Learning Graphical Models
A proximal gradient algorithm for composite log-concave sampling
We propose an algorithm to sample from composite log-concave distributions over $\mathbb{R}^d$, i.e., densities of the form $π\propto e^{-f-g}$, assuming access to gradient evaluations of $f$ and a restricted Gaussian oracle (RGO) for $g$. The latter requirement means that we can easily sample from the density $\text{RGO}_{g,h,y}(x) \propto \exp(-g(x) -\frac{1}{2h}||y-x||^2)$, which is the sampling analogue of the proximal operator for $g$. If $f + g$ is $α$-strongly convex and $f$ is $β$-smooth, our sampler achieves $\varepsilon$ error in total variation distance in $\widetilde{\mathcal O}(κ\sqrt d \log^4(1/\varepsilon))$ iterations where $κ:= β/α$, which matches prior state-of-the-art results for the case $g=0$. We further extend our results to cases where (1) $π$ is non-log-concave but satisfies a Poincaré or log-Sobolev inequality, and (2) $f$ is non-smooth but Lipschitz.
Spherical Flows for Sampling Categorical Data
Chemseddine, Jannis, Kornhardt, Gregor, Steidl, Gabriele
We study the problem of learning generative models for discrete sequences in a continuous embedding space. Whereas prior approaches typically operate in Euclidean space or on the probability simplex, we instead work on the sphere $\mathbb S^{d-1}$. There the von Mises-Fisher (vMF) distribution induces a natural noise process and admits a closed-form conditional score. The conditional velocity is in general intractable. Exploiting the radial symmetry of the vMF density we reduce the continuity equation on $\mathbb S^{d-1}$ to a scalar ODE in the cosine similarity, whose unique bounded solution determines the velocity. The marginal velocity and marginal score on $(\mathbb S^{d-1})^L$ both decompose into posterior-weighted tangent sums that differ only by per-token scalar weights. This gives access to both ODE and predictor-corrector (PC) sampling. The posterior is the only learned object, trained by a cross-entropy loss. Experiments compare the vMF path against geodesic and Euclidean alternatives. The combination of vMF and PC sampling significantly improves results on Sudoku and language modeling.
On Observation Time for Recovering Latent Hawkes Networks
Linkerhägner, Jonas, Bortolasi, Michele, Baldassari, Lorenzo, de Hoop, Maarten V., Dokmanić, Ivan
Dynamics of interacting systems in engineering, society, and nature often evolve over latent networks that govern which entities can interact. We study the problem of inferring these networks from event-based observations, which arise naturally in finance, seismology, and neuroscience. While there is substantial algorithmic work addressing this important problem, theoretical results are scarce. In this paper we ask the following fundamental question: what is the minimum time that one must observe the dynamics in order to exactly recover the underlying network, as a function of the number $d$ of interacting entities? For a class of stationary Hawkes processes with sparse, weak interactions, we prove that an observation time of order $\log d$ is sufficient and necessary. For the upper bound we construct a two-stage estimator that uses clipped and binned event data for screening, followed by a least-squares refinement, and apply concentration bounds derived from the Poisson cluster representation. For the lower bound we combine Fano's inequality with Jacod's Girsanov formula for point processes on a suitable subclass of networks.
Posterior Concentration of Bayesian Physics-Informed Neural Networks for Elliptic PDEs
Unlike a standard PINN--which produces an approximate Deep neural networks (DNNs) or multi-layer perceptronssolution by minimizing a PDE-residual loss and thus yields (MLPs) offer various inherent advantages over traditionalonly a point estimate, failing to quantify uncertainty inapproaches of scientific computing and data analysis, suchduced by noisy or limited data, a Bayesian PINN returns a as finite element methods, wavelets and kernel methods, full posterior distribution over solutions by combining the which are often hampered by the irregular and nonlinearuncertain information from the likelihood (data) and the data structures and the high input dimensions. In contrast, DNNs are capable of approximating a rich class of functions prior. Bayesian neural networks, originating in the seminal works of MacKay (MacKay, 1995) and Neal (Neal, 1995), with aforementioned complexities and can also easily en-have been extensively studied over the past three decades codes additional complex physical structures, such as sym- (Lampinen & Vehtari, 2001; Titterington, 2004; Graves, metry and other invariant structures.
Reinforcement Learning Measurement Model
Interactive assessments generate sequential process data that are not well handled by conventional item response models. Existing MDP-based measurement approaches, such as the Markov decision process measurement model (MDP-MM, LaMar, 2018), link action choices to state-action values, but their reliance on person-specific tabular value functions makes them difficult to scale beyond small, fully enumerated tasks. We propose the Reinforcement Learning Measurement Model (RLMM), a measurement framework that decouples person-level choice sensitivity from task-level value representation through a shared parametric action-value function, making estimation more computationally efficient for larger process-data settings. The model combines a Boltzmann choice rule with normalized advantages, a soft Bellman consistency penalty, and a block-coordinate MAP procedure for joint estimation, while also yielding step-level influence diagnostics for identifying behaviorally critical decisions. In peg-solitaire simulations, the RLMM achieved higher estimation accuracy and substantially lower runtime than the original MDP-MM, with advantages increasing as task complexity grew. In AQUALAB gameplay logs, the estimated person parameter was positively associated with cumulative reward, task completion, and behavioral efficiency. These results show that the RLMM extends decision-process-based psychometric models to larger and more behaviorally realistic environments while preserving an interpretable latent trait tied to decision making steps.
Empirical Bayes 1-bit matrix completion
Matrix completion is a fundamental problem in machine learning, where the objective is to recover missing entries of a partially observed matrix. A prominent example is the Netflix Prize (Bennett and Lanning, 2007), which involved predicting a matrix of movie ratings by users for recommendation purposes. Beyond recommendation, matrix completion has recently found applications in causal inference for panel data (Athey et al., 2021). A standard assumption in matrix completion is that the underlying matrix is approximately low-rank, reflecting a few latent factors that govern interactions between rows and columns. A substantial body of work has established theoretical guarantees and developed efficient algorithms for matrix completion (Cai, Cand`es and Shen, 2010; Cand`es and Recht, 2008; Keshavan, Montanari, and Oh, 2010; Mazumder, Hastie and Tibshirani, 2010; Recht, 2011), predominantly focusing on cases where the observed entries are continuous-valued. In many applications, however, observations are not continuous-valued but binary.
Learning stochastic multiscale models through normalizing flows
Many systems in physics, engineering, and biology exhibit multiscale stochastic dynamics, where low-dimensional slow variables evolve under the influence of high-dimensional fast processes. In practice, observations are often limited to a single trajectory of the slow component, while the fast dynamics remain unobserved, making statistical learning challenging. Approaches based on partial differential equations (PDE), such as Fokker-Planck formulations, aim to characterize the evolution of probability densities, typically requiring dense space-time data or grid-based solvers. In contrast, we adopt a trajectory-based perspective and develop a data-driven framework for learning effective stochastic dynamics from a single observed path. We model the dynamics by coupled multiscale stochastic differential equations (SDEs) and first obtain a principled model reduction through stochastic averaging. Unlike generic model reduction techniques such as PCA, this respects the dynamical structure of the original system and explicitly incorporates the interaction between slow and fast scales. A central challenge, however, is that the reduced model depends on the invariant distribution of the fast process, which is a solution to an intractable and often unknown PDE. We introduce a novel learning framework that parameterizes the invariant distribution using normalizing flows, enabling expressive density modeling in the latent fast-variable space. The flow is trained end-to-end by optimizing a penalized likelihood objective induced by the reduced stochastic dynamics. Furthermore, we develop a Bayesian variational inference procedure for uncertainty quantification, employing a second normalizing flow to approximate the posterior distribution over model parameters. This yields a scalable approach to capturing epistemic uncertainty in multiscale systems.
Extended Wasserstein-GAN Approach to Causal Distribution Learning: Density-Free Estimation and Minimax Optimality
Tamano, Shu, Imaizumi, Masaaki
Distributional causal inference requires estimating not only average treatment effects but also interventional outcome distributions, including quantiles, tail risks, and policy-dependent uncertainty. As a method for distributional causal inference, generative adversarial network (GAN)-based counterfactual methods are flexible tools for this task. However, these methods have several limitations. First, the objectives of certain techniques do not coincide with the statistical risk of the identifiable causal target, and therefore provide limited theoretical guarantees regarding estimable counterfactual distributions or optimality. Second, they tend to rely on unstable density-based methods, such as density ratio estimation. In this paper, we propose GANICE (GAN for Interventional Conditional Estimation) with several advantages: it (i) clarifies the conditional interventional distribution for each treatment--covariate state as the causal estimation target; (ii) estimates the conditional distribution such that its averaged Wasserstein risk is minimized; (iii) establishes minimax optimality. GANICE achieves these advantages through the introduction of the extended Wasserstein distance, the incorporation of a cellwise critic in its dual, and an optimality proof based on Besov space theory. Our experiments demonstrate that GANICE consistently outperforms existing methods.
Uncertainty in Physics and AI: Taxonomy, Quantification, and Validation
Haußmann, Manuel, Winterhalder, Ramon, Ubiali, Maria
Reliable uncertainty quantification is essential for the use of machine learning in physics, where scientific discoveries depend on validated probabilistic statements. We provide a structured overview of uncertainty quantification in ML for physics, introducing a unified taxonomy of uncertainty and clarifying the interpretation of predictive and inference uncertainties across frequentist and Bayesian frameworks. We discuss principled validation tools, including coverage, calibration, bias tests, and proper scoring rules, and illustrate them with simple regression and classification examples.
A Recursive Decomposition Framework for Causal Structure Learning in the Presence of Latent Variables
Li, Zheng, Xie, Feng, Nie, Shenglan, Guo, Xichen, Wang, Ruxin, Zhang, Hao
Constraint-based causal discovery is widely used for learning causal structures, but heavy reliance on conditional independence (CI) testing makes it computationally expensive in high-dimensional settings. To mitigate this limitation, many divide-and-conquer frameworks have been proposed, but most assume causal sufficiency, i.e., no latent variables. In this paper, we show that divide-and-conquer strategies can be theoretically generalized beyond causal sufficiency to settings with latent variables. Specifically, we propose a recursive decomposition framework, termed DiCoLa, that enables divide-and-conquer causal discovery in the presence of latent variables. It recursively decomposes the global learning task into smaller subproblems and integrates their solutions through a principled reconstruction step to recover the global structure. We theoretically establish the soundness and completeness of the proposed framework. Extensive experiments on synthetic data demonstrate that our approach significantly improves computational efficiency across a range of causal discovery algorithms, while experiments on a real-world dataset further illustrate its practical effectiveness.