Learning Graphical Models
Hierarchical-Graph-Structured Edge Partition Models for Learning Evolving Community Structure
We propose a novel dynamic network model to capture evolving latent communities within temporal networks. To achieve this, we decompose each observed dynamic edge between vertices using a Poisson-gamma edge partition model, assigning each vertex to one or more latent communities through \emph{nonnegative} vertex-community memberships. Specifically, hierarchical transition kernels are employed to model the interactions between these latent communities in the observed temporal network. A hierarchical graph prior is placed on the transition structure of the latent communities, allowing us to model how they evolve and interact over time. Consequently, our dynamic network enables the inferred community structure to merge, split, and interact with one another, providing a comprehensive understanding of complex network dynamics. Experiments on various real-world network datasets demonstrate that the proposed model not only effectively uncovers interpretable latent structures but also surpasses other state-of-the art dynamic network models in the tasks of link prediction and community detection.
Just Leaf It: Accelerating Diffusion Classifiers with Hierarchical Class Pruning
Shanbhag, Arundhati S., Moser, Brian B., Nauen, Tobias C., Frolov, Stanislav, Raue, Federico, Dengel, Andreas
Diffusion models, known for their generative capabilities, have recently shown unexpected potential in image classification tasks by using Bayes' theorem. However, most diffusion classifiers require evaluating all class labels for a single classification, leading to significant computational costs that can hinder their application in large-scale scenarios. To address this, we present a Hierarchical Diffusion Classifier (HDC) that exploits the inherent hierarchical label structure of a dataset. By progressively pruning irrelevant high-level categories and refining predictions only within relevant subcategories, i.e., leaf nodes, HDC reduces the total number of class evaluations. As a result, HDC can accelerate inference by up to 60% while maintaining and, in some cases, improving classification accuracy. Our work enables a new control mechanism of the trade-off between speed and precision, making diffusion-based classification more viable for real-world applications, particularly in large-scale image classification tasks.
Regret-Free Reinforcement Learning for LTL Specifications
Majumdar, Rupak, Salamati, Mahmoud, Soudjani, Sadegh
Reinforcement learning (RL) is a promising method to learn optimal control policies for systems with unknown dynamics. In particular, synthesizing controllers for safety-critical systems based on high-level specifications, such as those expressed in temporal languages like linear temporal logic (LTL), presents a significant challenge in control systems research. Current RL-based methods designed for LTL tasks typically offer only asymptotic guarantees, which provide no insight into the transient performance during the learning phase. While running an RL algorithm, it is crucial to assess how close we are to achieving optimal behavior if we stop learning. In this paper, we present the first regret-free online algorithm for learning a controller that addresses the general class of LTL specifications over Markov decision processes (MDPs) with a finite set of states and actions. We begin by proposing a regret-free learning algorithm to solve infinite-horizon reach-avoid problems. For general LTL specifications, we show that the synthesis problem can be reduced to a reach-avoid problem when the graph structure is known. Additionally, we provide an algorithm for learning the graph structure, assuming knowledge of a minimum transition probability, which operates independently of the main regret-free algorithm.
Integrating Active Sensing and Rearrangement Planning for Efficient Object Retrieval from Unknown, Confined, Cluttered Environments
Kim, Junyong, Ren, Hanwen, Qureshi, Ahmed H.
Retrieving target objects from unknown, confined spaces remains a challenging task that requires integrated, task-driven active sensing and rearrangement planning. Previous approaches have independently addressed active sensing and rearrangement planning, limiting their practicality in real-world scenarios. This paper presents a new, integrated heuristic-based active sensing and Monte-Carlo Tree Search (MCTS)-based retrieval planning approach. These components provide feedback to one another to actively sense critical, unobserved areas suitable for the retrieval planner to plan a sequence for relocating path-blocking obstacles and a collision-free trajectory for retrieving the target object. We demonstrate the effectiveness of our approach using a robot arm equipped with an in-hand camera in both simulated and real-world confined, cluttered scenarios. Our framework is compared against various state-of-the-art methods. The results indicate that our proposed approach outperforms baseline methods by a significant margin in terms of the success rate, the object rearrangement planning time consumption and the number of planning trials before successfully retrieving the target. Videos can be found at https://youtu.be/tea7I-3RtV0.
On the physics of nested Markov models: a generalized probabilistic theory perspective
Determining potential probability distributions with a given causal graph is vital for causality studies. To bypass the difficulty in characterizing latent variables in a Bayesian network, the nested Markov model provides an elegant algebraic approach by listing exactly all the equality constraints on the observed variables. However, this algebraically motivated causal model comprises distributions outside Bayesian networks, and its physical interpretation remains vague. In this work, we inspect the nested Markov model through the lens of generalized probabilistic theory, an axiomatic framework to describe general physical theories. We prove that all the equality constraints defining the nested Markov model hold valid theory-independently. Yet, we show this model generally contains distributions not implementable even within such relaxed physical theories subjected to merely the relativity principles and mild probabilistic rules. To interpret the origin of such a gap, we establish a new causal model that defines valid distributions as projected from a high-dimensional Bell-type causal structure. The new model unveils inequality constraints induced by relativity principles, or equivalently high-dimensional conditional independences, which are absent in the nested Markov model. Nevertheless, we also notice that the restrictions on states and measurements introduced by the generalized probabilistic theory framework can pose additional inequality constraints beyond the new causal model. As a by-product, we discover a new causal structure exhibiting strict gaps between the distribution sets of a Bayesian network, generalized probabilistic theories, and the nested Markov model. We anticipate our results will enlighten further explorations on the unification of algebraic and physical perspectives of causality.
Fine-Grained Uncertainty Quantification via Collisions
Friedbaum, Jesse, Adiga, Sudarshan, Tandon, Ravi
We propose a new approach for fine-grained uncertainty quantification (UQ) using a collision matrix. For a classification problem involving $K$ classes, the $K\times K$ collision matrix $S$ measures the inherent (aleatoric) difficulty in distinguishing between each pair of classes. In contrast to existing UQ methods, the collision matrix gives a much more detailed picture of the difficulty of classification. We discuss several possible downstream applications of the collision matrix, establish its fundamental mathematical properties, as well as show its relationship with existing UQ methods, including the Bayes error rate. We also address the new problem of estimating the collision matrix using one-hot labeled data. We propose a series of innovative techniques to estimate $S$. First, we learn a contrastive binary classifier which takes two inputs and determines if they belong to the same class. We then show that this contrastive classifier (which is PAC learnable) can be used to reliably estimate the Gramian matrix of $S$, defined as $G=S^TS$. Finally, we show that under very mild assumptions, $G$ can be used to uniquely recover $S$, a new result on stochastic matrices which could be of independent interest. Experimental results are also presented to validate our methods on several datasets.
BALI: Learning Neural Networks via Bayesian Layerwise Inference
Kurle, Richard, Klushyn, Alexej, Herbrich, Ralf
We introduce a new method for learning Bayesian neural networks, treating them as a stack of multivariate Bayesian linear regression models. The main idea is to infer the layerwise posterior exactly if we know the target outputs of each layer. We define these pseudo-targets as the layer outputs from the forward pass, updated by the backpropagated gradients of the objective function. The resulting layerwise posterior is a matrix-normal distribution with a Kronecker-factorized covariance matrix, which can be efficiently inverted. Our method extends to the stochastic mini-batch setting using an exponential moving average over natural-parameter terms, thus gradually forgetting older data. The method converges in few iterations and performs as well as or better than leading Bayesian neural network methods on various regression, classification, and out-of-distribution detection benchmarks.
The Statistical Accuracy of Neural Posterior and Likelihood Estimation
Frazier, David T., Kelly, Ryan, Drovandi, Christopher, Warne, David J.
These methods can approximate the likelihood through neural likelihood estimation (NLE) (Papamakarios et al., 2019) or directly target the posterior distribution with neural posterior estimation (NPE) (Greenberg et al., 2019; Lueckmann et al., 2017; Papamakarios and Murray, 2016), with NLE requiring subsequent Markov Chain Monte Carlo (MCMC) steps to produce posterior samples. The hallmark of these neural methods is their ability to accurately approximate complex posterior distributions using only forward simulations from the assumed model. While sequential methods iteratively refine the posterior estimate through multiple rounds of simulation, one-shot NPE and NLE methods perform inference in a single round, enabling amortized inference where a trained model can be reused for multiple datasets without retraining (see, e.g., Radev et al., 2020; Gloeckler et al., 2024). In particular, like the statistical methods of approximate Bayesian computation (ABC), see, e.g., Sisson et al. (2018) for a handbook treatment, and Martin et al. (2023) for a recent summary, and Bayesian synthetic likelihood (BSL), see, e.g., Wood (2010), Price et al. (2018) and Frazier et al. (2023), NPE and NLE first reduce the data down to a vector of statistics and then build an approximation to the resulting partial posterior by substituting likelihood evaluation with forward simulation from the assumed model. In contrast to the statistical methods for likelihood-free inference like ABC and BSL, NPE (respectively, NLE) approximates the posterior (resp., the likelihood) directly by fitting flexible conditional density estimators, usually neural-or flow-based approaches, using training data that is simulated from the assumed model space. The approximation that results from this training step is then directly used as a posterior in the context of NPE or as a likelihood in the case of NLE, with MCMC for this trained likelihood then used to produce draws from an approximate posterior.
Pairwise Markov Chains for Volatility Forecasting
The Pairwise Markov Chain (PMC) is a probabilistic graphical model extending the well-known Hidden Markov Model. This model, although highly effective for many tasks, has been scarcely utilized for continuous value prediction. This is mainly due to the issue of modeling observations inherent in generative probabilistic models. In this paper, we introduce a new algorithm for prediction with the PMC. On the one hand, this algorithm allows circumventing the feature problem, thus fully exploiting the capabilities of the PMC. On the other hand, it enables the PMC to extend any predictive model by introducing hidden states, updated at each time step, and allowing the introduction of non-stationarity for any model. We apply the PMC with its new algorithm for volatility forecasting, which we compare to the highly popular GARCH(1,1) and feedforward neural models across numerous pairs. This is particularly relevant given the regime changes that we can observe in volatility. For each scenario, our algorithm enhances the performance of the extended model, demonstrating the value of our approach.
Efficient Sample-optimal Learning of Gaussian Tree Models via Sample-optimal Testing of Gaussian Mutual Information
Gayen, Sutanu, Kale, Sanket, Sen, Sayantan
Learning high-dimensional distributions is a significant challenge in machine learning and statistics. Classical research has mostly concentrated on asymptotic analysis of such data under suitable assumptions. While existing works [Bhattacharyya et al.: SICOMP 2023, Daskalakis et al.: STOC 2021, Choo et al.: ALT 2024] focus on discrete distributions, the current work addresses the tree structure learning problem for Gaussian distributions, providing efficient algorithms with solid theoretical guarantees. This is crucial as real-world distributions are often continuous and differ from the discrete scenarios studied in prior works. In this work, we design a conditional mutual information tester for Gaussian random variables that can test whether two Gaussian random variables are independent, or their conditional mutual information is at least $\varepsilon$, for some parameter $\varepsilon \in (0,1)$ using $\mathcal{O}(\varepsilon^{-1})$ samples which we show to be near-optimal. In contrast, an additive estimation would require $\Omega(\varepsilon^{-2})$ samples. Our upper bound technique uses linear regression on a pair of suitably transformed random variables. Importantly, we show that the chain rule of conditional mutual information continues to hold for the estimated (conditional) mutual information. As an application of such a mutual information tester, we give an efficient $\varepsilon$-approximate structure-learning algorithm for an $n$-variate Gaussian tree model that takes $\widetilde{\Theta}(n\varepsilon^{-1})$ samples which we again show to be near-optimal. In contrast, when the underlying Gaussian model is not known to be tree-structured, we show that $\widetilde{{{\Theta}}}(n^2\varepsilon^{-2})$ samples are necessary and sufficient to output an $\varepsilon$-approximate tree structure. We perform extensive experiments that corroborate our theoretical convergence bounds.