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 Learning Graphical Models


Partially Observed Structural Causal Models

arXiv.org Machine Learning

Here we introduce Partially Observed Structural Causal Models (POSCMs) that formalize causal systems where latent contexts co-determine both the interaction structure and downstream mechanisms on observed variables. POSCMs provide an extension of structural causal models (SCMs), as a self-contained causal modeling framework for endogenous graphs, allowing for an intervention hierarchy spanning node- and edge-level context and endogenous variable interventions. To enable surgical edge interventions, we adopt a Kolmogorov-Arnold-Sprecher edge-functional decomposition, an existence theorem for representing each node mechanism as a sum of univariate functions of its parents, yielding an explicit parametrization of dyadic functional contributions. We provide an identifiability theory that clarifies which intervention families would suffice to disentangle structure formation from mechanisms. We empirically validate these predictions in a biophysically detailed virtual human retina simulator, constructing intervention protocols that (i) reproduce the non-identifiability predicted when context is latent and no context-level interventions are available, (ii) exhibit structure-mechanism confounding under latent edges when only node interventions are observed, and (iii) recover synaptic input-output relationships via targeted node interventions, consistent with our positive kernel identifiability result. Our work generalizes SCMs in a way that allows it to work in a world closer to the one we live in.


Adaptive Estimation and Optimal Control in Offline Contextual MDPs without Stationarity

arXiv.org Machine Learning

Contextual MDPs are powerful tools with wide applicability in areas from biostatistics to machine learning. However, specializing them to offline datasets has been challenging due to a lack of robust, theoretically backed methods. Our work tackles this problem by introducing a new approach towards adaptive estimation and cost optimization of contextual MDPs. This estimator, to the best of our knowledge, is the first of its kind, and is endowed with strong optimality guarantees. We achieve this by overcoming the key technical challenges evolving from the endogenous properties of contextual MDPs; such as non-stationarity, or model irregularity. Our guarantees are established under complete generality by utilizing the relatively recent and powerful statistical technique of $T$-estimation (Baraud, 2011). We first provide a procedure for selecting an estimator given a sample from a contextual MDP and use it to derive oracle risk bounds under two distinct, but nevertheless meaningful, loss functions. We then consider the problem of determining the optimal control with the aid of the aforementioned density estimate and provide finite sample guarantees for the cost function.


Adaptive graph-based algorithms for conditional anomaly detection and semi-supervised learning

arXiv.org Machine Learning

We develop graph-based methods for semi-supervised learning based on label propagation on a data similarity graph. When data is abundant or arrive in a stream, the problems of computation and data storage arise for any graph-based method. We propose a fast approximate online algorithm that solves for the harmonic solution on an approximate graph. We show, both empirically and theoretically, that good behavior can be achieved by collapsing nearby points into a set of local representative points that minimize distortion. Moreover, we regularize the harmonic solution to achieve better stability properties. We also present graph-based methods for detecting conditional anomalies and apply them to the identification of unusual clinical actions in hospitals. Our hypothesis is that patient-management actions that are unusual with respect to the past patients may be due to errors and that it is worthwhile to raise an alert if such a condition is encountered. Conditional anomaly detection extends standard unconditional anomaly framework but also faces new problems known as fringe and isolated points. We devise novel nonparametric graph-based methods to tackle these problems. Our methods rely on graph connectivity analysis and soft harmonic solution. Finally, we conduct an extensive human evaluation study of our conditional anomaly methods by 15 experts in critical care.


Amortized Variational Inference for Joint Posterior and Predictive Distributions in Bayesian Uncertainty Quantification

arXiv.org Machine Learning

Bayesian predictive inference propagates parameter uncertainty to quantities of interest through the posterior-predictive distribution. In practice, this is typically performed using a two-stage procedure: first approximating the posterior distribution of model parameters, and then propagating posterior samples through the predictive model via Monte Carlo simulation. This sequential workflow can be computationally demanding, particularly for high-fidelity models such as those governed by partial differential equations. We propose a variational Bayesian framework that directly targets the posterior-predictive distribution and jointly learns variational approximations of both the posterior and the corresponding predictive distribution. The formulation introduces a variational upper bound on the Kullback--Leibler divergence together with moment-based regularization terms. The variational distributions are trained in an amortized manner, shifting computational effort to an offline stage and enabling efficient online inference. Numerical experiments ranging from analytical benchmarks to a finite-element solid mechanics problem demonstrate that the proposed method achieves more accurate predictive distributions than conventional two-stage variational inference, while substantially reducing the cost of online predictive inference.


Optimal Posterior Sampling for Policy Identification in Tabular Markov Decision Processes

arXiv.org Machine Learning

We study the $(\varepsilon, δ)$-PAC policy identification problem in finite-horizon episodic Markov Decision Processes. Existing approaches provide finite-time guarantees for approximate settings ($\varepsilon>0$) but suffer from high computational cost, rendering them hard to implement, and also suffer from suboptimal dependence on $\log(1/δ)$. We propose a randomized and computationally efficient algorithm for best policy identification that combines posterior sampling with an online learning algorithm to guide exploration in the MDP. Our method achieves asymptotic optimality in sample complexity, also in terms of posterior contraction rate, and runs in $O(S^2AH)$ per episode, matching standard model-based approaches. Unlike prior algorithms such as MOCA and PEDEL, our guarantees remain meaningful in the asymptotic regime and avoid sub-optimal polynomial dependence on $\log(1/δ)$. Our results provide both theoretical insights and practical tools for efficient policy identification in tabular MDPs.


Conditional Diffusion Sampling

arXiv.org Machine Learning

Sampling from unnormalized multimodal distributions with limited density evaluations remains a fundamental challenge in machine learning and natural sciences. Successful approaches construct a bridge between a tractable reference and the target distribution. Parallel Tempering (PT) serves as the gold standard, while recent diffusion-based approaches offer a continuous alternative at the cost of neural training. In this work, we introduce Conditional Diffusion Sampling (CDS), a framework that combines these two paradigms. To this end, we derive Conditional Interpolants, a class of stochastic processes whose transport dynamics are governed by an exact, closed-form stochastic differential equation (SDE), requiring no neural approximation. Although these dynamics require sampling from a non-trivial initialization distribution, we show both theoretically and empirically that the cost of this initialization diminishes for sufficiently short diffusion times. CDS leverages this by a two-stage procedure: (1) PT is used to efficiently sample the initial distribution, and then (2) samples are transported via the transport SDE. This combination couples the robust global exploration of PT with efficient local transport. Experiments suggest that CDS has the potential to achieve a superior trade-off between sample quality and density evaluation cost compared to state-of-the-art samplers.


Design, Cups, and Blankets. A Free-Energy-Principle-Based Approach to Product Design

arXiv.org Machine Learning

Classical design theory treats the type of an object as a given: the designer decides in advance that this will be a cup, then optimizes its parameters. This paper argues that object type is not a presupposition but an inference, something that can be determined from physical data and functional requirements jointly. We call this problem requirement-steered interface type inference and show that it is inexpressible within existing design frameworks. This paper makes two contributions that are jointly necessary and individually incomplete. The first is the problem itself, which classical design cannot pose because it presupposes the very thing our problem seeks to determine. The second is C-DMBD, a constrained extension of the Dynamic Markov Blanket Detection algorithm, which makes requirement-steered inference computationally tractable. Drawing on the free-energy principle and active inference, established frameworks in theoretical neuroscience and Bayesian mechanics, we model a product's surface as a Markov blanket: the minimal boundary through which all causal exchange between object and environment must pass. Different blanket structures correspond to different object types; different parameterizations of the same structure correspond to different functional modes of the same type. This paper is a proof of concept and a theoretical proposal. It reframes design as inference rather than optimization, and as a relation between generative models rather than a specification of parameters.


MIRA: A Score for Conditional Distribution Accuracy and Model Comparison

arXiv.org Machine Learning

We introduce Mira, a sample-based score for assessing the accuracy of a candidate conditional distribution using only joint samples from the true data-generating process. Relying on the principle that distributions coincide if they assign equal probability mass to all regions, we derive an analytic expression for the Mira statistic, whose average defines the Mira score. This formulation further allows us to compute theoretical reference values and uncertainty estimates when the candidate distribution matches the true one. This framework enables model comparison by quantifying the alignment between the conditional distribution of a candidate model and the true data generating process. Consequently, Mira enables Bayesian model comparison through direct posterior validation, bypassing the challenging evidence computation. We demonstrate its effectiveness across several toy problems and Bayesian inference tasks.


Measuring Differences between Conditional Distributions using Kernel Embeddings

arXiv.org Machine Learning

Comparing conditional distributions is a fundamental challenge in statistics and machine learning, with applications across a wide range of domains. While proposed methods for measuring discrepancies using kernel embeddings of distributions in a reproducing kernel Hilbert space (RKHS) provide powerful non-parametric techniques, the existing literature remains fragmented and lacks a unified theoretical treatment. This paper addresses this gap by establishing a coherent framework for studying kernel-based methods to measure divergence between conditional distributions through what we refer to as conditional maximum mean discrepancy (CMMD). The CMMD consists of a family of metrics which we call levels, with three special cases each using a different type of RKHS embedding: CMMD$_0$ (conditional mean operators), CMMD$_1$ (conditional mean embeddings), and CMMD$_2$ (joint mean embeddings). We additionally introduce a general level $s$ CMMD, clarifying the required assumptions, and establishing mathematical connections between the levels through the lens of operator-based smoothing. In addition to reviewing previously proposed estimators, we introduce a novel doubly robust estimator for the CMMD that maintains consistency provided at least one of the underlying models is correctly specified. We provide numerical experiments demonstrating that the CMMD effectively captures complex conditional dependencies for statistical testing.


Can Causal Discovery Algorithms Help in Generating Legal Arguments?

arXiv.org Machine Learning

In 2011, Judea Pearl received the Turing Award, considered the Nobel Prize in Computing, for fundamental contributions to artificial intelligence through the development of a calculus for probabilistic and causal reasoning. It includes pioneering the development of causal discovery algorithms. These computer algorithms can analyze large multivariate datasets and automatically discover the causal relationships among the constituent variables. They have been widely used in many critical fields such as medicine and economics to support decisions. However, to our knowledge, they have not been leveraged in law. This paper attempts to alleviate this gap by investigating whether causal discovery algorithms can be leveraged for automated generation of legal arguments. To that end, a novel legal dataset is prepared by identifying 17 legal concepts, such as physical assault and property dispute. A curated collection of 150 homicide cases are annotated with these concepts, e.g., a case is annotated with physical assault only if a physical assault had been reported in that case. Subsequently, a selected set of widely-used causal discovery algorithms is applied to the annotated dataset to discover the causal relationships between the legal concepts. Additionally, the degrees of belief associated with the discovered relationships are quantified in mathematical probabilities. It is shown that some of the causal relationships help generate viable legal arguments, e.g., if one could establish that a physical assault has not taken place during a homicide, it should be a sufficient condition (with probability 1) to establish that the homicide has not been committed due to a property-related dispute. Thus, this paper shows that causal discovery algorithms can be helpful in generating legal arguments, opening up avenues for promising future endeavors.