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 Uncertainty


A Bayesian Methodology for Estimation for Sparse Canonical Correlation

arXiv.org Machine Learning

It can be challenging to perform an integrative statistical analysis of multi-view high-dimensional data acquired from different experiments on each subject who participated in a joint study. Canonical Correlation Analysis (CCA) is a statistical procedure for identifying relationships between such data sets. In that context, Structured Sparse CCA (ScSCCA) is a rapidly emerging methodological area that aims for robust modeling of the interrelations between the different data modalities by assuming the corresponding CCA directional vectors to be sparse. Although it is a rapidly growing area of statistical methodology development, there is a need for developing related methodologies in the Bayesian paradigm. In this manuscript, we propose a novel ScSCCA approach where we employ a Bayesian infinite factor model and aim to achieve robust estimation by encouraging sparsity in two different levels of the modeling framework. Firstly, we utilize a multiplicative Half-Cauchy process prior to encourage sparsity at the level of the latent variable loading matrices. Additionally, we promote further sparsity in the covariance matrix by using graphical horseshoe prior or diagonal structure. We conduct multiple simulations to compare the performance of the proposed method with that of other frequently used CCA procedures, and we apply the developed procedures to analyze multi-omics data arising from a breast cancer study.


On Feynman--Kac training of partial Bayesian neural networks

arXiv.org Machine Learning

Recently, partial Bayesian neural networks (pBNNs), which only consider a subset of the parameters to be stochastic, were shown to perform competitively with full Bayesian neural networks. However, pBNNs are often multi-modal in the latent-variable space and thus challenging to approximate with parametric models. To address this problem, we propose an efficient sampling-based training strategy, wherein the training of a pBNN is formulated as simulating a Feynman--Kac model. We then describe variations of sequential Monte Carlo samplers that allow us to simultaneously estimate the parameters and the latent posterior distribution of this model at a tractable computational cost. We show on various synthetic and real-world datasets that our proposed training scheme outperforms the state of the art in terms of predictive performance.


Generator Identification for Linear SDEs with Additive and Multiplicative Noise

arXiv.org Machine Learning

In this paper, we present conditions for identifying the generator of a linear stochastic differential equation (SDE) from the distribution of its solution process with a given fixed initial state. These identifiability conditions are crucial in causal inference using linear SDEs as they enable the identification of the post-intervention distributions from its observational distribution. Specifically, we derive a sufficient and necessary condition for identifying the generator of linear SDEs with additive noise, as well as a sufficient condition for identifying the generator of linear SDEs with multiplicative noise. We show that the conditions derived for both types of SDEs are generic. Moreover, we offer geometric interpretations of the derived identifiability conditions to enhance their understanding. To validate our theoretical results, we perform a series of simulations, which support and substantiate the established findings.


MMM and MMMSynth: Clustering of heterogeneous tabular data, and synthetic data generation

arXiv.org Machine Learning

We provide new algorithms for two tasks relating to heterogeneous tabular datasets: clustering, and synthetic data generation. Tabular datasets typically consist of heterogeneous data types (numerical, ordinal, categorical) in columns, but may also have hidden cluster structure in their rows: for example, they may be drawn from heterogeneous (geographical, socioeconomic, methodological) sources, such that the outcome variable they describe (such as the presence of a disease) may depend not only on the other variables but on the cluster context. Moreover, sharing of biomedical data is often hindered by patient confidentiality laws, and there is current interest in algorithms to generate synthetic tabular data from real data, for example via deep learning. We demonstrate a novel EM-based clustering algorithm, MMM (``Madras Mixture Model''), that outperforms standard algorithms in determining clusters in synthetic heterogeneous data, and recovers structure in real data. Based on this, we demonstrate a synthetic tabular data generation algorithm, MMMsynth, that pre-clusters the input data, and generates cluster-wise synthetic data assuming cluster-specific data distributions for the input columns. We benchmark this algorithm by testing the performance of standard ML algorithms when they are trained on synthetic data and tested on real published datasets. Our synthetic data generation algorithm outperforms other literature tabular-data generators, and approaches the performance of training purely with real data.


The Memory Perturbation Equation: Understanding Model's Sensitivity to Data

arXiv.org Machine Learning

Understanding model's sensitivity to its training data is crucial but can also be challenging and costly, especially during training. To simplify such issues, we present the Memory-Perturbation Equation (MPE) which relates model's sensitivity to perturbation in its training data. Derived using Bayesian principles, the MPE unifies existing sensitivity measures, generalizes them to a wide-variety of models and algorithms, and unravels useful properties regarding sensitivities. Our empirical results show that sensitivity estimates obtained during training can be used to faithfully predict generalization on unseen test data. The proposed equation is expected to be useful for future research on robust and adaptive learning.


NAS-X: Neural Adaptive Smoothing via Twisting

arXiv.org Machine Learning

Sequential latent variable models (SLVMs) are essential tools in statistics and machine learning, with applications ranging from healthcare to neuroscience. As their flexibility increases, analytic inference and model learning can become challenging, necessitating approximate methods. Here we introduce neural adaptive smoothing via twisting (NAS-X), a method that extends reweighted wake-sleep (RWS) to the sequential setting by using smoothing sequential Monte Carlo (SMC) to estimate intractable posterior expectations. Combining RWS and smoothing SMC allows NAS-X to provide low-bias and low-variance gradient estimates, and fit both discrete and continuous latent variable models. We illustrate the theoretical advantages of NAS-X over previous methods and explore these advantages empirically in a variety of tasks, including a challenging application to mechanistic models of neuronal dynamics. These experiments show that NAS-X substantially outperforms previous VI- and RWS-based methods in inference and model learning, achieving lower parameter error and tighter likelihood bounds.


Joint Bayesian Inference of Graphical Structure and Parameters with a Single Generative Flow Network

arXiv.org Machine Learning

Generative Flow Networks (GFlowNets), a class of generative models over discrete and structured sample spaces, have been previously applied to the problem of inferring the marginal posterior distribution over the directed acyclic graph (DAG) of a Bayesian Network, given a dataset of observations. Based on recent advances extending this framework to non-discrete sample spaces, we propose in this paper to approximate the joint posterior over not only the structure of a Bayesian Network, but also the parameters of its conditional probability distributions. We use a single GFlowNet whose sampling policy follows a two-phase process: the DAG is first generated sequentially one edge at a time, and then the corresponding parameters are picked once the full structure is known. Since the parameters are included in the posterior distribution, this leaves more flexibility for the local probability models of the Bayesian Network, making our approach applicable even to non-linear models parametrized by neural networks. We show that our method, called JSP-GFN, offers an accurate approximation of the joint posterior, while comparing favorably against existing methods on both simulated and real data.


Trans-Dimensional Generative Modeling via Jump Diffusion Models

arXiv.org Machine Learning

We propose a new class of generative models that naturally handle data of varying dimensionality by jointly modeling the state and dimension of each datapoint. The generative process is formulated as a jump diffusion process that makes jumps between different dimensional spaces. We first define a dimension destroying forward noising process, before deriving the dimension creating time-reversed generative process along with a novel evidence lower bound training objective for learning to approximate it. Simulating our learned approximation to the time-reversed generative process then provides an effective way of sampling data of varying dimensionality by jointly generating state values and dimensions. We demonstrate our approach on molecular and video datasets of varying dimensionality, reporting better compatibility with test-time diffusion guidance imputation tasks and improved interpolation capabilities versus fixed dimensional models that generate state values and dimensions separately.


Probabilistic inverse optimal control for non-linear partially observable systems disentangles perceptual uncertainty and behavioral costs

arXiv.org Machine Learning

Inverse optimal control can be used to characterize behavior in sequential decision-making tasks. Most existing work, however, is limited to fully observable or linear systems, or requires the action signals to be known. Here, we introduce a probabilistic approach to inverse optimal control for partially observable stochastic non-linear systems with unobserved action signals, which unifies previous approaches to inverse optimal control with maximum causal entropy formulations. Using an explicit model of the noise characteristics of the sensory and motor systems of the agent in conjunction with local linearization techniques, we derive an approximate likelihood function for the model parameters, which can be computed within a single forward pass. We present quantitative evaluations on stochastic and partially observable versions of two classic control tasks and two human behavioral tasks. Importantly, we show that our method can disentangle perceptual factors and behavioral costs despite the fact that epistemic and pragmatic actions are intertwined in sequential decision-making under uncertainty, such as in active sensing and active learning. The proposed method has broad applicability, ranging from imitation learning to sensorimotor neuroscience.


Backward and Forward Inference in Interacting Independent-Cascade Processes: A Scalable and Convergent Message-Passing Approach

arXiv.org Machine Learning

We study the problems of estimating the past and future evolutions of two diffusion processes that spread concurrently on a network. Specifically, given a known network $G=(V, \overrightarrow{E})$ and a (possibly noisy) snapshot $\mathcal{O}_n$ of its state taken at (a possibly unknown) time $W$, we wish to determine the posterior distributions of the initial state of the network and the infection times of its nodes. These distributions are useful in finding source nodes of epidemics and rumors -- $\textit{backward inference}$ -- , and estimating the spread of a fixed set of source nodes -- $\textit{forward inference}$. To model the interaction between the two processes, we study an extension of the independent-cascade (IC) model where, when a node gets infected with either process, its susceptibility to the other one changes. First, we derive the exact joint probability of the initial state of the network and the observation-snapshot $\mathcal{O}_n$. Then, using the machinery of factor-graphs, factor-graph transformations, and the generalized distributive-law, we derive a Belief-Propagation (BP) based algorithm that is scalable to large networks and can converge on graphs of arbitrary topology (at a likely expense in approximation accuracy).