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Mode Estimation for High Dimensional Discrete Tree Graphical Models

Chao Chen, Han Liu, Dimitris Metaxas, Tianqi Zhao

Neural Information Processing Systems

This paper studies the following problem: given samples from a high dimensional discrete distribution, we want to estimate the leading (δ, ρ)-modes of the underlying distributions. A point is defined to be a (δ, ρ)-mode if it is a local optimum of the density within a δ-neighborhood under metric ρ. As we increase the "scale" parameter δ, the neighborhood size increases and the total number of modes monotonically decreases. The sequence of the (δ, ρ)-modes reveal intrinsic topographical information of the underlying distributions. Though the mode finding problem is generally intractable in high dimensions, this paper unveils that, if the distribution can be approximated well by a tree graphical model, mode characterization is significantly easier. An efficient algorithm with provable theoretical guarantees is proposed and is applied to applications like data analysis and multiple predictions.


Hamming Ball Auxiliary Sampling for Factorial Hidden Markov Models

Michalis Titsias RC AUEB, Christopher Yau

Neural Information Processing Systems

We introduce a novel sampling algorithm for Markov chain Monte Carlo-based Bayesian inference for factorial hidden Markov models. This algorithm is based on an auxiliary variable construction that restricts the model space allowing iterative exploration in polynomial time. The sampling approach overcomes limitations with common conditional Gibbs samplers that use asymmetric updates and become easily trapped in local modes. Instead, our method uses symmetric moves that allows joint updating of the latent sequences and improves mixing. We illustrate the application of the approach with simulated and a real data example.


Dimension-free Relaxation Times of Informed MCMC Samplers on Discrete Spaces

Chang, Hyunwoong, Zhou, Quan

arXiv.org Machine Learning

Convergence analysis of Markov chain Monte Carlo methods in high-dimensional statistical applications is increasingly recognized. In this paper, we develop general mixing time bounds for Metropolis-Hastings algorithms on discrete spaces by building upon and refining some recent theoretical advancements in Bayesian model selection problems. We establish sufficient conditions for a class of informed Metropolis-Hastings algorithms to attain relaxation times that are independent of the problem dimension. These conditions are grounded in high-dimensional statistical theory and allow for possibly multimodal posterior distributions. We obtain our results through two independent techniques: the multicommodity flow method and single-element drift condition analysis; we find that the latter yields a tighter mixing time bound. Our results and proof techniques are readily applicable to a broad spectrum of statistical problems with discrete parameter spaces.


Mode Estimation for High Dimensional Discrete Tree Graphical Models Chao Chen

Neural Information Processing Systems

This paper studies the following problem: given samples from a high dimensional discrete distribution, we want to estimate the leading (δ, ρ)-modes of the underlying distributions. A point is defined to be a (δ, ρ)-mode if it is a local optimum of the density within a δ-neighborhood under metric ρ. As we increase the "scale" parameter δ, the neighborhood size increases and the total number of modes monotonically decreases. The sequence of the (δ, ρ)-modes reveal intrinsic topographical information of the underlying distributions. Though the mode finding problem is generally intractable in high dimensions, this paper unveils that, if the distribution can be approximated well by a tree graphical model, mode characterization is significantly easier. An efficient algorithm with provable theoretical guarantees is proposed and is applied to applications like data analysis and multiple predictions.


Hamming Ball Auxiliary Sampling for Factorial Hidden Markov Models

Neural Information Processing Systems

We introduce a novel sampling algorithm for Markov chain Monte Carlo-based Bayesian inference for factorial hidden Markov models. This algorithm is based on an auxiliary variable construction that restricts the model space allowing iterative exploration in polynomial time. The sampling approach overcomes limitations with common conditional Gibbs samplers that use asymmetric updates and become easily trapped in local modes. Instead, our method uses symmetric moves that allows joint updating of the latent sequences and improves mixing. We illustrate the application of the approach with simulated and a real data example.


Gradient-based Discrete Sampling with Automatic Cyclical Scheduling

Pynadath, Patrick, Bhattacharya, Riddhiman, Hariharan, Arun, Zhang, Ruqi

arXiv.org Machine Learning

Discrete distributions, particularly in high-dimensional deep models, are often highly multimodal due to inherent discontinuities. While gradient-based discrete sampling has proven effective, it is susceptible to becoming trapped in local modes due to the gradient information. To tackle this challenge, we propose an automatic cyclical scheduling, designed for efficient and accurate sampling in multimodal discrete distributions. Our method contains three key components: (1) a cyclical step size schedule where large steps discover new modes and small steps exploit each mode; (2) a cyclical balancing schedule, ensuring ``balanced" proposals for given step sizes and high efficiency of the Markov chain; and (3) an automatic tuning scheme for adjusting the hyperparameters in the cyclical schedules, allowing adaptability across diverse datasets with minimal tuning. We prove the non-asymptotic convergence and inference guarantee for our method in general discrete distributions. Extensive experiments demonstrate the superiority of our method in sampling complex multimodal discrete distributions.


Importance is Important: A Guide to Informed Importance Tempering Methods

Li, Guanxun, Smith, Aaron, Zhou, Quan

arXiv.org Machine Learning

Informed importance tempering (IIT) is an easy-to-implement MCMC algorithm that can be seen as an extension of the familiar Metropolis-Hastings algorithm with the special feature that informed proposals are always accepted, and which was shown in Zhou and Smith (2022) to converge much more quickly in some common circumstances. This work develops a new, comprehensive guide to the use of IIT in many situations. First, we propose two IIT schemes that run faster than existing informed MCMC methods on discrete spaces by not requiring the posterior evaluation of all neighboring states. Second, we integrate IIT with other MCMC techniques, including simulated tempering, pseudo-marginal and multiple-try methods (on general state spaces), which have been conventionally implemented as Metropolis-Hastings schemes and can suffer from low acceptance rates. The use of IIT allows us to always accept proposals and brings about new opportunities for optimizing the sampler which are not possible under the Metropolis-Hastings framework. Numerical examples illustrating our findings are provided for each proposed algorithm, and a general theory on the complexity of IIT methods is developed.


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Mode and Ridge Estimation in Euclidean and Directional Product Spaces: A Mean Shift Approach

Zhang, Yikun, Chen, Yen-Chi

arXiv.org Machine Learning

The set of local modes and the ridge lines estimated from a dataset are important summary characteristics of the data-generating distribution. In this work, we consider estimating the local modes and ridges from point cloud data in a product space with two or more Euclidean/directional metric spaces. Specifically, we generalize the well-known (subspace constrained) mean shift algorithm to the product space setting and illuminate some pitfalls in such generalization. We derive the algorithmic convergence of the proposed method, provide practical guidelines on the implementation, and demonstrate its effectiveness on both simulated and real datasets.


Space Partitioning and Regression Mode Seeking via a Mean-Shift-Inspired Algorithm

Qiao, Wanli, Shehu, Amarda

arXiv.org Machine Learning

The mean shift (MS) algorithm is a nonparametric method used to cluster sample points and find the local modes of kernel density estimates, using an idea based on iterative gradient ascent. In this paper we develop a mean-shift-inspired algorithm to estimate the modes of regression functions and partition the sample points in the input space. We prove convergence of the sequences generated by the algorithm and derive the non-asymptotic rates of convergence of the estimated local modes for the underlying regression model. We also demonstrate the utility of the algorithm for data-enabled discovery through an application on biomolecular structure data. An extension to subspace constrained mean shift (SCMS) algorithm used to extract ridges of regression functions is briefly discussed.