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Robust Gaussian Processes via Relevance Pursuit

Neural Information Processing Systems

Gaussian processes (GPs) are non-parametric probabilistic regression models that are popular due to their flexibility, data efficiency, and well-calibrated uncertainty estimates. However, standard GP models assume homoskedastic Gaussian noise, while many real-world applications are subject to non-Gaussian corruptions. Variants of GPs that are more robust to alternative noise models have been proposed, and entail significant trade-offs between accuracy and robustness, and between computational requirements and theoretical guarantees. In this work, we propose and study a GP model that achieves robustness against sparse outliers by inferring data-point-specific noise levels with a sequential selection procedure maximizing the log marginal likelihood that we refer to as relevance pursuit. We show, surprisingly, that the model can be parameterized such that the associated log marginal likelihood is strongly concave in the data-point-specific noise variances, a property rarely found in either robust regression objectives or GP marginal likelihoods. This in turn implies the weak submodularity of the corresponding subset selection problem, and thereby proves approximation guarantees for the proposed algorithm. We compare the model's performance relative to other approaches on diverse regression and Bayesian optimization tasks, including the challenging but common setting of sparse corruptions of the labels within or close to the function range.


Don't Blame the ELBO! A Linear VAE Perspective on Posterior Collapse

Neural Information Processing Systems

Posterior collapse in Variational Autoencoders (VAEs) with uninformative priors arises when the variational posterior distribution closely matches the prior for a subset of latent variables. This paper presents a simple and intuitive explanation for posterior collapse through the analysis of linear VAEs and their direct correspondence with Probabilistic PCA (pPCA). We explain how posterior collapse may occur in pPCA due to local maxima in the log marginal likelihood. Unexpectedly, we prove that the ELBO objective for the linear VAE does not introduce additional spurious local maxima relative to log marginal likelihood. We show further that training a linear VAE with exact variational inference recovers a uniquely identifiable global maximum corresponding to the principal component directions. Empirically, we find that our linear analysis is predictive even for high-capacity, non-linear VAEs and helps explain the relationship between the observation noise, local maxima, and posterior collapse in deep Gaussian VAEs.


Improving the Accuracy of Amortized Model Comparison with Self-Consistency

Kucharský, Šimon, Mishra, Aayush, Habermann, Daniel, Radev, Stefan T., Bürkner, Paul-Christian

arXiv.org Machine Learning

Amortized Bayesian inference (ABI) offers fast, scalable approximations to posterior densities by training neural surrogates on data simulated from the statistical model. However, ABI methods are highly sensitive to model misspecification: when observed data fall outside the training distribution (generative scope of the statistical models), neural surrogates can behave unpredictably. This makes it a challenge in a model comparison setting, where multiple statistical models are considered, of which at least some are misspecified. Recent work on self-consistency (SC) provides a promising remedy to this issue, accessible even for empirical data (without ground-truth labels). In this work, we investigate how SC can improve amortized model comparison conceptualized in four different ways. Across two synthetic and two real-world case studies, we find that approaches for model comparison that estimate marginal likelihoods through approximate parameter posteriors consistently outperform methods that directly approximate model evidence or posterior model probabilities. SC training improves robustness when the likelihood is available, even under severe model misspecification. The benefits of SC for methods without access of analytic likelihoods are more limited and inconsistent. Our results suggest practical guidance for reliable amortized Bayesian model comparison: prefer parameter posterior-based methods and augment them with SC training on empirical datasets to mitigate extrapolation bias under model misspecification.


Machine Learning-Driven Analysis of kSZ Maps to Predict CMB Optical Depth $τ$

Khouzani, Farshid Farhadi, Shaw, Abinash Kumar, La Plante, Paul, Shareef, Bryar Mustafa, Gewali, Laxmi

arXiv.org Artificial Intelligence

Upcoming measurements of the kinetic Sunyaev-Zel'dovich (kSZ) effect, which results from Cosmic Microwave Background (CMB) photons scattering off moving electrons, offer a powerful probe of the Epoch of Reionization (EoR). The kSZ signal contains key information about the timing, duration, and spatial structure of the EoR. A precise measurement of the CMB optical depth $τ$, a key parameter that characterizes the universe's integrated electron density, would significantly constrain models of early structure formation. However, the weak kSZ signal is difficult to extract from CMB observations due to significant contamination from astrophysical foregrounds. We present a machine learning approach to extract $τ$ from simulated kSZ maps. We train advanced machine learning models, including swin transformers, on high-resolution seminumeric simulations of the kSZ signal. To robustly quantify prediction uncertainties of $τ$, we employ the Laplace Approximation (LA). This approach provides an efficient and principled Gaussian approximation to the posterior distribution over the model's weights, allowing for reliable error estimation. We investigate and compare two distinct application modes: a post-hoc LA applied to a pre-trained model, and an online LA where model weights and hyperparameters are optimized jointly by maximizing the marginal likelihood. This approach provides a framework for robustly constraining $τ$ and its associated uncertainty, which can enhance the analysis of upcoming CMB surveys like the Simons Observatory and CMB-S4.