22 accepted papers
One of the core facets of Bayesianism is in the updating of prior beliefs in light of new evidence$\textemdash$so how can we maintain a Bayesian approach if we have no prior beliefs in the first place? This is one of the central challenges in the field of Bayesian deep learning, where it is not clea…
Mean Field Variational Inference (MFVI) is widely understood to underestimate posterior variance. By analysing conjugate Bayesian linear regression, we show that this characterisation is incomplete: while MFVI underestimates the variance in parameter space, it can overestimate the predictive varianc…
LLMs excel at predictive tasks and complex reasoning tasks, but many high-value deployments rely on decisions under uncertainty, for example, which tool to call, which expert to consult, or how many resources to invest. While the usefulness and feasibility of Bayesian approaches remain unclear for L…
Transformers have emerged as the dominant architecture in the field of deep learning, with a broad range of applications and remarkable in-context learning (ICL) capabilities. While not yet fully understood, ICL has already proved to be an intriguing phenomenon, allowing transformers to learn in con…
Designing protein sequences of both high fitness and novelty is a challenging task in data-efficient protein engineering. Exploration beyond wild-type neighborhoods often leads to biologically implausible sequences or relies on surrogate models that lose fidelity in novel regions. Here, we propose P…
Laplace approximations are popular techniques for endowing deep networks with epistemic uncertainty estimates as they can be applied without altering the predictions of the trained network, and they scale to large models and datasets. While the choice of prior strongly affects the resulting posterio…
Simplicial complexes prove effective in modeling data with multi-way 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 nume…
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…
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 uncertai…
Neural network sparsification is a promising avenue to save computational time and memory costs, especially in an age where many successful AI models are becoming too large to naively deploy on consumer hardware. While much work has focused on different weight pruning criteria, the overall sparsifia…
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 entir…
Isotropic Gaussian priors are the de facto standard for modern Bayesian neural network inference. However, it is unclear whether these priors accurately reflect our true beliefs about the weight distributions or give optimal performance. To find better priors, we study summary statistics of neural n…
Bayesian neural networks that incorporate data augmentation implicitly use a “randomly perturbed log-likelihood [which] does not have a clean interpretation as a valid likelihood function” (Izmailov et al. 2021). Here, we provide several approaches to developing principled Bayesian neural networks i…
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 app…
Pre-trained contextual representations have led to dramatic performance improvements on a range of downstream tasks. Such performance improvements have motivated researchers to quantify and understand the linguistic information encoded in these representations. In general, researchers quantify the a…
Meta-learning can successfully acquire useful inductive biases from data. Yet, its generalization properties to unseen learning tasks are poorly understood. Particularly if the number of meta-training tasks is small, this raises concerns about overfitting. We provide a theoretical analysis using the…
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 addi…
Conventional variational autoencoders fail in modeling correlations between data points due to their use of factorized priors. Amortized Gaussian process inference through GP-VAEs has led to significant improvements in this regard, but is still inhibited by the intrinsic complexity of exact GP infer…
Marginal-likelihood based model-selection, even though promising, is rarely used in deep learning due to estimation difficulties. Instead, most approaches rely on validation data, which may not be readily available. In this work, we present a scalable marginal-likelihood estimation method to select…
Obtaining high-quality uncertainty estimates is essential for many applications of deep neural networks. In this paper, we theoretically justify a scheme for estimating uncertainties, based on sampling from a prior distribution. Crucially, the uncertainty estimates are shown to be conservative in th…
Multivariate time series with missing values are common in areas such as healthcare and finance, and have grown in number and complexity over the years. This raises the question whether deep learning methodologies can outperform classical data imputation methods in this domain. However, naive applic…
High-dimensional time series are common in many domains. Since human cognition is not optimized to work well in high-dimensional spaces, these areas could benefit from interpretable low-dimensional representations. However, most representation learning algorithms for time series data are difficult t…