Learning Graphical Models
$\textit{UniSaT}$: Unified-Objective Belief Model and Planner to Search for and Track Multiple Objects
Santos, Leonardo, Moon, Brady, Scherer, Sebastian, Van Nguyen, Hoa
The problem of path planning for autonomously searching and tracking multiple objects is important to reconnaissance, surveillance, and many other data-gathering applications. Due to the inherent competing objectives of searching for new objects while maintaining tracks for found objects, most current approaches rely on multi-objective planning methods, leaving it up to the user to tune parameters to balance between the two objectives, usually based on heuristics or trial and error. In this paper, we introduce $\textit{UniSaT}$ ($\textit{Unified Search and Track}$), a unified-objective formulation for the search and track problem based on Random Finite Sets (RFS). This is done by modeling both the unknown and known objects through a combined generalized labeled multi-Bernoulli (GLMB) filter. For the unseen objects, we can leverage both cardinality and spatial prior distributions, which means $\textit{UniSaT}$ does not rely on knowing the exact count of the expected number of objects in the space. The planner maximizes the mutual information of this unified belief model, creating balanced search and tracking behaviors. We demonstrate our work in a simulated environment and show both qualitative results as well as quantitative improvements over a multi-objective method.
Efficient Recurrent Off-Policy RL Requires a Context-Encoder-Specific Learning Rate
Luo, Fan-Ming, Tu, Zuolin, Huang, Zefang, Yu, Yang
Real-world decision-making tasks are usually partially observable Markov decision processes (POMDPs), where the state is not fully observable. Recent progress has demonstrated that recurrent reinforcement learning (RL), which consists of a context encoder based on recurrent neural networks (RNNs) for unobservable state prediction and a multilayer perceptron (MLP) policy for decision making, can mitigate partial observability and serve as a robust baseline for POMDP tasks. However, previous recurrent RL methods face training stability issues due to the gradient instability of RNNs. In this paper, we propose Recurrent Off-policy RL with Context-Encoder-Specific Learning Rate (RESeL) to tackle this issue. Specifically, RESeL uses a lower learning rate for context encoder than other MLP layers to ensure the stability of the former while maintaining the training efficiency of the latter. We integrate this technique into existing off-policy RL methods, resulting in the RESeL algorithm. We evaluated RESeL in 18 POMDP tasks, including classic, meta-RL, and credit assignment scenarios, as well as five MDP locomotion tasks. The experiments demonstrate significant improvements in training stability with RESeL. Comparative results show that RESeL achieves notable performance improvements over previous recurrent RL baselines in POMDP tasks, and is competitive with or even surpasses state-of-the-art methods in MDP tasks. Further ablation studies highlight the necessity of applying a distinct learning rate for the context encoder.
Fast, accurate training and sampling of Restricted Boltzmann Machines
Béreux, Nicolas, Decelle, Aurélien, Furtlehner, Cyril, Rosset, Lorenzo, Seoane, Beatriz
Thanks to their simple architecture, Restricted Boltzmann Machines (RBMs) are powerful tools for modeling complex systems and extracting interpretable insights from data. However, training RBMs, as other energy-based models, on highly structured data poses a major challenge, as effective training relies on mixing the Markov chain Monte Carlo simulations used to estimate the gradient. This process is often hindered by multiple second-order phase transitions and the associated critical slowdown. In this paper, we present an innovative method in which the principal directions of the dataset are integrated into a low-rank RBM through a convex optimization procedure. This approach enables efficient sampling of the equilibrium measure via a static Monte Carlo process. By starting the standard training process with a model that already accurately represents the main modes of the data, we bypass the initial phase transitions. Our results show that this strategy successfully trains RBMs to capture the full diversity of data in datasets where previous methods fail. Furthermore, we use the training trajectories to propose a new sampling method, {\em parallel trajectory tempering}, which allows us to sample the equilibrium measure of the trained model much faster than previous optimized MCMC approaches and a better estimation of the log-likelihood. We illustrate the success of the training method on several highly structured datasets.
On the Tractability of SHAP Explanations under Markovian Distributions
Marzouk, Reda, de La Higuera, Colin
Thanks to its solid theoretical foundation, the SHAP framework is arguably one the most widely utilized frameworks for local explainability of ML models. Despite its popularity, its exact computation is known to be very challenging, proven to be NP-Hard in various configurations. Recent works have unveiled positive complexity results regarding the computation of the SHAP score for specific model families, encompassing decision trees, random forests, and some classes of boolean circuits. Yet, all these positive results hinge on the assumption of feature independence, often simplistic in real-world scenarios. In this article, we investigate the computational complexity of the SHAP score by relaxing this assumption and introducing a Markovian perspective. We show that, under the Markovian assumption, computing the SHAP score for the class of Weighted automata, Disjoint DNFs and Decision Trees can be performed in polynomial time, offering a first positive complexity result for the problem of SHAP score computation that transcends the limitations of the feature independence assumption.
Informed Meta-Learning
Kobalczyk, Katarzyna, van der Schaar, Mihaela
In noisy and low-data regimes prevalent in real-world applications, a key challenge of machine learning lies in effectively incorporating inductive biases that promote data efficiency and robustness. Meta-learning and informed ML stand out as two approaches for incorporating prior knowledge into ML pipelines. While the former relies on a purely data-driven source of priors, the latter is guided by prior domain knowledge. In this paper, we formalise a hybrid paradigm, informed meta-learning, facilitating the incorporation of priors from unstructured knowledge representations, such as natural language; thus, unlocking complementarity in cross-task knowledge sharing of humans and machines. We establish the foundational components of informed meta-learning and present a concrete instantiation of this framework--the Informed Neural Process. Through a series of experiments, we demonstrate the potential benefits of informed meta-learning in improving data efficiency, robustness to observational noise and task distribution shifts.
Coordinated Multi-Neighborhood Learning on a Directed Acyclic Graph
Learning the structure of causal directed acyclic graphs (DAGs) is useful in many areas of machine learning and artificial intelligence, with wide applications. However, in the high-dimensional setting, it is challenging to obtain good empirical and theoretical results without strong and often restrictive assumptions. Additionally, it is questionable whether all of the variables purported to be included in the network are observable. It is of interest then to restrict consideration to a subset of the variables for relevant and reliable inferences. In fact, researchers in various disciplines can usually select a set of target nodes in the network for causal discovery. This paper develops a new constraint-based method for estimating the local structure around multiple user-specified target nodes, enabling coordination in structure learning between neighborhoods. Our method facilitates causal discovery without learning the entire DAG structure. We establish consistency results for our algorithm with respect to the local neighborhood structure of the target nodes in the true graph. Experimental results on synthetic and real-world data show that our algorithm is more accurate in learning the neighborhood structures with much less computational cost than standard methods that estimate the entire DAG. An R package implementing our methods may be accessed at https://github.com/stephenvsmith/CML.
Anomalous Change Point Detection Using Probabilistic Predictive Coding
Hup, Roelof G., Merkofer, Julian P., Bhogal, Alex A., van Sloun, Ruud J. G., Haakma, Reinder, Vullings, Rik
Change point detection (CPD) and anomaly detection (AD) are essential techniques in various fields to identify abrupt changes or abnormal data instances. However, existing methods are often constrained to univariate data, face scalability challenges with large datasets due to computational demands, and experience reduced performance with high-dimensional or intricate data, as well as hidden anomalies. Furthermore, they often lack interpretability and adaptability to domain-specific knowledge, which limits their versatility across different fields. In this work, we propose a deep learning-based CPD/AD method called Probabilistic Predictive Coding (PPC) that jointly learns to encode sequential data to low dimensional latent space representations and to predict the subsequent data representations as well as the corresponding prediction uncertainties. The model parameters are optimized with maximum likelihood estimation by comparing these predictions with the true encodings. At the time of application, the true and predicted encodings are used to determine the probability of conformity, an interpretable and meaningful anomaly score. Furthermore, our approach has linear time complexity, scalability issues are prevented, and the method can easily be adjusted to a wide range of data types and intricate applications. We demonstrate the effectiveness and adaptability of our proposed method across synthetic time series experiments, image data, and real-world magnetic resonance spectroscopic imaging data.
On the Convexity and Reliability of the Bethe Free Energy Approximation
Leisenberger, Harald, Knoll, Christian, Pernkopf, Franz
The Bethe free energy approximation provides an effective way for relaxing NP-hard problems of probabilistic inference. However, its accuracy depends on the model parameters and particularly degrades if a phase transition in the model occurs. In this work, we analyze when the Bethe approximation is reliable and how this can be verified. We argue and show by experiment that it is mostly accurate if it is convex on a submanifold of its domain, the 'Bethe box'. For verifying its convexity, we derive two sufficient conditions that are based on the definiteness properties of the Bethe Hessian matrix: the first uses the concept of diagonal dominance, and the second decomposes the Bethe Hessian matrix into a sum of sparse matrices and characterizes the definiteness properties of the individual matrices in that sum. These theoretical results provide a simple way to estimate the critical phase transition temperature of a model. As a practical contribution we propose $\texttt{BETHE-MIN}$, a projected quasi-Newton method to efficiently find a minimum of the Bethe free energy.
Encoder Embedding for General Graph and Node Classification
Graph encoder embedding, a recent technique for graph data, offers speed and scalability in producing vertex-level representations from binary graphs. In this paper, we extend the applicability of this method to a general graph model, which includes weighted graphs, distance matrices, and kernel matrices. We prove that the encoder embedding satisfies the law of large numbers and the central limit theorem on a per-observation basis. Under certain condition, it achieves asymptotic normality on a per-class basis, enabling optimal classification through discriminant analysis. These theoretical findings are validated through a series of experiments involving weighted graphs, as well as text and image data transformed into general graph representations using appropriate distance metrics.
Generalized Laplace Approximation
Chen, Yinsong, Yu, Samson S., Li, Zhong, Lim, Chee Peng
In recent years, the inconsistency in Bayesian deep learning has garnered increasing attention. Tempered or generalized posterior distributions often offer a direct and effective solution to this issue. However, understanding the underlying causes and evaluating the effectiveness of generalized posteriors remain active areas of research. In this study, we introduce a unified theoretical framework to attribute Bayesian inconsistency to model misspecification and inadequate priors. We interpret the generalization of the posterior with a temperature factor as a correction for misspecified models through adjustments to the joint probability model, and the recalibration of priors by redistributing probability mass on models within the hypothesis space using data samples. Additionally, we highlight a distinctive feature of Laplace approximation, which ensures that the generalized normalizing constant can be treated as invariant, unlike the typical scenario in general Bayesian learning where this constant varies with model parameters post-generalization. Building on this insight, we propose the generalized Laplace approximation, which involves a simple adjustment to the computation of the Hessian matrix of the regularized loss function. This method offers a flexible and scalable framework for obtaining high-quality posterior distributions. We assess the performance and properties of the generalized Laplace approximation on state-of-the-art neural networks and real-world datasets.