Learning Graphical Models
New Rules for Domain Independent Lifted MAP Inference
Lifted inference algorithms for probabilistic first-order logic frameworks such as Markov logic networks (MLNs) have received significant attention in recent years. These algorithms use so called lifting rules to identify symmetries in the first-order representation and reduce the inference problem over a large probabilistic model to an inference problem over a much smaller model. In this paper, we present two new lifting rules, which enable fast MAP inference in a large class of MLNs. Our first rule uses the concept of single occurrence equivalence class of logical variables, which we define in the paper. The rule states that the MAP assignment over an MLN can be recovered from a much smaller MLN, in which each logical variable in each single occurrence equivalence class is replaced by a constant (i.e., an object in the domain of the variable).
Stochastic variational inference for hidden Markov models
Variational inference algorithms have proven successful for Bayesian analysis in large data settings, with recent advances using stochastic variational inference (SVI). However, such methods have largely been studied in independent or exchangeable data settings. We develop an SVI algorithm to learn the parameters of hidden Markov models (HMMs) in a time-dependent data setting. The challenge in applying stochastic optimization in this setting arises from dependencies in the chain, which must be broken to consider minibatches of observations. We propose an algorithm that harnesses the memory decay of the chain to adaptively bound errors arising from edge effects. We demonstrate the effectiveness of our algorithm on synthetic experiments and a large genomics dataset where a batch algorithm is computationally infeasible.
Structure learning in polynomial time: Greedy algorithms, Bregman information, and exponential families
Greedy algorithms have long been a workhorse for learning graphical models, and more broadly for learning statistical models with sparse structure. In the context of learning directed acyclic graphs, greedy algorithms are popular despite their worst-case exponential runtime. In practice, however, they are very efficient. We provide new insight into this phenomenon by studying a general greedy score-based algorithm for learning DAGs. Unlike edge-greedy algorithms such as the popular GES and hill-climbing algorithms, our approach is vertex-greedy and requires at most a polynomial number of score evaluations.
Learning Chordal Markov Networks by Dynamic Programming
We present an algorithm for finding a chordal Markov network that maximizes any given decomposable scoring function. The algorithm is based on a recursive characterization of clique trees, and it runs in O(4 n) time for n vertices. On an eight-vertex benchmark instance, our implementation turns out to be about ten million times faster than a recently proposed, constraint satisfaction based algorithm (Corander et al., NIPS 2013). Within a few hours, it is able to solve instances up to 18 vertices, and beyond if we restrict the maximum clique size. We also study the performance of a recent integer linear programming algorithm (Bartlett and Cussens, UAI 2013).
Distinguishing discrete and continuous behavioral variability using warped autoregressive HMMs
A core goal in systems neuroscience and neuroethology is to understand how neural circuits generate naturalistic behavior. One foundational idea is that complex naturalistic behavior may be composed of sequences of stereotyped behavioral syllables, which combine to generate rich sequences of actions. To investigate this, a common approach is to use autoregressive hidden Markov models (ARHMMs) to segment video into discrete behavioral syllables. While these approaches have been successful in extracting syllables that are interpretable, they fail to account for other forms of behavioral variability, such as differences in speed, which may be better described as continuous in nature. To overcome these limitations, we introduce a class of warped ARHMMs (WARHMM). As is the case in the ARHMM, behavior is modeled as a mixture of autoregressive dynamics.
Dissertation Machine Learning in Materials Science -- A case study in Carbon Nanotube field effect transistors
Carbon Nanotube has long been seen as a promising candidate for high-performance electronic material, yet its unique 1D structure leads to challenges in device fabrication. Many processing approaches have been proposed to produce better performing CNTFETs and this explosion of data needs an efficient way to explore.
Unfolding Tensors to Identify the Graph in Discrete Latent Bipartite Graphical Models
We use a tensor unfolding technique to prove a new identifiability result for discrete bipartite graphical models, which have a bipartite graph between an observed and a latent layer. This model family includes popular models such as Noisy-Or Bayesian networks for medical diagnosis and Restricted Boltzmann Machines in machine learning. These models are also building blocks for deep generative models. Our result on identifying the graph structure enjoys the following nice properties. First, our identifiability proof is constructive, in which we innovatively unfold the population tensor under the model into matrices and inspect the rank properties of the resulting matrices to uncover the graph. This proof itself gives a population-level structure learning algorithm that outputs both the number of latent variables and the bipartite graph. Second, we allow various forms of nonlinear dependence among the variables, unlike many continuous latent variable graphical models that rely on linearity to show identifiability. Third, our identifiability condition is interpretable, only requiring each latent variable to connect to at least two "pure" observed variables in the bipartite graph. The new result not only brings novel advances in algebraic statistics, but also has useful implications for these models' trustworthy applications in scientific disciplines and interpretable machine learning.
Adaptive Target Localization under Uncertainty using Multi-Agent Deep Reinforcement Learning with Knowledge Transfer
Alagha, Ahmed, Mizouni, Rabeb, Singh, Shakti, Bentahar, Jamal, Otrok, Hadi
Target localization is a critical task in sensitive applications, where multiple sensing agents communicate and collaborate to identify the target location based on sensor readings. Existing approaches investigated the use of Multi-Agent Deep Reinforcement Learning (MADRL) to tackle target localization. Nevertheless, these methods do not consider practical uncertainties, like false alarms when the target does not exist or when it is unreachable due to environmental complexities. To address these drawbacks, this work proposes a novel MADRL-based method for target localization in uncertain environments. The proposed MADRL method employs Proximal Policy Optimization to optimize the decision-making of sensing agents, which is represented in the form of an actor-critic structure using Convolutional Neural Networks. The observations of the agents are designed in an optimized manner to capture essential information in the environment, and a team-based reward functions is proposed to produce cooperative agents. The MADRL method covers three action dimensionalities that control the agents' mobility to search the area for the target, detect its existence, and determine its reachability. Using the concept of Transfer Learning, a Deep Learning model builds on the knowledge from the MADRL model to accurately estimating the target location if it is unreachable, resulting in shared representations between the models for faster learning and lower computational complexity. Collectively, the final combined model is capable of searching for the target, determining its existence and reachability, and estimating its location accurately. The proposed method is tested using a radioactive target localization environment and benchmarked against existing methods, showing its efficacy.
Enhancing Diagnostic in 3D COVID-19 Pneumonia CT-scans through Explainable Uncertainty Bayesian Quantification
Fierro, Juan Manuel Liscano, Hortua, Hector J.
Accurately classifying COVID-19 pneumonia in 3D CT scans remains a significant challenge in the field of medical image analysis. Although deterministic neural networks have shown promising results in this area, they provide only point estimates outputs yielding poor diagnostic in clinical decision-making. In this paper, we explore the use of Bayesian neural networks for classifying COVID-19 pneumonia in 3D CT scans providing uncertainties in their predictions. We compare deterministic networks and their Bayesian counterpart, enhancing the decision-making accuracy under uncertainty information. Remarkably, our findings reveal that lightweight architectures achieve the highest accuracy of 96\% after developing extensive hyperparameter tuning. Furthermore, the Bayesian counterpart of these architectures via Multiplied Normalizing Flow technique kept a similar performance along with calibrated uncertainty estimates. Finally, we have developed a 3D-visualization approach to explain the neural network outcomes based on SHAP values. We conclude that explainability along with uncertainty quantification will offer better clinical decisions in medical image analysis, contributing to ongoing efforts for improving the diagnosis and treatment of COVID-19 pneumonia.
Deep Operator Networks for Bayesian Parameter Estimation in PDEs
Raj, Amogh, Gudumotou, Carol Eunice, Bun, Sakol, Srinivasa, Keerthana, Sarshar, Arash
We present a novel framework combining Deep Operator Networks (DeepONets) with Physics-Informed Neural Networks (PINNs) to solve partial differential equations (PDEs) and estimate their unknown parameters. By integrating data-driven learning with physical constraints, our method achieves robust and accurate solutions across diverse scenarios. Bayesian training is implemented through variational inference, allowing for comprehensive uncertainty quantification for both aleatoric and epistemic uncertainties. This ensures reliable predictions and parameter estimates even in noisy conditions or when some of the physical equations governing the problem are missing. The framework demonstrates its efficacy in solving forward and inverse problems, including the 1D unsteady heat equation and 2D reaction-diffusion equations, as well as regression tasks with sparse, noisy observations. This approach provides a computationally efficient and generalizable method for addressing uncertainty quantification in PDE surrogate modeling.