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 Learning Graphical Models


Automated adaptive inference of coarse-grained dynamical models in systems biology

arXiv.org Machine Learning

Cellular regulatory dynamics is driven by large and intricate networks of interactions at the molecular scale, whose sheer size obfuscates understanding. In light of limited experimental data, many parameters of such dynamics are unknown, and thus models built on the detailed, mechanistic viewpoint overfit and are not predictive. At the other extreme, simple ad hoc models of complex processes often miss defining features of the underlying systems. Here we propose an approach that instead constructs phenomenological, coarse-grained models of network dynamics that automatically adapt their complexity to the amount of available data. Such adaptive models lead to accurate predictions even when microscopic details of the studied systems are unknown due to insufficient data. The approach is computationally tractable, even for a relatively large number of dynamical variables, allowing its software realization, named Sir Isaac, to make successful predictions even when important dynamic variables are unobserved. For example, it matches the known phase space structure for simulated planetary motion data, avoids overfitting in a complex biological signaling system, and produces accurate predictions for a yeast glycolysis model with only tens of data points and over half of the interacting species unobserved.


Discrete Restricted Boltzmann Machines

arXiv.org Machine Learning

We describe discrete restricted Boltzmann machines: probabilistic graphical models with bipartite interactions between visible and hidden discrete variables. Examples are binary restricted Boltzmann machines and discrete naive Bayes models. We detail the inference functions and distributed representations arising in these models in terms of configurations of projected products of simplices and normal fans of products of simplices. We bound the number of hidden variables, depending on the cardinalities of their state spaces, for which these models can approximate any probability distribution on their visible states to any given accuracy. In addition, we use algebraic methods and coding theory to compute their dimension.


GP-Localize: Persistent Mobile Robot Localization using Online Sparse Gaussian Process Observation Model

arXiv.org Machine Learning

Central to robot exploration and mapping is the task of persistent localization in environmental fields characterized by spatially correlated measurements. This paper presents a Gaussian process localization (GP-Localize) algorithm that, in contrast to existing works, can exploit the spatially correlated field measurements taken during a robot's exploration (instead of relying on prior training data) for efficiently and scalably learning the GP observation model online through our proposed novel online sparse GP. As a result, GP-Localize is capable of achieving constant time and memory (i.e., independent of the size of the data) per filtering step, which demonstrates the practical feasibility of using GPs for persistent robot localization and autonomy. Empirical evaluation via simulated experiments with real-world datasets and a real robot experiment shows that GP-Localize outperforms existing GP localization algorithms.


An Adversarial Interpretation of Information-Theoretic Bounded Rationality

arXiv.org Artificial Intelligence

Recently, there has been a growing interest in modeling planning with information constraints. Accordingly, an agent maximizes a regularized expected utility known as the free energy, where the regularizer is given by the information divergence from a prior to a posterior policy. While this approach can be justified in various ways, including from statistical mechanics and information theory, it is still unclear how it relates to decision-making against adversarial environments. This connection has previously been suggested in work relating the free energy to risk-sensitive control and to extensive form games. Here, we show that a single-agent free energy optimization is equivalent to a game between the agent and an imaginary adversary. The adversary can, by paying an exponential penalty, generate costs that diminish the decision maker's payoffs. It turns out that the optimal strategy of the adversary consists in choosing costs so as to render the decision maker indifferent among its choices, which is a definining property of a Nash equilibrium, thus tightening the connection between free energy optimization and game theory.


Algorithms and Applications for the Same-Decision Probability

Journal of Artificial Intelligence Research

When making decisions under uncertainty, the optimal choices are often difficult to discern, especially if not enough information has been gathered. Two key questions in this regard relate to whether one should stop the information gathering process and commit to a decision (stopping criterion), and if not, what information to gather next (selection criterion). In this paper, we show that the recently introduced notion, Same-Decision Probability (SDP), can be useful as both a stopping and a selection criterion, as it can provide additional insight and allow for robust decision making in a variety of scenarios. This query has been shown to be highly intractable, being PP^PP-complete, and is exemplary of a class of queries which correspond to the computation of certain expectations. We propose the first exact algorithm for computing the SDP, and demonstrate its effectiveness on several real and synthetic networks. Finally, we present new complexity results, such as the complexity of computing the SDP on models with a Naive Bayes structure. Additionally, we prove that computing the non-myopic value of information is complete for the same complexity class as computing the SDP.


Stable Graphical Models

arXiv.org Machine Learning

Stable random variables are motivated by the central limit theorem for densities with (potentially) unbounded variance and can be thought of as natural generalizations of the Gaussian distribution to skewed and heavy-tailed phenomenon. In this paper, we introduce stable graphical (SG) models, a class of multivariate stable densities that can also be represented as Bayesian networks whose edges encode linear dependencies between random variables. One major hurdle to the extensive use of stable distributions is the lack of a closed-form analytical expression for their densities. This makes penalized maximum-likelihood based learning computationally demanding. We establish theoretically that the Bayesian information criterion (BIC) can asymptotically be reduced to the computationally more tractable minimum dispersion criterion (MDC) and develop StabLe, a structure learning algorithm based on MDC. We use simulated datasets for five benchmark network topologies to empirically demonstrate how StabLe improves upon ordinary least squares (OLS) regression. We also apply StabLe to microarray gene expression data for lymphoblastoid cells from 727 individuals belonging to eight global population groups. We establish that StabLe improves test set performance relative to OLS via ten-fold cross-validation. Finally, we develop SGEX, a method for quantifying differential expression of genes between different population groups.


Partially Observed, Multi-objective Markov Games

arXiv.org Artificial Intelligence

The intent of this research is to generate a set of non-dominated policies from which one of two agents (the leader) can select a most preferred policy to control a dynamic system that is also affected by the control decisions of the other agent (the follower). The problem is described by an infinite horizon, partially observed Markov game (POMG). At each decision epoch, each agent knows: its past and present states, its past actions, and noise corrupted observations of the other agent's past and present states. The actions of each agent are determined at each decision epoch based on these data. The leader considers multiple objectives in selecting its policy. The follower considers a single objective in selecting its policy with complete knowledge of and in response to the policy selected by the leader. This leader-follower assumption allows the POMG to be transformed into a specially structured, partially observed Markov decision process (POMDP). This POMDP is used to determine the follower's best response policy. A multi-objective genetic algorithm (MOGA) is used to create the next generation of leader policies based on the fitness measures of each leader policy in the current generation. Computing a fitness measure for a leader policy requires a value determination calculation, given the leader policy and the follower's best response policy. The policies from which the leader can select a most preferred policy are the non-dominated policies of the final generation of leader policies created by the MOGA. An example is presented that illustrates how these results can be used to support a manager of a liquid egg production process (the leader) in selecting a sequence of actions to best control this process over time, given that there is an attacker (the follower) who seeks to contaminate the liquid egg production process with a chemical or biological toxin.


Learning optimization models in the presence of unknown relations

arXiv.org Artificial Intelligence

In a sequential auction with multiple bidding agents, it is highly challenging to determine the ordering of the items to sell in order to maximize the revenue due to the fact that the autonomy and private information of the agents heavily influence the outcome of the auction. The main contribution of this paper is two-fold. First, we demonstrate how to apply machine learning techniques to solve the optimal ordering problem in sequential auctions. We learn regression models from historical auctions, which are subsequently used to predict the expected value of orderings for new auctions. Given the learned models, we propose two types of optimization methods: a black-box best-first search approach, and a novel white-box approach that maps learned models to integer linear programs (ILP) which can then be solved by any ILP-solver. Although the studied auction design problem is hard, our proposed optimization methods obtain good orderings with high revenues. Our second main contribution is the insight that the internal structure of regression models can be efficiently evaluated inside an ILP solver for optimization purposes. To this end, we provide efficient encodings of regression trees and linear regression models as ILP constraints. This new way of using learned models for optimization is promising. As the experimental results show, it significantly outperforms the black-box best-first search in nearly all settings.


Active Learning for Undirected Graphical Model Selection

arXiv.org Machine Learning

This paper studies graphical model selection, i.e., the problem of estimating a graph of statistical relationships among a collection of random variables. Conventional graphical model selection algorithms are passive, i.e., they require all the measurements to have been collected before processing begins. We propose an active learning algorithm that uses junction tree representations to adapt future measurements based on the information gathered from prior measurements. We prove that, under certain conditions, our active learning algorithm requires fewer scalar measurements than any passive algorithm to reliably estimate a graph. A range of numerical results validate our theory and demonstrates the benefits of active learning.


Open problem: Tightness of maximum likelihood semidefinite relaxations

arXiv.org Machine Learning

We have observed an interesting, yet unexplained, phenomenon: Semidefinite programming (SDP) based relaxations of maximum likelihood estimators (MLE) tend to be tight in recovery problems with noisy data, even when MLE cannot exactly recover the ground truth. Several results establish tightness of SDP based relaxations in the regime where exact recovery from MLE is possible. However, to the best of our knowledge, their tightness is not understood beyond this regime. As an illustrative example, we focus on the generalized Procrustes problem.