In this paper, we make the case that a scientific theory of deep learning is emerging. By this we mean a theory which characterizes important properties and statistics of the training process, hidden representations, final weights, and performance of neural networks. We pull together major strands of ongoing research in deep learning theory and identify five growing bodies of work that point toward such a theory: (a) solvable idealized settings that provide intuition for learning dynamics in realistic systems; (b) tractable limits that reveal insights into fundamental learning phenomena; (c) simple mathematical laws that capture important macroscopic observables; (d) theories of hyperparameters that disentangle them from the rest of the training process, leaving simpler systems behind; and (e) universal behaviors shared across systems and settings which clarify which phenomena call for explanation. Taken together, these bodies of work share certain broad traits: they are concerned with the dynamics of the training process; they primarily seek to describe coarse aggregate statistics; and they emphasize falsifiable quantitative predictions. We argue that the emerging theory is best thought of as a mechanics of the learning process, and suggest the name learning mechanics. We discuss the relationship between this mechanics perspective and other approaches for building a theory of deep learning, including the statistical and information-theoretic perspectives. In particular, we anticipate a symbiotic relationship between learning mechanics and mechanistic interpretability. We also review and address common arguments that fundamental theory will not be possible or is not important. We conclude with a portrait of important open directions in learning mechanics and advice for beginners. We host further introductory materials, perspectives, and open questions at learningmechanics.pub.

Deep learning (DL) has become a cornerstone of modern machine learning (ML) praxis. We introduce the R package mlr3torch, which is an extensible DL framework for the mlr3 ecosystem. It is built upon the torch package, and simplifies the definition, training, and evaluation of neural networks for both tabular data and generic tensors (e.g., images) for classification and regression. The package implements predefined architectures, and torch models can easily be converted to mlr3 learners. It also allows users to define neural networks as graphs. This representation is based on the graph language defined in mlr3pipelines and allows users to define the entire modeling workflow, including preprocessing, data augmentation, and network architecture, in a single graph. Through its integration into the mlr3 ecosystem, the package allows for convenient resampling, benchmarking, preprocessing, and more. We explain the package's design and features and show how to customize and extend it to new problems. Furthermore, we demonstrate the package's capabilities using three use cases, namely hyperparameter tuning, fine-tuning, and defining architectures for multimodal data. Finally, we present some runtime benchmarks.

We study learning to learn for regression problems through the lens of hyperparameter tuning. We propose the Langevin Gradient Descent Algorithm (LGD), which approximates the mean of the posterior distribution defined by the loss function and regularizer of a convex regression task. We prove the existence of an optimal hyperparameter configuration for which the LGD algorithm achieves the Bayes' optimal solution for squared loss. Subsequently, we study generalization guarantees on meta-learning optimal hyperparameters for the LGD algorithm from a given set of tasks in the data-driven setting. For a number of parameters $d$ and hyperparameter dimension $h$, we show a pseudo-dimension bound of $O(dh)$, upto logarithmic terms under mild assumptions on LGD. This matches the dimensional dependence of the bounds obtained in prior work for the elastic net, which only allows for $h=2$ hyperparameters, and extends their bounds to regression on convex loss. Finally, we show empirical evidence of the success of LGD and the meta-learning procedure for few-shot learning on linear regression using a few synthetically created datasets.

Spiking reservoir computing provides an energy-efficient approach to temporal processing, but reliably tuning reservoirs to operate at the edge-of-chaos is challenging due to experimental uncertainty. This work bridges abstract notions of criticality and practical stability by introducing and exploiting the robustness interval, an operational measure of the hyperparameter range over which a reservoir maintains performance above task-dependent thresholds. Through systematic evaluations of Leaky Integrate-and-Fire (LIF) architectures on both static (MNIST) and temporal (synthetic Ball Trajectories) tasks, we identify consistent monotonic trends in the robustness interval across a broad spectrum of network configurations: the robustness-interval width decreases with presynaptic connection density $β$ (i.e., directly with sparsity) and directly with the firing threshold $θ$. We further identify specific $(β, θ)$ pairs that preserve the analytical mean-field critical point $w_{\text{crit}}$, revealing iso-performance manifolds in the hyperparameter space. Control experiments on Erdős-Rényi graphs show the phenomena persist beyond small-world topologies. Finally, our results show that $w_{\text{crit}}$ consistently falls within empirical high-performance regions, validating $w_{\text{crit}}$ as a robust starting coordinate for parameter search and fine-tuning. To ensure reproducibility, the full Python code is publicly available.

Gaussian process ($GP$) regression is a widely used non-parametric modeling tool, but its cubic complexity in the training size limits its use on massive data sets. A practical remedy is to predict using only the nearest neighbours of each test point, as in Nearest Neighbour Gaussian Process ($NNGP$) regression for geospatial problems and the related scalable $GPnn$ method for more general machine-learning applications. Despite their strong empirical performance, the large-$n$ theory of $NNGP/GPnn$ remains incomplete. We develop a theoretical framework for $NNGP$ and $GPnn$ regression. Under mild regularity assumptions, we derive almost sure pointwise limits for three key predictive criteria: mean squared error ($MSE$), calibration coefficient ($CAL$), and negative log-likelihood ($NLL$). We then study the $L_2$-risk, prove universal consistency, and show that the risk attains Stone's minimax rate $n^{-2α/(2p+d)}$, where $α$ and $p$ capture regularity of the regression problem. We also prove uniform convergence of $MSE$ over compact hyper-parameter sets and show that its derivatives with respect to lengthscale, kernel scale, and noise variance vanish asymptotically, with explicit rates. This explains the observed robustness of $GPnn$ to hyper-parameter tuning. These results provide a rigorous statistical foundation for $NNGP/GPnn$ as a highly scalable and principled alternative to full $GP$ models.

In High Energy Physics, detailed calorimeter simulations and reconstructions are essential for accurate energy measurements and particle identification, but their high granularity makes them computationally expensive. Developing data-driven techniques capable of recovering fine-grained information from coarser readouts, a task known as calorimeter superresolution, offers a promising way to reduce both computational and hardware costs while preserving detector performance. This thesis investigates whether a generative model originally designed for fast simulation can be effectively applied to calorimeter superresolution. Specifically, the model proposed in arXiv:2308.11700 is re-implemented independently and trained on the CaloChallenge 2022 dataset based on the Geant4 Par04 calorimeter geometry. Finally, the model's performance is assessed through a rigorous statistical evaluation framework, following the methodology introduced in arXiv:2409.16336, to quantitatively test its ability to reproduce the reference distributions.

Population-based learning paradigms, including evolutionary strategies, Population-Based Training (PBT), and recent model-merging methods, combine fast within-model optimisation with slower population-level adaptation. Despite their empirical success, a general mathematical description of the resulting collective training dynamics remains incomplete. We introduce a theoretical framework for neural network training based on two-time-scale population dynamics. We model a population of neural networks as an interacting agent system in which network parameters evolve through fast noisy gradient updates of SGD/Langevin type, while hyperparameters evolve through slower selection--mutation dynamics. We prove the large-population limit for the joint distribution of parameters and hyperparameters and, under strong time-scale separation, derive a selection--mutation equation for the hyperparameter density. For each fixed hyperparameter, the fast parameter dynamics relaxes to a Boltzmann--Gibbs measure, inducing an effective fitness for the slow evolution. The averaged dynamics connects population-based learning with bilevel optimisation and classical replicator--mutator models, yields conditions under which the population mean moves toward the fittest hyperparameter, and clarifies the role of noise and diversity in balancing optimisation and exploration. Numerical experiments illustrate both the large-population regime and the reduced two-time-scale dynamics, and indicate that access to the effective fitness, either in closed form or through population-level estimation, can improve population-level updates.

Uncertainty quantification for image data is dominated by complex deep learning methods, yet the field lacks an interpretable, mathematically grounded baseline. We propose Bayesian scattering to fill this gap, serving as a first-step baseline akin to the role of Bayesian linear regression for tabular data. Our method couples the wavelet scattering transform-a deep, non-learned feature extractor-with a simple probabilistic head. Because scattering features are derived from geometric principles rather than learned, they avoid overfitting the training distribution. This helps provide sensible uncertainty estimates even under significant distribution shifts. We validate this on diverse tasks, including medical imaging under institution shift, wealth mapping under country-to-country shift, and Bayesian optimization of molecular properties. Our results suggest that Bayesian scattering is a solid baseline for complex uncertainty quantification methods.

Supervised machine learning describes the practice of fitting a parameterized model to labeled input-output data. Supervised machine learning methods have demonstrated promise in learning efficient surrogate models that can (partially) replace expensive high-fidelity models, making many-query analyses, such as optimization, uncertainty quantification, and inference, tractable. However, when training data must be obtained through the evaluation of an expensive model or experiment, the amount of training data that can be obtained is often limited, which can make learned surrogate models unreliable. However, in many engineering and scientific settings, cheaper \emph{low-fidelity} models may be available, for example arising from simplified physics modeling or coarse grids. These models may be used to generate additional low-fidelity training data. The goal of \emph{multifidelity} machine learning is to use both high- and low-fidelity training data to learn a surrogate model which is cheaper to evaluate than the high-fidelity model, but more accurate than any available low-fidelity model. This work proposes a new multifidelity training approach for Gaussian process regression which uses low-fidelity data to define additional features that augment the input space of the learned model. The approach unites desirable properties from two separate classes of existing multifidelity GPR approaches, cokriging and autoregressive estimators. Numerical experiments on several test problems demonstrate both increased predictive accuracy and reduced computational cost relative to the state of the art.

Finite-context models (FCMs) are widely used for compressing symbolic sequences such as DNA, where predictive performance depends critically on the context length k and smoothing parameter α. In practice, these hyperparameters are typically selected through exhaustive search, which is computationally expensive and scales poorly with model complexity. This paper proposes a statistically grounded two-step sequential approach for efficient hyperparameter selection in FCMs. The key idea is to decompose the joint optimization problem into two independent stages. First, the context length k is estimated using categorical serial dependence measures, including Cramér's ν, Cohen's \k{appa} and partial mutual information (pami). Second, the smoothing parameter α is estimated via maximum likelihood conditional on the selected context length k. Simulation experiments were conducted on synthetic symbolic sequences generated by FCMs across multiple (k, α) configurations, considering a four-letter alphabet and different sample sizes. Results show that the dependence measures are substantially more sensitive to variations in k than in α, supporting the sequential estimation strategy. As expected, the accuracy of the hyperparameter estimation improves with increasing sample size. Furthermore, the proposed method achieves compression performance comparable to exhaustive grid search in terms of average bitrate (bits per symbol), while substantially reducing computational cost. Overall, the results on simulated data show that the proposed sequential approach is a practical and computationally efficient alternative to exhaustive hyperparameter tuning in FCMs.