13 accepted papers
Modern deep learning models generalize remarkably well in-distribution, despite being overparametrized and trained with little to no explicit regularization. Instead, current theory credits implicit regularization imposed by the choice of architecture, hyperparameters and optimization procedure. How…
We propose a novel sequential Monte Carlo (SMC) method for sampling from unnormalized target distributions based on a reverse denoising diffusion process. While recent diffusion-based samplers simulate the reverse diffusion using approximate score functions, they can suffer from accumulating errors…
Classic ensembles generalize better than any single component model. In contrast, recent empirical studies find that modern ensembles of (overparameterized) neural networks may not provide any inherent generalization advantage over single but larger neural networks. This paper clarifies how modern o…
High-dimensional Bayesian optimization (BO) tasks such as molecular design often require $>10,$$000$ function evaluations before obtaining meaningful results. While methods like sparse variational Gaussian processes (SVGPs) reduce computational requirements in these settings, the underlying approxim…
Model selection in Gaussian processes scales prohibitively with the size of the training dataset, both in time and memory. While many approximations exist, all incur inevitable approximation error. Recent work accounts for this error in the form of computational uncertainty, which enables---at the c…
This paper presents a method for estimating the hallucination rate for in-context learning (ICL) with generative AI. In ICL, a conditional generative model (CGM) is prompted with a dataset and a prediction question and asked to generate a response. One interpretation of ICL assumes that the CGM comp…
Diffusion models have been successful on a range of conditional generation tasks including molecular design and text-to-image generation. However, these achievements have primarily depended on task-specific conditional training or error-prone heuristic approximations. Ideally, a conditional generati…
Data augmentation plays a key role in modern machine learning pipelines. While numerous augmentation strategies have been studied in the context of computer vision and natural language processing, less is known for other data modalities. Our work extends the success of data augmentation to compositi…
Ensembling neural networks is an effective way to increase accuracy, and can often match the performance of individual larger models. This observation poses a natural question: given the choice between a deep ensemble and a single neural network with similar accuracy, is one preferable over the othe…
Gaussian processes scale prohibitively with the size of the dataset. In response, many approximation methods have been developed, which inevitably introduce approximation error. This additional source of uncertainty, due to limited computation, is entirely ignored when using the approximate posterio…
Variational autoencoders model high-dimensional data by positing low-dimensional latent variables that are mapped through a flexible distribution parametrized by a neural network. Unfortunately, variational autoencoders often suffer from posterior collapse: the posterior of the latent variables is e…
Normalizing flows are invertible neural networks with tractable change-of-volume terms, which allow optimization of their parameters to be efficiently performed via maximum likelihood. However, data of interest are typically assumed to live in some (often unknown) low-dimensional manifold embedded i…
Large width limits have been a recent focus of deep learning research: modulo computational practicalities, do wider networks outperform narrower ones? Answering this question has been challenging, as conventional networks gain representational power with width, potentially masking any negative effe…