Technology
Expectation Error Bounds for Transfer Learning in Linear Regression and Linear Neural Networks
Liu, Meitong, Jung, Christopher, Li, Rui, Feng, Xue, Zhao, Han
In transfer learning, the learner leverages auxiliary data to improve generalization on a main task. However, the precise theoretical understanding of when and how auxiliary data help remains incomplete. We provide new insights on this issue in two canonical linear settings: ordinary least squares regression and under-parameterized linear neural networks. For linear regression, we derive exact closed-form expressions for the expected generalization error with bias-variance decomposition, yielding necessary and sufficient conditions for auxiliary tasks to improve generalization on the main task. We also derive globally optimal task weights as outputs of solvable optimization programs, with consistency guarantees for empirical estimates. For linear neural networks with shared representations of width $q \leq K$, where $K$ is the number of auxiliary tasks, we derive a non-asymptotic expectation bound on the generalization error, yielding the first non-vacuous sufficient condition for beneficial auxiliary learning in this setting, as well as principled directions for task weight curation. We achieve this by proving a new column-wise low-rank perturbation bound for random matrices, which improves upon existing bounds by preserving fine-grained column structures. Our results are verified on synthetic data simulated with controlled parameters.
Topological Detection of Hopf Bifurcations via Persistent Homology: A Functional Criterion from Time Series
Barrios, Jhonathan, Echรกvez, Yรกsser, รlvarez, Carlos F.
We propose a topological framework for the detection of Hopf bifurcations directly from time series, based on persistent homology applied to phase space reconstructions via Takens embedding within the framework of Topological Data Analysis. The central idea is that changes in the dynamical regime are reflected in the emergence or disappearance of a dominant one-dimensional homological features in the reconstructed attractor. To quantify this behavior, we introduce a simple and interpretable scalar topological functional defined as the maximum persistence of homology classes in dimension one. This functional is used to construct a computable criterion for identifying critical parameters in families of dynamical systems without requiring knowledge of the underlying equations. The proposed approach is validated on representative systems of increasing complexity, showing consistent detection of the bifurcation point. The results support the interpretation of dynamical transitions as topological phase transitions and demonstrate the potential of topological data analysis as a model-free tool for the quantitative analysis of nonlinear time series.
Mixture-Model Preference Learning for Many-Objective Bayesian Optimization
Dubey, Manisha, De Peuter, Sebastiaan, Wang, Wanrong, Kaski, Samuel
Preference-based many-objective optimization faces two obstacles: an expanding space of trade-offs and heterogeneous, context-dependent human value structures. Towards this, we propose a Bayesian framework that learns a small set of latent preference archetypes rather than assuming a single fixed utility function, modelling them as components of a Dirichlet-process mixture with uncertainty over both archetypes and their weights. To query efficiently, we designing hybrid queries that target information about (i) mode identity and (ii) within-mode trade-offs. Under mild assumptions, we provide a simple regret guarantee for the resulting mixture-aware Bayesian optimization procedure. Empirically, our method outperforms standard baselines on synthetic and real-world many-objective benchmarks, and mixture-aware diagnostics reveal structure that regret alone fails to capture.
Diagnosing Non-Markovian Observations in Reinforcement Learning via Prediction-Based Violation Scoring
Reinforcement learning algorithms assume that observations satisfy the Markov property, yet real-world sensors frequently violate this assumption through correlated noise, latency, or partial observability. Standard performance metrics conflate Markov breakdowns with other sources of suboptimality, leaving practitioners without diagnostic tools for such violations. This paper introduces a prediction-based scoring method that quantifies non-Markovian structure in observation trajectories. A random forest first removes nonlinear Markov-compliant dynamics; ridge regression then tests whether historical observations reduce prediction error on the residuals beyond what the current observation provides. The resulting score is bounded in [0, 1] and requires no causal graph construction. Evaluation spans six environments (CartPole, Pendulum, Acrobot, HalfCheetah, Hopper, Walker2d), three algorithms (PPO, A2C, SAC), controlled AR(1) noise at six intensity levels, and 10 seeds per condition. In post-hoc detection, 7 of 16 environment-algorithm pairs, primarily high-dimensional locomotion tasks, show significant positive monotonicity between noise intensity and the violation score (Spearman rho up to 0.78, confirmed under repeated-measures analysis); under training-time noise, 13 of 16 pairs exhibit statistically significant reward degradation. An inversion phenomenon is documented in low-dimensional environments where the random forest absorbs the noise signal, causing the score to decrease as true violations grow, a failure mode analyzed in detail. A practical utility experiment demonstrates that the proposed score correctly identifies partial observability and guides architecture selection, fully recovering performance lost to non-Markovian observations. Source code to reproduce all results is provided at https://github.com/NAVEENMN/Markovianes.
Machine Learning-Assisted High-Dimensional Matrix Estimation
Tian, Wan, Yang, Hui, Lian, Zhouhui, Zhang, Lingyue, Peng, Yijie
Efficient estimation of high-dimensional matrices--including covariance and precision matrices--is a cornerstone of modern multivariate statistics. Most existing studies have focused primarily on the theoretical properties of the estimators (e.g., consistency and sparsity), while largely overlooking the computational challenges inherent in high-dimensional settings. Theoretically, we first prove the convergence of LADMM, and then establish the convergence, convergence rate, and monotonicity of its reparameterized counterpart; importantly, we show that the reparameterized LADMM enjoys a faster convergence rate. Notably, the proposed reparameterization theory and methodology are applicable to the estimation of both high-dimensional covariance and precision matrices. Keywords: ADMM; High-dimensional; Learning-based optimization; Matrix estimation. 1. Introduction High-dimensional matrix estimation--covering both covariance and precision matrix estimation--constitutes a cornerstone of modern statistics and data science [1, 2, 3]. Accurate covariance estimation enables the characterization of dependence structures among a large number of variables [4, 5, 6], which is indispensable in diverse domains such as genomics [7, 8], neuroscience [9], finance [10, 11, 12], and climate science [13, 14]. Over the past two decades, substantial progress has been made in the statistical theory of high-dimensional matrix estimation, particularly with respect to the accuracy of estimators, including properties such as sparsistency and consistency [5, 15, 16]. However, in empirical studies, the dimensionality is often only on the order of tens to hundreds, and in many cases is comparable to the sample size [21, 22, 23, 24]. This observation highlights a notable gap between the statistical theory of estimators and the practical challenges of their computational implementation.
A Comparative Investigation of Thermodynamic Structure-Informed Neural Networks
Physics-informed neural networks (PINNs) offer a unified framework for solving both forward and inverse problems of differential equations, yet their performance and physical consistency strongly depend on how governing laws are incorporated. In this work, we present a systematic comparison of different thermodynamic structure-informed neural networks by incorporating various thermodynamics formulations, including Newtonian, Lagrangian, and Hamiltonian mechanics for conservative systems, as well as the Onsager variational principle and extended irreversible thermodynamics for dissipative systems. Through comprehensive numerical experiments on representative ordinary and partial differential equations, we quantitatively evaluate the impact of these formulations on accuracy, physical consistency, noise robustness, and interpretability. The results show that Newtonian-residual-based PINNs can reconstruct system states but fail to reliably recover key physical and thermodynamic quantities, whereas structure-preserving formulation significantly enhances parameter identification, thermodynamic consistency, and robustness. These findings provide practical guidance for principled design of thermodynamics-consistency model, and lay the groundwork for integrating more general nonequilibrium thermodynamic structures into physics-informed machine learning.
RG-TTA: Regime-Guided Meta-Control for Test-Time Adaptation in Streaming Time Series
Kumar, Indar, Tiwari, Akanksha, Jasti, Sai Krishna, Lade, Ankit Hemant
Test-time adaptation (TTA) enables neural forecasters to adapt to distribution shifts in streaming time series, but existing methods apply the same adaptation intensity regardless of the nature of the shift. We propose Regime-Guided Test-Time Adaptation (RG-TTA), a meta-controller that continuously modulates adaptation intensity based on distributional similarity to previously-seen regimes. Using an ensemble of Kolmogorov-Smirnov, Wasserstein-1, feature-distance, and variance-ratio metrics, RG-TTA computes a similarity score for each incoming batch and uses it to (i) smoothly scale the learning rate -- more aggressive for novel distributions, conservative for familiar ones -- and (ii) control gradient effort via loss-driven early stopping rather than fixed budgets, allowing the system to allocate exactly the effort each batch requires. As a supplementary mechanism, RG-TTA gates checkpoint reuse from a regime memory, loading stored specialist models only when they demonstrably outperform the current model (loss improvement >= 30%). RG-TTA is model-agnostic and strategy-composable: it wraps any forecaster exposing train/predict/save/load interfaces and enhances any gradient-based TTA method. We demonstrate three compositions -- RG-TTA, RG-EWC, and RG-DynaTTA -- and evaluate 6 update policies (3 baselines + 3 regime-guided variants) across 4 compact architectures (GRU, iTransformer, PatchTST, DLinear), 14 datasets (6 real-world multivariate benchmarks + 8 synthetic regime scenarios), and 4 forecast horizons (96, 192, 336, 720) under a streaming evaluation protocol with 3 random seeds (672 experiments total). Regime-guided policies achieve the lowest MSE in 156 of 224 seed-averaged experiments (69.6%), with RG-EWC winning 30.4% and RG-TTA winning 29.0%. Overall, RG-TTA reduces MSE by 5.7% vs TTA while running 5.5% faster; RG-EWC reduces MSE by 14.1% vs standalone EWC.
Persistence diagrams of random matrices via Morse theory: universality and a new spectral diagnostic
We prove that the persistence diagram of the sublevel set filtration of the quadratic form f(x) = x^T M x restricted to the unit sphere S^{n-1} is analytically determined by the eigenvalues of the symmetric matrix M. By Morse theory, the diagram has exactly n-1 finite bars, with the k-th bar living in homological dimension k-1 and having length equal to the k-th eigenvalue spacing s_k = ฮป_{k+1} - ฮป_k. This identification transfers random matrix theory (RMT) universality to persistence diagram universality: for matrices drawn from the Gaussian Orthogonal Ensemble (GOE), we derive the closed-form persistence entropy PE = log(8n/ฯ) - 1, and verify numerically that the coefficient of variation of persistence statistics decays as n^{-0.6}. Different random matrix ensembles (GOE, GUE, Wishart) produce distinct universal persistence diagrams, providing topological fingerprints of RMT universality classes. As a practical consequence, we show that persistence entropy outperforms the standard level spacing ratio \langle r \rangle for discriminating GOE from GUE matrices (AUC 0.978 vs. 0.952 at n = 100, non-overlapping bootstrap 95% CIs), and detects global spectral perturbations in the Rosenzweig-Porter model to which \langle r \rangle is blind. These results establish persistence entropy as a new spectral diagnostic that captures complementary information to existing RMT tools.
Profile Graphical Models
Avalos-Pacheco, Alejandra, Lupparelli, Monia, Stingo, Francesco C.
We introduce a novel class of graphical models, termed profile graphical models, that represent, within a single graph, how an external factor influences the dependence structure of a multivariate set of variables. This class is quite general and includes multiple graphs and chain graphs as special cases. Profile graphical models capture the conditional distributions of a multivariate random vector given different levels of a risk factor, and learn how the conditional independence structure among variables may vary across these risk profiles; we formally define this family of models and establish their corresponding Markov properties. We derive key structural and probabilistic properties that underpin a more powerful inferential framework than existing approaches, underscoring that our contribution extends beyond a novel graphical representation.Furthermore, we show that the resulting profile undirected graphical models are independence-compatible with two-block LWF chain graph models.We then develop a Bayesian approach for Gaussian undirected profile graphical models based on continuous spike-and-slab priors to learn shared sparsity structures across different levels of the risk factor. We also design a fast EM algorithm for efficient inference. Inferential properties are explored through simulation studies, including the comparison with competing methods. The practical utility of this class of models is demonstrated through the analysis of protein network data from various subtypes of acute myeloid leukemia. Our results show a more parsimonious network and greater patient heterogeneity than its competitors, highlighting its enhanced ability to capture subject-specific differences.
Energy Score-Guided Neural Gaussian Mixture Model for Predictive Uncertainty Quantification
Yang, Yang, Ji, Chunlin, Li, Haoyang, Deng, Ke
Quantifying predictive uncertainty is essential for real world machine learning applications, especially in scenarios requiring reliable and interpretable predictions. Many common parametric approaches rely on neural networks to estimate distribution parameters by optimizing the negative log likelihood. However, these methods often encounter challenges like training instability and mode collapse, leading to poor estimates of the mean and variance of the target output distribution. In this work, we propose the Neural Energy Gaussian Mixture Model (NE-GMM), a novel framework that integrates Gaussian Mixture Model (GMM) with Energy Score (ES) to enhance predictive uncertainty quantification. NE-GMM leverages the flexibility of GMM to capture complex multimodal distributions and leverages the robustness of ES to ensure well calibrated predictions in diverse scenarios. We theoretically prove that the hybrid loss function satisfies the properties of a strictly proper scoring rule, ensuring alignment with the true data distribution, and establish generalization error bounds, demonstrating that the model's empirical performance closely aligns with its expected performance on unseen data. Extensive experiments on both synthetic and real world datasets demonstrate the superiority of NE-GMM in terms of both predictive accuracy and uncertainty quantification.