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 Uncertainty


Causal discovery under a confounder blanket

arXiv.org Machine Learning

Inferring causal relationships from observational data is rarely straightforward, but the problem is especially difficult in high dimensions. For these applications, causal discovery algorithms typically require parametric restrictions or extreme sparsity constraints. We relax these assumptions and focus on an important but more specialized problem, namely recovering the causal order among a subgraph of variables known to descend from some (possibly large) set of confounding covariates, i.e. a $\textit{confounder blanket}$. This is useful in many settings, for example when studying a dynamic biomolecular subsystem with genetic data providing background information. Under a structural assumption called the $\textit{confounder blanket principle}$, which we argue is essential for tractable causal discovery in high dimensions, our method accommodates graphs of low or high sparsity while maintaining polynomial time complexity. We present a structure learning algorithm that is provably sound and complete with respect to a so-called $\textit{lazy oracle}$. We design inference procedures with finite sample error control for linear and nonlinear systems, and demonstrate our approach on a range of simulated and real-world datasets. An accompanying $\texttt{R}$ package, $\texttt{cbl}$, is available from $\texttt{CRAN}$.


What are Diffusion Models?

#artificialintelligence

So far, I've written about three types of generative models, GAN, VAE, and Flow-based models. They have shown great success in generating high-quality samples, but each has some limitations of its own. GAN models are known for potentially unstable training and less diversity in generation due to their adversarial training nature. VAE relies on a surrogate loss. Flow models have to use specialized architectures to construct reversible transform.


Top Posts June 20-26: 20 Basic Linux Commands for Data Science Beginners - KDnuggets

#artificialintelligence

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On the Complexity of Adversarial Decision Making

arXiv.org Machine Learning

A central problem in online learning and decision making -- from bandits to reinforcement learning -- is to understand what modeling assumptions lead to sample-efficient learning guarantees. We consider a general adversarial decision making framework that encompasses (structured) bandit problems with adversarial rewards and reinforcement learning problems with adversarial dynamics. Our main result is to show -- via new upper and lower bounds -- that the Decision-Estimation Coefficient, a complexity measure introduced by Foster et al. in the stochastic counterpart to our setting, is necessary and sufficient to obtain low regret for adversarial decision making. However, compared to the stochastic setting, one must apply the Decision-Estimation Coefficient to the convex hull of the class of models (or, hypotheses) under consideration. This establishes that the price of accommodating adversarial rewards or dynamics is governed by the behavior of the model class under convexification, and recovers a number of existing results -- both positive and negative. En route to obtaining these guarantees, we provide new structural results that connect the Decision-Estimation Coefficient to variants of other well-known complexity measures, including the Information Ratio of Russo and Van Roy and the Exploration-by-Optimization objective of Lattimore and Gy\"{o}rgy.


Maximum Likelihood Training for Score-Based Diffusion ODEs by High-Order Denoising Score Matching

arXiv.org Machine Learning

Score-based generative models have excellent performance in terms of generation quality and likelihood. They model the data distribution by matching a parameterized score network with first-order data score functions. The score network can be used to define an ODE ("score-based diffusion ODE") for exact likelihood evaluation. However, the relationship between the likelihood of the ODE and the score matching objective is unclear. In this work, we prove that matching the first-order score is not sufficient to maximize the likelihood of the ODE, by showing a gap between the maximum likelihood and score matching objectives. To fill up this gap, we show that the negative likelihood of the ODE can be bounded by controlling the first, second, and third-order score matching errors; and we further present a novel high-order denoising score matching method to enable maximum likelihood training of score-based diffusion ODEs. Our algorithm guarantees that the higher-order matching error is bounded by the training error and the lower-order errors. We empirically observe that by high-order score matching, score-based diffusion ODEs achieve better likelihood on both synthetic data and CIFAR-10, while retaining the high generation quality.


Entropy-based Characterization of Modeling Constraints

arXiv.org Machine Learning

In most data-scientific approaches, the principle of Maximum Entropy (MaxEnt) is used to a posteriori justify some parametric model which has been already chosen based on experience, prior knowledge or computational simplicity. In a perpendicular formulation to conventional model building, we start from the linear system of phenomenological constraints and asymptotically derive the distribution over all viable distributions that satisfy the provided set of constraints. The MaxEnt distribution plays a special role, as it is the most typical among all phenomenologically viable distributions representing a good expansion point for large-N techniques. This enables us to consistently formulate hypothesis testing in a fully-data driven manner. The appropriate parametric model which is supported by the data can be always deduced at the end of model selection. In the MaxEnt framework, we recover major scores and selection procedures used in multiple applications and assess their ability to capture associations in the data-generating process and identify the most generalizable model. This data-driven counterpart of standard model selection demonstrates the unifying prospective of the deductive logic advocated by MaxEnt principle, while potentially shedding new insights to the inverse problem.


Pen and Paper Exercises in Machine Learning

arXiv.org Machine Learning

This is a collection of (mostly) pen-and-paper exercises in machine learning. The exercises are on the following topics: linear algebra, optimisation, directed graphical models, undirected graphical models, expressive power of graphical models, factor graphs and message passing, inference for hidden Markov models, model-based learning (including ICA and unnormalised models), sampling and Monte-Carlo integration, and variational inference.


Distributional Gaussian Processes Layers for Out-of-Distribution Detection

arXiv.org Machine Learning

Machine learning models deployed on medical imaging tasks must be equipped with out-of-distribution detection capabilities in order to avoid erroneous predictions. It is unsure whether out-of-distribution detection models reliant on deep neural networks are suitable for detecting domain shifts in medical imaging. Gaussian Processes can reliably separate in-distribution data points from out-of-distribution data points via their mathematical construction. Hence, we propose a parameter efficient Bayesian layer for hierarchical convolutional Gaussian Processes that incorporates Gaussian Processes operating in Wasserstein-2 space to reliably propagate uncertainty. This directly replaces convolving Gaussian Processes with a distance-preserving affine operator on distributions. Our experiments on brain tissue-segmentation show that the resulting architecture approaches the performance of well-established deterministic segmentation algorithms (U-Net), which has not been achieved with previous hierarchical Gaussian Processes. Moreover, by applying the same segmentation model to out-of-distribution data (i.e., images with pathology such as brain tumors), we show that our uncertainty estimates result in out-of-distribution detection that outperforms the capabilities of previous Bayesian networks and reconstruction-based approaches that learn normative distributions. To facilitate future work our code is publicly available.


Conditional Simulation Using Diffusion Schr\"odinger Bridges

arXiv.org Machine Learning

Denoising diffusion models have recently emerged as a powerful class of generative models. They provide state-of-the-art results, not only for unconditional simulation, but also when used to solve conditional simulation problems arising in a wide range of inverse problems. A limitation of these models is that they are computationally intensive at generation time as they require simulating a diffusion process over a long time horizon. When performing unconditional simulation, a Schr\"odinger bridge formulation of generative modeling leads to a theoretically grounded algorithm shortening generation time which is complementary to other proposed acceleration techniques. We extend the Schr\"odinger bridge framework to conditional simulation. We demonstrate this novel methodology on various applications including image super-resolution, optimal filtering for state-space models and the refinement of pre-trained networks. Our code can be found at https://github.com/vdeborto/cdsb.


Scalable Spike-and-Slab

arXiv.org Machine Learning

Spike-and-slab priors are commonly used for Bayesian variable selection, due to their interpretability and favorable statistical properties. However, existing samplers for spike-and-slab posteriors incur prohibitive computational costs when the number of variables is large. In this article, we propose Scalable Spike-and-Slab ($S^3$), a scalable Gibbs sampling implementation for high-dimensional Bayesian regression with the continuous spike-and-slab prior of George and McCulloch (1993). For a dataset with $n$ observations and $p$ covariates, $S^3$ has order $\max\{ n^2 p_t, np \}$ computational cost at iteration $t$ where $p_t$ never exceeds the number of covariates switching spike-and-slab states between iterations $t$ and $t-1$ of the Markov chain. This improves upon the order $n^2 p$ per-iteration cost of state-of-the-art implementations as, typically, $p_t$ is substantially smaller than $p$. We apply $S^3$ on synthetic and real-world datasets, demonstrating orders of magnitude speed-ups over existing exact samplers and significant gains in inferential quality over approximate samplers with comparable cost.