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 Uncertainty


Observation-Guided Diffusion Probabilistic Models

arXiv.org Artificial Intelligence

We propose a novel diffusion model called observation-guided diffusion probabilistic model (OGDM), which effectively addresses the trade-off between quality control and fast sampling. Our approach reestablishes the training objective by integrating the guidance of the observation process with the Markov chain in a principled way. This is achieved by introducing an additional loss term derived from the observation based on the conditional discriminator on noise level, which employs Bernoulli distribution indicating whether its input lies on the (noisy) real manifold or not. This strategy allows us to optimize the more accurate negative log-likelihood induced in the inference stage especially when the number of function evaluations is limited. The proposed training method is also advantageous even when incorporated only into the fine-tuning process, and it is compatible with various fast inference strategies since our method yields better denoising networks using the exactly same inference procedure without incurring extra computational cost. We demonstrate the effectiveness of the proposed training algorithm using diverse inference methods on strong diffusion model baselines.


Robust Transfer Learning with Unreliable Source Data

arXiv.org Machine Learning

This paper addresses challenges in robust transfer learning stemming from ambiguity in Bayes classifiers and weak transferable signals between the target and source distribution. We introduce a novel quantity called the ''ambiguity level'' that measures the discrepancy between the target and source regression functions, propose a simple transfer learning procedure, and establish a general theorem that shows how this new quantity is related to the transferability of learning in terms of risk improvements. Our proposed ''Transfer Around Boundary'' (TAB) model, with a threshold balancing the performance of target and source data, is shown to be both efficient and robust, improving classification while avoiding negative transfer. Moreover, we demonstrate the effectiveness of the TAB model on non-parametric classification and logistic regression tasks, achieving upper bounds which are optimal up to logarithmic factors. Simulation studies lend further support to the effectiveness of TAB. We also provide simple approaches to bound the excess misclassification error without the need for specialized knowledge in transfer learning.


TNDDR: Efficient and doubly robust estimation of COVID-19 vaccine effectiveness under the test-negative design

arXiv.org Machine Learning

While the test-negative design (TND), which is routinely used for monitoring seasonal flu vaccine effectiveness (VE), has recently become integral to COVID-19 vaccine surveillance, it is susceptible to selection bias due to outcome-dependent sampling. Some studies have addressed the identifiability and estimation of causal parameters under the TND, but efficiency bounds for nonparametric estimators of the target parameter under the unconfoundedness assumption have not yet been investigated. We propose a one-step doubly robust and locally efficient estimator called TNDDR (TND doubly robust), which utilizes sample splitting and can incorporate machine learning techniques to estimate the nuisance functions. We derive the efficient influence function (EIF) for the marginal expectation of the outcome under a vaccination intervention, explore the von Mises expansion, and establish the conditions for $\sqrt{n}-$consistency, asymptotic normality and double robustness of TNDDR. The proposed TNDDR is supported by both theoretical and empirical justifications, and we apply it to estimate COVID-19 VE in an administrative dataset of community-dwelling older people (aged $\geq 60$y) in the province of Qu\'ebec, Canada.


Integrating Transformations in Probabilistic Circuits

arXiv.org Machine Learning

This study addresses the predictive limitation of probabilistic circuits and introduces transformations as a remedy to overcome it. We demonstrate this limitation in robotic scenarios. We motivate that independent component analysis is a sound tool to preserve the independence properties of probabilistic circuits. Our approach is an extension of joint probability trees, which are model-free deterministic circuits. By doing so, it is demonstrated that the proposed approach is able to achieve higher likelihoods while using fewer parameters compared to the joint probability trees on seven benchmark data sets as well as on real robot data. Furthermore, we discuss how to integrate transformations into tree-based learning routines. Finally, we argue that exact inference with transformed quantile parameterized distributions is not tractable. However, our approach allows for efficient sampling and approximate inference.


Model-based causal feature selection for general response types

arXiv.org Machine Learning

Discovering causal relationships from observational data is a fundamental yet challenging task. Invariant causal prediction (ICP, Peters et al., 2016) is a method for causal feature selection which requires data from heterogeneous settings and exploits that causal models are invariant. ICP has been extended to general additive noise models and to nonparametric settings using conditional independence tests. However, the latter often suffer from low power (or poor type I error control) and additive noise models are not suitable for applications in which the response is not measured on a continuous scale, but reflects categories or counts. Here, we develop transformation-model (TRAM) based ICP, allowing for continuous, categorical, count-type, and uninformatively censored responses (these model classes, generally, do not allow for identifiability when there is no exogenous heterogeneity). As an invariance test, we propose TRAM-GCM based on the expected conditional covariance between environments and score residuals with uniform asymptotic level guarantees. For the special case of linear shift TRAMs, we also consider TRAM-Wald, which tests invariance based on the Wald statistic. We provide an open-source R package 'tramicp' and evaluate our approach on simulated data and in a case study investigating causal features of survival in critically ill patients.


Fishnets: Information-Optimal, Scalable Aggregation for Sets and Graphs

arXiv.org Machine Learning

Set-based learning is an essential component of modern deep learning and network science. Graph Neural Networks (GNNs) and their edge-free counterparts Deepsets have proven remarkably useful on ragged and topologically challenging datasets. The key to learning informative embeddings for set members is a specified aggregation function, usually a sum, max, or mean. We propose Fishnets, an aggregation strategy for learning information-optimal embeddings for sets of data for both Bayesian inference and graph aggregation. We demonstrate that i) Fishnets neural summaries can be scaled optimally to an arbitrary number of data objects, ii) Fishnets aggregations are robust to changes in data distribution, unlike standard deepsets, iii) Fishnets saturate Bayesian information content and extend to regimes where MCMC techniques fail and iv) Fishnets can be used as a drop-in aggregation scheme within GNNs. We show that by adopting a Fishnets aggregation scheme for message passing, GNNs can achieve state-of-the-art performance versus architecture size on ogbn-protein data over existing benchmarks with a fraction of learnable parameters and faster training time.


Stable Training of Probabilistic Models Using the Leave-One-Out Maximum Log-Likelihood Objective

arXiv.org Machine Learning

Probabilistic modelling of power systems operation and planning processes depends on data-driven methods, which require sufficiently large datasets. When historical data lacks this, it is desired to model the underlying data generation mechanism as a probability distribution to assess the data quality and generate more data, if needed. Kernel density estimation (KDE) based models are popular choices for this task, but they fail to adapt to data regions with varying densities. In this paper, an adaptive KDE model is employed to circumvent this, where each kernel in the model has an individual bandwidth. The leave-one-out maximum log-likelihood (LOO-MLL) criterion is proposed to prevent the singular solutions that the regular MLL criterion gives rise to, and it is proven that LOO-MLL prevents these. Relying on this guaranteed robustness, the model is extended by assigning learnable weights to the kernels. In addition, a modified expectation-maximization algorithm is employed to accelerate the optimization speed reliably. The performance of the proposed method and models are exhibited on two power systems datasets using different statistical tests and by comparison with Gaussian mixture models. Results show that the proposed models have promising performance, in addition to their singularity prevention guarantees.


Plug-and-Play Posterior Sampling under Mismatched Measurement and Prior Models

arXiv.org Machine Learning

Many imaging problems can be formulated as inverse problems seeking to recover high-quality images from their low-quality observations. Such problems arise across the fields of biomedical imaging (McCann et al., 2017a), computer vision (Pizlo, 2001), and computational imaging (Ongie et al., 2020). Since imaging inverse problems are generally ill-posed, it is common to apply prior models on the desired images. There has been significant progress in developing Deep Learning (DL) based image priors, where a deep model is trained to directly map degraded observations to images (McCann et al., 2017b; Jin et al., 2017; Li et al., 2020). Model-based DL (MBDL) is an alternative to traditional DL that explicitly uses knowledge of the forward model by integrating DL denoisers as implicit priors into model-based optimization algorithms (Venkatakrishnan et al., 2013; Romano et al., 2017). It has been generally observed that learned denoisers are essential for achieving the state-of-the-art results in many imaging contexts (Metzler et al., 2018; Ulondu-Mendes et al., 2023; Ryu et al., 2019; Hurault et al., 2022; Wu et al., 2020). However, most prior work in the area has focused on methods that can only produce point estimates without any quantification of the reconstruction uncertainty (Belhasin et al., 2023), which can be essential in critical applications such as healthcare or security (Liu et al., 2023). In recent years, the exploration of strategies for sampling from the posterior probability has emerged as a focal point in the field of inverse problem in imaging (Pereyra et al., 2015; Bouman & Buzzard, 2023; Chung et al., 2023; Song et al., 2022). This pursuit has given rise to a plethora of techniques, encompassing wellestablished methods such as Gibbs sampling (Coeurdoux et al., 2023), the Unadjusted Langevin Algorithm


Variational Inference for GARCH-family Models

arXiv.org Machine Learning

The Bayesian estimation of GARCH-family models has been typically addressed through Monte Carlo sampling. Variational Inference is gaining popularity and attention as a robust approach for Bayesian inference in complex machine learning models; however, its adoption in econometrics and finance is limited. This paper discusses the extent to which Variational Inference constitutes a reliable and feasible alternative to Monte Carlo sampling for Bayesian inference in GARCH-like models. Through a large-scale experiment involving the constituents of the S&P 500 index, several Variational Inference optimizers, a variety of volatility models, and a case study, we show that Variational Inference is an attractive, remarkably well-calibrated, and competitive method for Bayesian learning.


Maximum Likelihood Estimation of Latent Variable Structural Equation Models: A Neural Network Approach

arXiv.org Machine Learning

We propose a graphical structure for structural equation models that is stable under marginalization under linearity and Gaussianity assumptions. We show that computing the maximum likelihood estimation of this model is equivalent to training a neural network. We implement a GPU-based algorithm that computes the maximum likelihood estimation of these models.