstream performance on semi-supervised node-classification tasks. Moreover, we propose a new measure of uncertainty for contrastive learning, that is based on the disagreement in likelihood due to different positive samples.

cs.LG↗

arXiv2023

Estimating optimal PAC-Bayes bounds with Hamiltonian Monte Carlo

An important yet underexplored question in the PAC-Bayes literature is how much tightness we lose by restricting the posterior family to factorized Gaussian distributions when optimizing a PAC-Bayes bound. We investigate this issue by estimating data-independent PAC-Bayes bounds using the optimal posteriors, comparing them to bounds obtained using MFVI. Concretely, we (1) sample from the optimal Gibbs posterior using Hamiltonian Monte Carlo, (2) estimate its KL divergence from the prior with thermodynamic integration, and (3) propose three methods to obtain high-probability bounds under different assumptions. Our experiments on the MNIST dataset reveal significant tightness gaps, as much as 5-6\% in some cases.

stat.ML↗

arXiv2023

A Primer on Bayesian Neural Networks: Review and Debates

Neural networks have achieved remarkable performance across various problem domains, but their widespread applicability is hindered by inherent limitations such as overconfidence in predictions, lack of interpretability, and vulnerability to adversarial attacks. To address these challenges, Bayesian neural networks (BNNs) have emerged as a compelling extension of conventional neural networks, integrating uncertainty estimation into their predictive capabilities. This comprehensive primer presents a systematic introduction to the fundamental concepts of neural networks and Bayesian inference, elucidating their synergistic integration for the development of BNNs. The target audience comprises statisticians with a potential background in Bayesian methods but lacking deep learning expertise, as well as machine learners proficient in deep neural networks but with limited exposure to Bayesian statistics. We provide an overview of commonly employed priors, examining their impact on model behavior and performance. Additionally, we delve into the practical considerations associated with training and inference in BNNs. Furthermore, we explore advanced topics within the realm of BNN research, acknowledging the existence of ongoing debates and controversies. By offering insights into cutting-edge developments, this primer not only equips researchers and practitioners with a solid foundation in BNNs, but also illuminates the potential applications of this dynamic field. As a valuable resource, it fosters an understanding of BNNs and their promising prospects, facilitating further advancements in the pursuit of knowledge and innovation.

stat.ML↗

arXiv2023

Hodge-Aware Contrastive Learning

Simplicial complexes prove effective in modeling data with multiway dependencies, such as data defined along the edges of networks or within other higher-order structures. Their spectrum can be decomposed into three interpretable subspaces via the Hodge decomposition, resulting foundational in numerous applications. We leverage this decomposition to develop a contrastive self-supervised learning approach for processing simplicial data and generating embeddings that encapsulate specific spectral information.Specifically, we encode the pertinent data invariances through simplicial neural networks and devise augmentations that yield positive contrastive examples with suitable spectral properties for downstream tasks. Additionally, we reweight the significance of negative examples in the contrastive loss, considering the similarity of their Hodge components to the anchor. By encouraging a stronger separation among less similar instances, we obtain an embedding space that reflects the spectral properties of the data. The numerical results on two standard edge flow classification tasks show a superior performance even when compared to supervised learning techniques. Our findings underscore the importance of adopting a spectral perspective for contrastive learning with higher-order data.

cs.LG↗

arXiv2023

Promises and Pitfalls of the Linearized Laplace in Bayesian Optimization

The linearized-Laplace approximation (LLA) has been shown to be effective and efficient in constructing Bayesian neural networks. It is theoretically compelling since it can be seen as a Gaussian process posterior with the mean function given by the neural network's maximum-a-posteriori predictive function and the covariance function induced by the empirical neural tangent kernel. However, while its efficacy has been studied in large-scale tasks like image classification, it has not been studied in sequential decision-making problems like Bayesian optimization where Gaussian processes -- with simple mean functions and kernels such as the radial basis function -- are the de-facto surrogate models. In this work, we study the usefulness of the LLA in Bayesian optimization and highlight its strong performance and flexibility. However, we also present some pitfalls that might arise and a potential problem with the LLA when the search space is unbounded.

cs.LG↗

arXiv2023

Sparse MoEs meet Efficient Ensembles

Machine learning models based on the aggregated outputs of submodels, either at the activation or prediction levels, often exhibit strong performance compared to individual models. We study the interplay of two popular classes of such models: ensembles of neural networks and sparse mixture of experts (sparse MoEs). First, we show that the two approaches have complementary features whose combination is beneficial. This includes a comprehensive evaluation of sparse MoEs in uncertainty related benchmarks. Then, we present Efficient Ensemble of Experts (E$^3$), a scalable and simple ensemble of sparse MoEs that takes the best of both classes of models, while using up to 45% fewer FLOPs than a deep ensemble. Extensive experiments demonstrate the accuracy, log-likelihood, few-shot learning, robustness, and uncertainty improvements of E$^3$ over several challenging vision Transformer-based baselines. E$^3$ not only preserves its efficiency while scaling to models with up to 2.7B parameters, but also provides better predictive performance and uncertainty estimates for larger models.

cs.LG↗

arXiv2023

Repulsive Deep Ensembles are Bayesian

Deep ensembles have recently gained popularity in the deep learning community for their conceptual simplicity and efficiency. However, maintaining functional diversity between ensemble members that are independently trained with gradient descent is challenging. This can lead to pathologies when adding more ensemble members, such as a saturation of the ensemble performance, which converges to the performance of a single model. Moreover, this does not only affect the quality of its predictions, but even more so the uncertainty estimates of the ensemble, and thus its performance on out-of-distribution data. We hypothesize that this limitation can be overcome by discouraging different ensemble members from collapsing to the same function. To this end, we introduce a kernelized repulsive term in the update rule of the deep ensembles. We show that this simple modification not only enforces and maintains diversity among the members but, even more importantly, transforms the maximum a posteriori inference into proper Bayesian inference. Namely, we show that the training dynamics of our proposed repulsive ensembles follow a Wasserstein gradient flow of the KL divergence with the true posterior. We study repulsive terms in weight and function space and empirically compare their performance to standard ensembles and Bayesian baselines on synthetic and real-world prediction tasks.

cs.LG↗

arXiv2022

Invariance Learning in Deep Neural Networks with Differentiable Laplace Approximations

Data augmentation is commonly applied to improve performance of deep learning by enforcing the knowledge that certain transformations on the input preserve the output. Currently, the data augmentation parameters are chosen by human effort and costly cross-validation, which makes it cumbersome to apply to new datasets. We develop a convenient gradient-based method for selecting the data augmentation without validation data during training of a deep neural network. Our approach relies on phrasing data augmentation as an invariance in the prior distribution on the functions of a neural network, which allows us to learn it using Bayesian model selection. This has been shown to work in Gaussian processes, but not yet for deep neural networks. We propose a differentiable Kronecker-factored Laplace approximation to the marginal likelihood as our objective, which can be optimised without human supervision or validation data. We show that our method can successfully recover invariances present in the data, and that this improves generalisation and data efficiency on image datasets.

stat.ML↗

arXiv2022

Deep Classifiers with Label Noise Modeling and Distance Awareness

Uncertainty estimation in deep learning has recently emerged as a crucial area of interest to advance reliability and robustness in safety-critical applications. While there have been many proposed methods that either focus on distance-aware model uncertainties for out-of-distribution detection or on input-dependent label uncertainties for in-distribution calibration, both of these types of uncertainty are often necessary. In this work, we propose the HetSNGP method for jointly modeling the model and data uncertainty. We show that our proposed model affords a favorable combination between these two types of uncertainty and thus outperforms the baseline methods on some challenging out-of-distribution datasets, including CIFAR-100C, ImageNet-C, and ImageNet-A. Moreover, we propose HetSNGP Ensemble, an ensembled version of our method which additionally models uncertainty over the network parameters and outperforms other ensemble baselines.

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