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 Uncertainty


Variational Neural Stochastic Differential Equations with Change Points

arXiv.org Machine Learning

In this work, we explore modeling change points in time-series data using neural stochastic differential equations (neural SDEs). We propose a novel model formulation and training procedure based on the variational autoencoder (VAE) framework for modeling time-series as a neural SDE. Unlike existing algorithms training neural SDEs as VAEs, our proposed algorithm only necessitates a Gaussian prior of the initial state of the latent stochastic process, rather than a Wiener process prior on the entire latent stochastic process. We develop two methodologies for modeling and estimating change points in time-series data with distribution shifts. Our iterative algorithm alternates between updating neural SDE parameters and updating the change points based on either a maximum likelihood-based approach or a change point detection algorithm using the sequential likelihood ratio test. We provide a theoretical analysis of this proposed change point detection scheme. Finally, we present an empirical evaluation that demonstrates the expressive power of our proposed model, showing that it can effectively model both classical parametric SDEs and some real datasets with distribution shifts.


A Semiparametric Approach to Causal Inference

arXiv.org Machine Learning

In causal inference, an important problem is to quantify the effects of interventions or treatments. Many studies focus on estimating the mean causal effects; however, these estimands may offer limited insight since two distributions can share the same mean yet exhibit significant differences. Examining the causal effects from a distributional perspective provides a more thorough understanding. In this paper, we employ a semiparametric density ratio model (DRM) to characterize the counterfactual distributions, introducing a framework that assumes a latent structure shared by these distributions. Our model offers flexibility by avoiding strict parametric assumptions on the counterfactual distributions. Specifically, the DRM incorporates a nonparametric component that can be estimated through the method of empirical likelihood (EL), using the data from all the groups stemming from multiple interventions. Consequently, the EL-DRM framework enables inference of the counterfactual distribution functions and their functionals, facilitating direct and transparent causal inference from a distributional perspective. Numerical studies on both synthetic and real-world data validate the effectiveness of our approach.


Uncertainty-based Offline Variational Bayesian Reinforcement Learning for Robustness under Diverse Data Corruptions

arXiv.org Artificial Intelligence

Real-world offline datasets are often subject to data corruptions (such as noise or adversarial attacks) due to sensor failures or malicious attacks. Despite advances in robust offline reinforcement learning (RL), existing methods struggle to learn robust agents under high uncertainty caused by the diverse corrupted data (i.e., corrupted states, actions, rewards, and dynamics), leading to performance degradation in clean environments. To tackle this problem, we propose a novel robust variational Bayesian inference for offline RL (TRACER). It introduces Bayesian inference for the first time to capture the uncertainty via offline data for robustness against all types of data corruptions. Specifically, TRACER first models all corruptions as the uncertainty in the action-value function. Then, to capture such uncertainty, it uses all offline data as the observations to approximate the posterior distribution of the action-value function under a Bayesian inference framework. An appealing feature of TRACER is that it can distinguish corrupted data from clean data using an entropy-based uncertainty measure, since corrupted data often induces higher uncertainty and entropy. Based on the aforementioned measure, TRACER can regulate the loss associated with corrupted data to reduce its influence, thereby enhancing robustness and performance in clean environments. Experiments demonstrate that TRACER significantly outperforms several state-of-the-art approaches across both individual and simultaneous data corruptions.


Contrasting with Symile: Simple Model-Agnostic Representation Learning for Unlimited Modalities

arXiv.org Machine Learning

Contrastive learning methods, such as CLIP, leverage naturally paired data-for example, images and their corresponding text captions-to learn general representations that transfer efficiently to downstream tasks. While such approaches are generally applied to two modalities, domains such as robotics, healthcare, and video need to support many types of data at once. We show that the pairwise application of CLIP fails to capture joint information between modalities, thereby limiting the quality of the learned representations. To address this issue, we present Symile, a simple contrastive learning approach that captures higher-order information between any number of modalities. Symile provides a flexible, architecture-agnostic objective for learning modality-specific representations. To develop Symile's objective, we derive a lower bound on total correlation, and show that Symile representations for any set of modalities form a sufficient statistic for predicting the remaining modalities. Symile outperforms pairwise CLIP, even with modalities missing in the data, on cross-modal classification and retrieval across several experiments including on an original multilingual dataset of 33M image, text and audio samples and a clinical dataset of chest X-rays, electrocardiograms, and laboratory measurements. All datasets and code used in this work are publicly available at https://github.com/rajesh-lab/symile.


Residual Deep Gaussian Processes on Manifolds

arXiv.org Machine Learning

We propose practical deep Gaussian process models on Riemannian manifolds, similar in spirit to residual neural networks. With manifold-to-manifold hidden layers and an arbitrary last layer, they can model manifold-and scalar-valued functions, as well as vector fields. We target data inherently supported on manifolds, which is too complex for shallow Gaussian processes thereon. For example, while the latter perform well on high-altitude wind data, they struggle with the more intricate, nonstationary patterns at low altitudes. Our models significantly improve performance in these settings, enhancing prediction quality and uncertainty calibration, and remain robust to overfitting, reverting to shallow models when additional complexity is unneeded. We further showcase our models on Bayesian optimisation problems on manifolds, using stylised examples motivated by robotics, and obtain substantial improvements in later stages of the optimisation process. Finally, we show our models to have potential for speeding up inference for nonmanifold data, when, and if, it can be mapped to a proxy manifold well enough. Gaussian processes (GPs) are a widely adopted model class for learning functions within the Bayesian framework (Rasmussen and Williams, 2006). They offer accurate uncertainty estimates and perform well even when data is scarce. Consequently, GPs have found success in decisionmaking tasks, where well-calibrated uncertainty is key, including Bayesian optimisation (Snoek et al., 2012), active (Krause et al., 2008) and reinforcement (Kamthe and Deisenroth, 2018) learning. In recent years, substantial work went into developing the analogs of practical GP models on various non-Euclidean domains (Borovitskiy et al., 2021; 2023; 2020; Fichera et al., 2023).


Inclusive KL Minimization: A Wasserstein-Fisher-Rao Gradient Flow Perspective

arXiv.org Machine Learning

Otto's (2001) Wasserstein gradient flow of the exclusive KL divergence functional provides a powerful and mathematically principled perspective for analyzing learning and inference algorithms. In contrast, algorithms for the inclusive KL inference, i.e., minimizing $ \mathrm{KL}(\pi \| \mu) $ with respect to $ \mu $ for some target $ \pi $, are rarely analyzed using tools from mathematical analysis. This paper shows that a general-purpose approximate inclusive KL inference paradigm can be constructed using the theory of gradient flows derived from PDE analysis. We uncover that several existing learning algorithms can be viewed as particular realizations of the inclusive KL inference paradigm. For example, existing sampling algorithms such as Arbel et al. (2019) and Korba et al. (2021) can be viewed in a unified manner as inclusive-KL inference with approximate gradient estimators. Finally, we provide the theoretical foundation for the Wasserstein-Fisher-Rao gradient flows for minimizing the inclusive KL divergence.


Multi-environment Topic Models

arXiv.org Artificial Intelligence

Probabilistic topic models are a powerful tool for extracting latent themes from large text datasets. In many text datasets, we also observe per-document covariates (e.g., source, style, political affiliation) that act as environments that modulate a "global" (environment-agnostic) topic representation. Accurately learning these representations is important for prediction on new documents in unseen environments and for estimating the causal effect of topics on real-world outcomes. To this end, we introduce the Multi-environment Topic Model (MTM), an unsupervised probabilistic model that separates global and environment-specific terms. Through experimentation on various political content, from ads to tweets and speeches, we show that the MTM produces interpretable global topics with distinct environment-specific words. On multi-environment data, the MTM outperforms strong baselines in and out-of-distribution. It also enables the discovery of accurate causal effects.


Learning local discrete features in explainable-by-design convolutional neural networks

arXiv.org Artificial Intelligence

Our proposed framework attempts to break the trade-off between performance and explainability by introducing an explainable-by-design convolutional neural network (CNN) based on the lateral inhibition mechanism. The ExplaiNet model consists of the predictor, that is a high-accuracy CNN with residual or dense skip connections, and the explainer probabilistic graph that expresses the spatial interactions of the network neurons. The value on each graph node is a local discrete feature (LDF) vector, a patch descriptor that represents the indices of antagonistic neurons ordered by the strength of their activations, which are learned with gradient descent. Using LDFs as sequences we can increase the conciseness of explanations by repurposing EXTREME, an EM-based sequence motif discovery method that is typically used in molecular biology. Having a discrete feature motif matrix for each one of intermediate image representations, instead of a continuous activation tensor, allows us to leverage the inherent explainability of Bayesian networks. By collecting observations and directly calculating probabilities, we can explain causal relationships between motifs of adjacent levels and attribute the model's output to global motifs. Moreover, experiments on various tiny image benchmark datasets confirm that our predictor ensures the same level of performance as the baseline architecture for a given count of parameters and/or layers. Our novel method shows promise to exceed this performance while providing an additional stream of explanations. In the solved MNIST classification task, it reaches a comparable to the state-of-the-art performance for single models, using standard training setup and 0.75 million parameters.


Efficient Model Compression for Bayesian Neural Networks

arXiv.org Machine Learning

Model Compression has drawn much attention within the deep learning community recently. Compressing a dense neural network offers many advantages including lower computation cost, deployability to devices of limited storage and memories, and resistance to adversarial attacks. This may be achieved via weight pruning or fully discarding certain input features. Here we demonstrate a novel strategy to emulate principles of Bayesian model selection in a deep learning setup. Given a fully connected Bayesian neural network with spike-and-slab priors trained via a variational algorithm, we obtain the posterior inclusion probability for every node that typically gets lost. We employ these probabilities for pruning and feature selection on a host of simulated and real-world benchmark data and find evidence of better generalizability of the pruned model in all our experiments.


Label Noise: Ignorance Is Bliss

arXiv.org Machine Learning

We establish a new theoretical framework for learning under multi-class, instance-dependent label noise. This framework casts learning with label noise as a form of domain adaptation, in particular, domain adaptation under posterior drift. We introduce the concept of \emph{relative signal strength} (RSS), a pointwise measure that quantifies the transferability from noisy to clean posterior. Using RSS, we establish nearly matching upper and lower bounds on the excess risk. Our theoretical findings support the simple \emph{Noise Ignorant Empirical Risk Minimization (NI-ERM)} principle, which minimizes empirical risk while ignoring label noise. Finally, we translate this theoretical insight into practice: by using NI-ERM to fit a linear classifier on top of a self-supervised feature extractor, we achieve state-of-the-art performance on the CIFAR-N data challenge.