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 Uncertainty


Decentralized Online Ensembles of Gaussian Processes for Multi-Agent Systems

arXiv.org Machine Learning

Flexible and scalable decentralized learning solutions are fundamentally important in the application of multi-agent systems. While several recent approaches introduce (ensembles of) kernel machines in the distributed setting, Bayesian solutions are much more limited. We introduce a fully decentralized, asymptotically exact solution to computing the random feature approximation of Gaussian processes. We further address the choice of hyperparameters by introducing an ensembling scheme for Bayesian multiple kernel learning based on online Bayesian model averaging. The resulting algorithm is tested against Bayesian and frequentist methods on simulated and real-world datasets.


Time Series Analysis of Rankings: A GARCH-Type Approach

arXiv.org Machine Learning

Ranking data are frequently obtained nowadays but there are still scarce methods for treating these data when temporally observed. The present paper contributes to this topic by proposing and developing novel models for handling time series of ranking data. We introduce a class of time-varying ranking models inspired by the Generalized AutoRegressive Conditional Heteroskedasticity (GARCH) models. More specifically, the temporal dynamics are defined by the conditional distribution of the current ranking given the past rankings, which are assumed to follow a Mallows distribution, which implicitly depends on a distance. Then, autoregressive and feedback components are incorporated into the model through the conditional expectation of the associated distances. Theoretical properties of our ranking GARCH models such as stationarity and ergodicity are established. The estimation of parameters is performed via maximum likelihood estimation when data is fully observed. We develop a Monte Carlo Expectation-Maximisation algorithm to deal with cases involving missing data. Monte Carlo simulation studies are presented to study the performance of the proposed estimators under both non-missing and missing data scenarios. A real data application about the weekly ranking of professional tennis players from 2015 to 2019 is presented under our proposed ranking GARCH models.


Cyclic quantum causal modelling with a graph separation theorem

arXiv.org Machine Learning

Causal modelling frameworks link observable correlations to causal explanations, which is a crucial aspect of science. These models represent causal relationships through directed graphs, with vertices and edges denoting systems and transformations within a theory. Most studies focus on acyclic causal graphs, where well-defined probability rules and powerful graph-theoretic properties like the d-separation theorem apply. However, understanding complex feedback processes and exotic fundamental scenarios with causal loops requires cyclic causal models, where such results do not generally hold. While progress has been made in classical cyclic causal models, challenges remain in uniquely fixing probability distributions and identifying graph-separation properties applicable in general cyclic models. In cyclic quantum scenarios, existing frameworks have focussed on a subset of possible cyclic causal scenarios, with graph-separation properties yet unexplored. This work proposes a framework applicable to all consistent quantum and classical cyclic causal models on finite-dimensional systems. We address these challenges by introducing a robust probability rule and a novel graph-separation property, p-separation, which we prove to be sound and complete for all such models. Our approach maps cyclic causal models to acyclic ones with post-selection, leveraging the post-selected quantum teleportation protocol. We characterize these protocols and their success probabilities along the way. We also establish connections between this formalism and other classical and quantum frameworks to inform a more unified perspective on causality. This provides a foundation for more general cyclic causal discovery algorithms and to systematically extend open problems and techniques from acyclic informational networks (e.g., certification of non-classicality) to cyclic causal structures and networks.


Efficient distributional regression trees learning algorithms for calibrated non-parametric probabilistic forecasts

arXiv.org Artificial Intelligence

The perspective of developing trustworthy AI for critical applications in science and engineering requires machine learning techniques that are capable of estimating their own uncertainty. In the context of regression, instead of estimating a conditional mean, this can be achieved by producing a predictive interval for the output, or to even learn a model of the conditional probability $p(y|x)$ of an output $y$ given input features $x$. While this can be done under parametric assumptions with, e.g. generalized linear model, these are typically too strong, and non-parametric models offer flexible alternatives. In particular, for scalar outputs, learning directly a model of the conditional cumulative distribution function of $y$ given $x$ can lead to more precise probabilistic estimates, and the use of proper scoring rules such as the weighted interval score (WIS) and the continuous ranked probability score (CRPS) lead to better coverage and calibration properties. This paper introduces novel algorithms for learning probabilistic regression trees for the WIS or CRPS loss functions. These algorithms are made computationally efficient thanks to an appropriate use of known data structures - namely min-max heaps, weight-balanced binary trees and Fenwick trees. Through numerical experiments, we demonstrate that the performance of our methods is competitive with alternative approaches. Additionally, our methods benefit from the inherent interpretability and explainability of trees. As a by-product, we show how our trees can be used in the context of conformal prediction and explain why they are particularly well-suited for achieving group-conditional coverage guarantees.


A Foundational Brain Dynamics Model via Stochastic Optimal Control

arXiv.org Machine Learning

We introduce a foundational model for brain dynamics that utilizes stochastic optimal control (SOC) and amortized inference. Our method features a continuous-discrete state space model (SSM) that can robustly handle the intricate and noisy nature of fMRI signals. To address computational limitations, we implement an approximation strategy grounded in the SOC framework. Additionally, we present a simulation-free latent dynamics approach that employs locally linear approximations, facilitating efficient and scalable inference. For effective representation learning, we derive an Evidence Lower Bound (ELBO) from the SOC formulation, which integrates smoothly with recent advancements in self-supervised learning (SSL), thereby promoting robust and transferable representations. Pre-trained on extensive datasets such as the UKB, our model attains state-of-the-art results across a variety of downstream tasks, including demographic prediction, trait analysis, disease diagnosis, and prognosis. Moreover, evaluating on external datasets such as HCP-A, ABIDE, and ADHD200 further validates its superior abilities and resilience across different demographic and clinical distributions. Our foundational model provides a scalable and efficient approach for deciphering brain dynamics, opening up numerous applications in neuroscience.


Does Unsupervised Domain Adaptation Improve the Robustness of Amortized Bayesian Inference? A Systematic Evaluation

arXiv.org Machine Learning

Neural networks are fragile when confronted with data that significantly deviates from their training distribution. This is true in particular for simulation-based inference methods, such as neural amortized Bayesian inference (ABI), where models trained on simulated data are deployed on noisy real-world observations. Recent robust approaches employ unsupervised domain adaptation (UDA) to match the embedding spaces of simulated and observed data. However, the lack of comprehensive evaluations across different domain mismatches raises concerns about the reliability in high-stakes applications. We address this gap by systematically testing UDA approaches across a wide range of misspecification scenarios in both a controlled and a high-dimensional benchmark. We demonstrate that aligning summary spaces between domains effectively mitigates the impact of unmodeled phenomena or noise. However, the same alignment mechanism can lead to failures under prior misspecifications - a critical finding with practical consequences. Our results underscore the need for careful consideration of misspecification types when using UDA techniques to increase the robustness of ABI in practice.


Conformal Prediction for Electricity Price Forecasting in the Day-Ahead and Real-Time Balancing Market

arXiv.org Artificial Intelligence

The integration of renewable energy into electricity markets poses significant challenges to price stability and increases the complexity of market operations. Accurate and reliable electricity price forecasting is crucial for effective market participation, where price dynamics can be significantly more challenging to predict. Probabilistic forecasting, through prediction intervals, efficiently quantifies the inherent uncertainties in electricity prices, supporting better decision-making for market participants. This study explores the enhancement of probabilistic price prediction using Conformal Prediction (CP) techniques, specifically Ensemble Batch Prediction Intervals and Sequential Predictive Conformal Inference. These methods provide precise and reliable prediction intervals, outperforming traditional models in validity metrics. We propose an ensemble approach that combines the efficiency of quantile regression models with the robust coverage properties of time series adapted CP techniques. This ensemble delivers both narrow prediction intervals and high coverage, leading to more reliable and accurate forecasts. We further evaluate the practical implications of CP techniques through a simulated trading algorithm applied to a battery storage system. The ensemble approach demonstrates improved financial returns in energy trading in both the Day-Ahead and Balancing Markets, highlighting its practical benefits for market participants.


Cyclic functional causal models beyond unique solvability with a graph separation theorem

arXiv.org Machine Learning

Functional causal models (fCMs) specify functional dependencies between random variables associated to the vertices of a graph. In directed acyclic graphs (DAGs), fCMs are well-understood: a unique probability distribution on the random variables can be easily specified, and a crucial graph-separation result called the d-separation theorem allows one to characterize conditional independences between the variables. However, fCMs on cyclic graphs pose challenges due to the absence of a systematic way to assign a unique probability distribution to the fCM's variables, the failure of the d-separation theorem, and lack of a generalization of this theorem that is applicable to all consistent cyclic fCMs. In this work, we develop a causal modeling framework applicable to all cyclic fCMs involving finite-cardinality variables, except inconsistent ones admitting no solutions. Our probability rule assigns a unique distribution even to non-uniquely solvable cyclic fCMs and reduces to the known rule for uniquely solvable fCMs. We identify a class of fCMs, called averagely uniquely solvable, that we show to be the largest class where the probabilities admit a Markov factorization. Furthermore, we introduce a new graph-separation property, p-separation, and prove this to be sound and complete for all consistent finite-cardinality cyclic fCMs while recovering the d-separation theorem for DAGs. These results are obtained by considering classical post-selected teleportation protocols inspired by analogous protocols in quantum information theory. We discuss further avenues for exploration, linking in particular problems in cyclic fCMs and in quantum causality.


Probabilistic Subspace Manifolds for Contextual Inference in Large Language Models

arXiv.org Artificial Intelligence

Representing token embeddings as probability distributions over learned manifolds allows for more flexible contextual inference, reducing representational rigidity while enhancing semantic granularity. Comparative evaluations demonstrate that probabilistic embeddings improve neighborhood consistency and decrease redundancy, ensuring that token relationships remain more structurally coherent across fine-tuning iterations. The integration of probabilistic subspaces within attention mechanisms facilitates more adaptive contextual weighting, enabling models to capture latent dependencies that would otherwise be obscured in conventional embeddings. Experimental results highlight increased robustness against adversarial modifications, with probabilistic embeddings preserving contextual integrity even under perturbation-based evaluation scenarios. Performance assessments indicate that probabilistic representations achieve greater adaptability in domain-specific applications, mitigating the need for extensive retraining when shifting across linguistic domains. Computational trade-offs remain within operationally feasible limits, with marginal increases in inference latency balanced against the benefits of enhanced representation stability and contextual expressiveness. The capacity to encode structured uncertainty provides advantages in generative modeling tasks, particularly where maintaining coherence across extended sequences requires a representation framework capable of handling ambiguous or context-dependent linguistic constructs.


PhyloVAE: Unsupervised Learning of Phylogenetic Trees via Variational Autoencoders

arXiv.org Machine Learning

Learning informative representations of phylogenetic tree structures is essential for analyzing evolutionary relationships. Classical distance-based methods have been widely used to project phylogenetic trees into Euclidean space, but they are often sensitive to the choice of distance metric and may lack sufficient resolution. In this paper, we introduce phylogenetic variational autoencoders (PhyloVAEs), an unsupervised learning framework designed for representation learning and generative modeling of tree topologies. Leveraging an efficient encoding mechanism inspired by autoregressive tree topology generation, we develop a deep latent-variable generative model that facilitates fast, parallelized topology generation. Phylo-VAE combines this generative model with a collaborative inference model based on learnable topological features, allowing for high-resolution representations of phylogenetic tree samples. Extensive experiments demonstrate PhyloVAE's robust representation learning capabilities and fast generation of phylogenetic tree topologies. Phylogenetic trees are the foundational structure for describing the evolutionary processes among individuals or groups of biological entities. Reconstructing these trees based on collected biological sequences (e.g., DNA, RNA, protein) from observed species, also known as phylogenetic inference (Felsenstein, 2004), is an essential discipline of computational biology (Fitch, 1971; Felsenstein, 1981; Yang & Rannala, 1997; Ronquist et al., 2012). Large collections of trees obtained from these approaches (e.g., posterior samples from MCMC runs (Ronquist et al., 2012)), however, are often difficult to summarize or visualize due to the discrete and non-Euclidean nature of the tree topology space The classical approach to visualize and analyze distributions of phylogenetic trees is to calculate pairwise distances between the trees and project them into a plane using multidimensional scaling (MDS) (Amenta & Klingner, 2002; Hillis et al., 2005; Jombart et al., 2017). However, these approaches have the shortcoming that one can not map an arbitrary point in the visualization to a tree, and therefore do not form an actual visualization of the relevant tree space.