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Estimating Implicit Regularization in Deep Learning

arXiv.org Machine Learning

Deep learning systems are known to exhibit implicit regularization (alt. implicit bias), favoring simple solutions instead of merely minimizing the loss function. In some cases, we can analytically derive the implicit regularization -- connecting it to an equivalent penalty that augments the learning objective. However, modern deep learning systems are complex, carrying modifications to the training procedure and architecture (e.g. early stopping, minibatching, dropout) whose effects are not always directly interpretable. Although estimating the resulting implicit regularization could aid theorists in algorithm design and practitioners in interpreting their hyperparameter choices, this problem has received little direct attention. It is also tractable: regularization makes weight updates deviate from loss gradients, promising a signal for identifying implicit bias. Here we provide gradient matching methods that can be used to empirically estimate the implicit regularization. Our method works on networks with known regularization, recovering popular explicit penalties like $\ell_1$ and $\ell_2$. It also replicates known implicit effects, like the quadratic weight penalty induced by early stopping in gradient descent, demonstrating that it can be used to test theories of implicit regularization. Crucially, because our method is empirical, it can handle implicit regularization in arbitrary networks. We demonstrate this use by characterizing the effects of dropout in deep networks, showing implicit $\ell_2$ effects in this popular method. Our work shows that practitioners can use gradient matching to understand regularization in networks with implicit biases that are too complicated to derive analytically.


Convexity in Disguise: A Theoretical Framework for Nonconvex Low-Rank Matrix Estimation

arXiv.org Machine Learning

Nonconvex methods have emerged as a dominant approach for low-rank matrix estimation, a problem that arises widely in machine learning and AI for learning and representing high-dimensional data. Existing analyses for these methods often require additional regularization to mitigate nonconvexity, even though such regularization is often unnecessary in practice. Moreover, most analyses rely on problem-specific arguments that are difficult to generalize to more complex settings. In this paper, we develop a theoretical framework for studying nonconvex procedures across a broad class of low-rank matrix estimation problems. Rather than focusing on a specific model, we reveal a fundamental mechanism that explains why nonconvex procedures can behave well in low-rank estimation. Our key device is a {\it benign regularizer} that does not alter the original update rule, but yields an equivalent locally strongly convex formulation of the algorithm. This perspective uncovers a disguised convexity inherent in the nonconvex procedure and provides a new route to theoretical guarantees for nonconvex low-rank matrix estimation.


Non-Myopic Active Feature Acquisition via Pathwise Policy Gradients

arXiv.org Machine Learning

Active feature acquisition (AFA) considers prediction problems in which features are costly to obtain and the learner adaptively decides which feature values to acquire for each instance and when to stop and predict. AFA can be formulated as a partially observable Markov decision process (POMDP), which naturally admits a sequential decision-making perspective. In this paper, we present non-myopic pathwise policy gradients (NM-PPG), a new AFA method built around this formulation. We introduce a continuous relaxation of the acquisition process that enables pathwise gradients through the full acquisition trajectory, avoiding the high variance of standard score-function policy gradients while allowing end-to-end optimization of a non-myopic acquisition policy. To better align training with deployment, we further develop a straight-through rollout scheme that follows hard feature acquisitions in the forward pass while backpropagating through the corresponding soft relaxation in the backward pass. We stabilize optimization with entropy regularization and staged temperature sharpening. Experiments on both synthetic and real-world datasets demonstrate that NM-PPG yields superior performance relative to state-of-the-art AFA baselines.


Bayesian Rain Field Reconstruction using Commercial Microwave Links and Diffusion Model Priors

arXiv.org Machine Learning

Commercial Microwave Links (CMLs) offer dense spatial coverage for rainfall sensing but produce path-integrated measurements that make accurate ground-level reconstruction challenging. Existing methods typically oversimplify CMLs as point sensors and neglect line integration relating rainfall to signal attenuation, resulting in degraded performance under heterogeneous precipitation. In this work, we view rain field reconstruction as a Bayesian inverse problem with Diffusion Models (DMs) as high-fidelity spatial priors. We show that diffusion models better preserve key rainfall statistics compared to censored Gaussian processes. Framing rainfall estimation as a Bayesian inverse problem with a DM prior enables training-free posterior sampling using a broad family of methods, including Plug-and-Play, Sequential Monte Carlo, and Replica Exchange methods. Experiments on synthetic and real-world datasets demonstrate consistent improvements over established CML-based reconstruction baselines.


Permutation-preserving Functions and Neural Vecchia Covariance Kernels

arXiv.org Machine Learning

We introduce a novel framework for constructing scalable and flexible covariance kernels for Gaussian processes (GPs) by directly learning the covariance structure under a regression-type parameterization induced by Vecchia approximations, using deep neural architectures. Specifically, we model kriging coefficients and conditional standard deviations, deterministic quantities that uniquely characterize the covariance, providing stable and informative learning targets. Exploiting the permutation-equivariant structure of conditioning sets in the Vecchia factorization, we derive a universal representation for permutation-preserving functions and design neural architectures that respect this symmetry, leading to improved training stability and data efficiency. The proposed approach enables expressive, non-stationary kernel learning while maintaining computational scalability, thereby bridging classical GP methodology with modern deep learning.


Relaxed Sparsest-Permutation Formulation for Causal Discovery at Scale

arXiv.org Machine Learning

Despite the growing availability of large datasets, causal structure learning remains computationally prohibitive at scale. We revisit sparsest-permutation learning for linear structural equation models and show that exact Cholesky factorization is unnecessary for structure recovery. This observation motivates a support-level relaxation that searches for sparse triangular factors over a precision-support screening graph. The relaxed formulation can be efficiently evaluated via masked zero-fill incomplete Cholesky factorization, enabling scalable comparison of candidate orderings. At the population level, we establish soundness for Markov equivalence class (MEC) recovery under no-cancellation and sparsest Markov representation assumptions, as well as robustness to ordering misspecification. Motivated by these guarantees, we introduce SCOPE, a sparse-Cholesky pipeline that provides a scalable implementation of the relaxed formulation. Experiments on synthetic and real datasets demonstrate that SCOPE matches the MEC recovery accuracy of substantially slower baselines, while achieving significantly reduced runtime and scaling to 10k variables.


In-Context Positive-Unlabeled Learning

arXiv.org Machine Learning

Positive-unlabeled (PU) learning addresses binary classification when only a set of labeled positives is available alongside a pool of unlabeled samples drawn from a mixture of positives and negatives. Existing PU methods typically require dataset-specific training or iterative optimization, which limits their applicability when many tasks must be solved quickly or with little tuning. We introduce PUICL, a pretrained transformer that solves PU classification entirely through in-context learning. PUICL is pretrained on synthetic PU datasets generated from randomly instantiated structural causal models, exposing it to a wide range of feature-label relationships and class-prior configurations. At inference time, PUICL receives the labeled positives and the unlabeled samples as a single input and returns class probabilities for the unlabeled rows in one forward pass, with no gradient updates or per-task fitting. On 20 semi-synthetic PU benchmarks derived from the UCI Machine Learning Repository, OpenML, and scikit-learn, PUICL outperforms four standard PU learning baselines in average AUC and accuracy, and is competitive on F1-score. These results show that the in-context learning paradigm extends naturally beyond fully supervised tabular prediction to the semi-supervised PU setting.


Variational Smoothing and Inference for SDEs from Sparse Data with Dynamic Neural Flows

arXiv.org Machine Learning

Stochastic differential equations (SDEs) provide a flexible framework for modeling temporal dynamics in partially observed systems. A central task is to calibrate such models from data, which requires inferring latent trajectories and parameters from sparse, noisy observations. Classical smoothing methods for this problem are often limited by path degeneracy and poor scalability. In this work, we developed a novel method based on characterization of the posterior SDE in terms of conditional backward-in-time score defined as the gradient of a function solving a Kolmogorov backward equation with multiplicative updates at observation times. We learn this conditional score using neural networks trained to satisfy both the governing PDE and the observation-induced jump conditions, thereby integrating continuous-time dynamics with discrete Bayesian updates. The resulting score induces a posterior SDE with the same diffusion coefficient but a modified drift, enabling efficient posterior trajectory sampling. We further derive a likelihood-based objective for learning the SDE parameters, yielding an evidence lower bound (ELBO) for joint state smoothing and parameter estimation. This leads to a variational EM-style procedure, where the neural conditional score is optimized to approximate the smoothing distribution, followed by a maximization step over the SDE parameters using samples from the induced posterior. Experiments on nonlinear systems demonstrate accurate and stable inference with a very few observations demonstrating significant improved scalability compared to classical MCMC methods.


Optimal Contextual Pricing under Agnostic Non-Lipschitz Demand

arXiv.org Machine Learning

We study contextual dynamic pricing with linear valuations and bounded-support agnostic noise, whose induced demand curve may be non-Lipschitz with arbitrary jumps and atoms. Such discontinuities break the cross-context interpolation arguments used by smooth-demand pricing algorithms, while the best previous method achieved only $\tilde O(T^{3/4})$ regret. We propose Conservative-Markdown Redirect-UCB Pricing, a polynomial-time algorithm that combines randomized parameter estimation, conservative residual-grid probing, and confidence-based one-step redirection. Our algorithm achieves $\tilde O(T^{2/3})$ optimal regret, matching the known lower bounds of Kleinberg and Leighton (2003) up to logarithmic factors and improving over the previous upper bound of Xu and Wang (2022). Under stochastic well-conditioned contexts, this closes the long-existing open regret gap in linear-valuation contextual pricing under agnostic non-Lipschitz noise distribution.


Spectral Lens: Activation and Gradient Spectra as Diagnostics of LLM Optimization

arXiv.org Machine Learning

Training loss and throughput can hide distinct internal representation in language-model training. To examine these hidden mechanics, we use spectral measurements as practical and operational diagnostics. Using a controlled family of decoder-only models adapted from the modded NanoGPT codebase, we introduce an empirical protocol based on activation covariance and per-sample gradient SVD spectra. This dual-view reveals three empirical findings and one mechanistic explanation. First, batch size acts as a latent determinant of representation geometry: runs that reach equal loss settle into systematically distinct activation spectra. Second, the activation covariance tail measured early in training reliably forecasts downstream token efficiency. Third, movement of the activation spectrum head (leading modes), together with gradient spectra, characterizes underlying learning-dynamics changes, separating learning-side architectural improvements from primarily execution-side gains. These predictive and diagnostic signals persist across the 12-, 36-, and 48-layer model tiers. Finally, a mechanistic model proves the main observations and explains how activation covariance spectra correlate with task-aligned feature learning.