Undirected Networks
Time Series Analysis in Machine Learning
Pagliaro, Antonio, Anzalone, Anna
Time series analysis is a fundamental component of machine learning, especially in astrophysics and cosmology where temporal data abound. This chapter provides a pedagogical review of time series analysis techniques from a machine learning perspective. We cover the basic concepts of time series (stationarity, autocorrelation, seasonality), classical statistical models (autoregressive, moving average, ARIMA, exponential smoothing, state-space models), and modern machine learning approaches. In particular, we discuss how traditional statistical methods lay the groundwork, and then explore machine learning methods for time series, including feature-based regression, tree-based ensemble methods, hidden Markov models, Gaussian processes, and deep learning models (recurrent neural networks, convolutional networks, transformers). Throughout, we illustrate with examples drawn from multiple domains (e.g. astronomy, weather forecasting, finance) to emphasize common principles. The goal is to equip readers with both the theoretical understanding and practical context to apply machine learning techniques for time series analysis in their research.
Unbiased Derivative Estimation for Stationary Mean of Parameterized Markov chains
Wang, Jeffrey, Rhee, Chang-han
We propose a new approach to unbiased estimation of the gradients of the stationary means associated with parametrized families of Markov chains. Our estimators are particularly efficient when the Markov chains have slow mixing rate. Our approach does not require a specific parametrization except for an oracle to evaluate the transition density and its gradient at a given data point without any additional knowledge about the density function itself. It makes our estimator suitable for parametrizations associated with neural networks. The estimator can potentially achieve large improvement in terms of efficiency. Numerical experiments confirm the good performance predicted by the theory.
Adapting to Stochastic and Adversarial Losses in Episodic MDPs with Aggregate Bandit Feedback
We study online learning in finite-horizon episodic Markov decision processes (MDPs) under the challenging \textit{aggregate bandit feedback} model, where the learner observes only the cumulative loss incurred in each episode, rather than individual losses at each state-action pair. While prior work in this setting has focused exclusively on worst-case analysis, we initiate the study of \textit{best-of-both-worlds} (BOBW) algorithms that achieve low regret in both stochastic and adversarial environments. We propose the first BOBW algorithms for episodic tabular MDPs with aggregate bandit feedback. In the case of known transitions, our algorithms achieve $O(\log T)$ regret in stochastic settings and ${O}(\sqrt{T})$ regret in adversarial ones. Importantly, we also establish matching lower bounds, showing the optimality of our algorithms in this setting. We further extend our approach to unknown-transition settings by incorporating confidence-based techniques. Our results rely on a combination of FTRL over occupancy measures, self-bounding techniques, and new loss estimators inspired by recent advances in online shortest path problems. Along the way, we also provide the first individual-gap-dependent lower bounds and demonstrate near-optimal BOBW algorithms for shortest path problems with bandit feedback.
Rank Collapse, Fixed Points, and the Renormalization Group Structure of MLP Residual Networks
Haggi-Mani, Parviz, Rish, Irina
The analogy between deep neural network forward passes and renormalization group (RG) flows has been repeatedly noted in the literature, but existing treatments remain qualitative: depth is described as a coarse-graining scale, attention is likened to a partition function, and representations are said to flow toward fixed points. No existing work has defined a measurable RG order parameter, tested it under controlled variation of the input distribution, or made quantitative predictions that are empirically verified. We study the simplest architecture for which the analogy is tractable: a pure MLP residual stack trained on masked token prediction over synthetic Markov chain sequences with known spectral properties. We report three findings. (i) The effective rank of the residual stream decreases monotonically with depth after training, consistent with progressive integration of irrelevant degrees of freedom. (ii) This rank collapse is selective: it occurs for chains with short correlation length approximately 1 but is absent for chains with long correlation length approximately 7, measured at the position level to control for mean-pooling artifacts. The network preserves exactly the degrees of freedom relevant to the prediction task, the content of the RG relevance criterion. (iii) Inter-layer kernel drift is concentrated at one or two specific transitions, with the remainder of the network near a fixed point, consistent with a discrete fixed-point plateau. Together these findings constitute the first quantitative, position-level evidence that MLP residual networks implement a selective coarse-graining procedure governed by the spectral structure of the input distribution.
Dead Directions: Geometric Singular Learning
Singular learning theory and information geometry have studied the same parameter spaces in mostly separate vocabularies: the former computes Bayesian invariants in resolved coordinates, the latter works in original coordinates under a non-degeneracy assumption that overparameterised models routinely violate. We bridge them through one primitive, the dead direction: a unit vector along which the Fisher metric degenerates, equivalently a tangent to the analytic singular set with a definite KL order, set by how fast the KL divergence vanishes. The two readings name the same vector; our central move shows its KL order is recoverable as the decay rate of the directional Fisher curvature approaching the singularity, in original parameter coordinates and without a Hironaka resolution. A selection rule on smooth fibres translates this rate into Watanabe's single-direction contribution to the real log canonical threshold, and we extend the recovery to multi-component crossings, multiplicity $m$, the singular fluctuation $ฮฝ$ (universal in the KL order for 1D directions), prior-RLCT shifts, and tempered posteriors. We then lift this rate to a deep network: a multi-layer K-FAC factorisation writes each Fisher block as a product of activation- and gradient-side rates with a duality between them, instantiated at modern-network primitives (residual streams, layer normalisation, attention). A quotient theorem carries the rate to the gauge quotient $ฮ/G$ under gradient flow on a $G$-invariant metric; SGD qualifies, standard Adam does not, and we construct a $G$-equivariant Adam-family preconditioner (DDCAdam) that does. The bridge yields a parameter-coordinate handle on singular geometry, closed-form per-architecture predictions, and a trajectory-rate readout of Watanabe's triple $(ฮป, m, ฮฝ)$ from one checkpoint's forward and backward passes, without posterior sampling.
Tensor decompositions for learning latent variable models
Anandkumar, Anima, Ge, Rong, Hsu, Daniel, Kakade, Sham M., Telgarsky, Matus
This work considers a computationally and statistically efficient parameter estimation method for a wide class of latent variable models---including Gaussian mixture models, hidden Markov models, and latent Dirichlet allocation---which exploits a certain tensor structure in their low-order observable moments (typically, of second- and third-order). Specifically, parameter estimation is reduced to the problem of extracting a certain (orthogonal) decomposition of a symmetric tensor derived from the moments; this decomposition can be viewed as a natural generalization of the singular value decomposition for matrices. Although tensor decompositions are generally intractable to compute, the decomposition of these specially structured tensors can be efficiently obtained by a variety of approaches, including power iterations and maximization approaches (similar to the case of matrices). A detailed analysis of a robust tensor power method is provided, establishing an analogue of Wedin's perturbation theorem for the singular vectors of matrices. This implies a robust and computationally tractable estimation approach for several popular latent variable models.
Large-scale Uncertainty Quantification for Latent Variable Models Using Subsampling Markov Chain Monte Carlo
Wang, Xiaoyu, Huggins, Jonathan H.
Stochastic gradient Langevin dynamics combined with Gibbs updates (SGLD--Gibbs) provides a highly scalable approach to approximate Bayesian inference in latent variable models. However, it remains unclear how to tune the algorithm's hyperparameters in a principled manner to ensure the uncertainty estimates are statistically meaningful. In this work, we address this gap in tuning guidance by developing a statistical scaling limit theory for SGLD--Gibbs. We derive a joint asymptotic limit for the global parameters and latent variables under appropriate space-time rescaling. We show that global parameters converge to a diffusion-type limit, while each latent variable converges to a jump process, reflecting the use of intermittent Gibbs updates. This joint jump-diffusion structure reveals how latent-variable randomness contributes to the stationary distribution of the global parameters. We leverage our results to propose explicit guidance on hyperparameter tuning for SGLD--Gibbs that ensures meaningful uncertainty quantification. Numerical experiments show that SGLD--Gibbs with our tuning guidance leads to better parameter estimates, uncertainty quantification, and predictive performance than stochastic variational inference.
True Self-Avoiding Walk for Accelerating Markov-Chain Monte Carlo Integration
Qinghua, null, Ding, null, Anantharam, Venkat
We study true self-avoiding walk (TSAW) as a mechanism for improving empirical integral estimation via Markov chain Monte Carlo (MCMC). We consider finite-state adaptive sampling dynamics associated with an irreducible Markov kernel $P$ on a finite set, with stationary distribution $ฯ$, in which the transition probabilities are penalized according to empirical overuse. Our main result is that the empirical occupation counts $L_t(i)$ and transition counts $N_t(i,j)$ of the resulting TSAW-based walk satisfy \[ L_t(i)-tฯ_i = O(\sqrt{\log t}) \quad\text{and}\quad N_t(i,j)-tฯ_iP_{ij}=O(\sqrt{\log t}) \qquad\text{almost surely} \] for every state $i$ and every edge $(i,j)$ with $P_{ij}>0$. Consequently, for every bounded function $f:V\to\mathbb R$, the error of our integral estimator converges as \[ \left|\frac1t\sum_{s=0}^{t-1} f(X_s)-\sum_{i\in V}ฯ_i f(i)\right| = O\left(\frac{\sqrt{\log t}}{t}\right) \qquad\text{almost surely}. \] These results show that, in contrast with the usual $t^{-1/2}$ error scaling for empirical averages under standard random-walk-based methods, TSAW-based estimator yields empirical integral errors of order $O(\sqrt{\log t}/t)$ almost surely, thereby achieving a substantially sharper dependence on the sample size $t$.
Leave a Window Out: Modifying the Jackknife for Predictive Inference in Time Series
Jiang, Hanyang, Barber, Rina Foygel, Pananjady, Ashwin, Xie, Yao
Conformal prediction methods enjoy strong theoretical and empirical predictive inference performance, provided the data is exchangeable, and predictors are trained in a memoryless fashion. However, these assumptions and constraints are impractical in many real-data settings, such as time series (where temporal dependence violates exchangeability, and where memoryless predictors will inevitably have poor predictive accuracy). Recent work shows that the split conformal prediction method is robust to these issues of memory-based predictors and deviations from exchangeability that are common features of time-series data. However, since using sample splitting can lead to lower accuracy, this motivates asking whether other predictive inference methods (that do not rely on data splitting) could also be reliably used in the time series setting. In this work, we show that the vanilla leave-one-out jackknife can suffer an arbitrary loss of coverage even in canonical time series models with mild temporal dependence. As a remedy, we propose a careful modification tailored to such settings, which we term the \emph{leave-a-window-out} (LWO) method, and show that it can achieve valid coverage provided that the model-fitting procedure satisfies mild stability properties. Our proofs are based on quantifying the degree to which the data departs from \emph{cyclic exchangeability}, and we introduce new coefficients to measure the extent of this departure. Experiments on time series data demonstrate that our LWO method often enjoys valid coverage when the vanilla jackknife fails to cover, while producing much narrower intervals than split conformal prediction.
Detecting Metastable Basins in High Dimensions via Marginal Trajectory Distribution Discrimination
We study the problem of identifying dynamically distinct basins of attraction in high dimensional time-homogeneous Markov processes using only trajectory sampling. This problem is fundamental in the analysis of metastable dynamical systems, where the process rapidly mixes within basins while transitions between basins occur rarely on the timescale of interest, or even when the state space is reducible. Existing approaches typically rely on spatial discretization or spectral analysis of estimated transition operators, which can become unreliable in high dimensional settings or when the underlying basin geometry is highly nonlinear. We propose a discriminative approach to basin identification based on marginal trajectory distribution comparison. We prove a simple risk separation result: if two initial states belong to the same basin, the Bayes-optimal classifier distinguishing their marginal trajectory distributions achieves risk close to 1/2, whereas if they lie in distinct basins, the optimal risk is close to zero. This observation reduces basin detection to a two-sample discrimination problem between marginal trajectory distributions. Motivated by this principle, we develop a neural algorithm that receives a set of candidate basin representatives and iteratively merges them by estimating classification risk with a neural network that approximates the Bayes classifier. We evaluate the method on various metastable systems. These include synthetic systems constructed by embedding low-dimensional dynamics into high dimensional noisy ambient spaces. In these settings, standard spectral and clustering-based methods often fail, while our approach accurately recovers the underlying basin structure. These results display a shortcoming of existing methods and highlight trajectory discrimination as an effective tool for identifying dynamical basins in high dimensional stochastic systems.