Genre
Canonical Regularisation of Wide Feature-Learning Neural Networks
Whittle, George, Vaidhyanathan, Pranav, Ziomek, Juliusz, Ares, Natalia, Osborne, Maike A.
Wide neural networks in the feature-learning regime drive modern deep learning, and yet they remain far less studied than their kernel-regime counterparts. We consider a critical yet under-explored difference between these two regimes: the regulariser and prior implied by gradient flow training. This canonical regularisation property is well-studied in kernel regime networks -- of all the infinite global minima, gradient flow selects exactly the vanishing ridge solution -- and underpins the celebrated NN-GP correspondence, precisely allowing the modelling of noise during training. However, we prove ridge regularisation biases gradient flow in feature-learning regime networks, even in the infinitesimal limit of vanishing regularisation. Over training, ridge distorts the inductive bias of the network, with a particular damage done to pretrained networks where the implicit prior is informative. We resolve this by axiomatising the canonical regulariser as a regime-agnostic function-space energy and lift, which uniquely identifies ridge in the kernel regime, and crucially generalises to the feature-learning regime. By studying the Riemannian geometry of feature-learning networks, we derive geodesic ridge from our framework, generalising ridge to the feature-learning regime. Correspondingly, we prove the canonical function-space prior is a Riemannian Gibbs Process, generalising the more familiar Gaussian Process. As a practical contribution, we propose arc ridge as a minimax-robust, scalable surrogate to geodesic ridge, revealing a deep relationship between early stopping and canonical regularisation across learning regimes. Finally, we demonstrate the consequences of our theory empirically on both image processing and NLP transfer-learning problems.
Forward-Learned Discrete Diffusion: Learning how to noise to denoise faster
Bartosh, Grigory, Pandeva, Teodora, Karmalkar, Sushrut, Zazo, Javier
ABSTRACT Discrete diffusion models are a powerful class of generative models with strong performance across many domains. For efficiency, however, discrete diffusion typically parameterizes the generative (reverse) process with factorized distributions, which makes it difficult for the model to learn the target process in a small number of steps and necessitates a long, computationally expensive sampling procedure. To reduce the gap between the target and model distributions and enable few-step generation, we propose Forward-Learned Discrete Diffusion (FLDD), which introduces discrete diffusion with a learnable forward (noising) process. Rather than fixing a Markovian forward chain, we adopt a non-Markovian formulation with learnable marginal and posterior distributions. This allows the generative process to remain factorized while matching the target defined by the noising process. We train all parameters end-to-end under the standard variational objective. Experiments on various benchmarks show that, for a given number of sampling steps, our approach produces a higher quality samples than conventional discrete diffusion models using the same reverse parameterization. 1 INTRODUCTION In the last years, diffusion models have demonstrated strong performance across many continuous (Hoogeboom et al., 2024) and discrete (Lou et al.) domains . Recent work has shown that distillation approaches and advanced training techniques allow learning a few-step (Salimans et al., 2024), or sometimes even a single-step, generative (Xu et al., 2025) procedure in the continuous domain.
Geometric Dictionary Learning of Dynamical Systems with Optimal Transport
Germain, Thibaut, Chemlal, Sami, Flamary, Rรฉmi, Kostic, Vladimir R., Lounici, Karim
Learning dynamical systems through operator-theoretic representations provides a powerful framework for analyzing complex dynamics, as spectral quantities such as eigenvalues and invariant structures encode characteristic time scales and long-term behavior. However, dynamical operators are typically estimated independently for each system, preventing the discovery of shared structure across related dynamics. To address this limitation, we posit that related dynamical systems lie near a low-dimensional manifold in spectral operator space. Based on this hypothesis, we introduce DOODL (Dynamical OperatOr Dictionary Learning), a framework that learns a dictionary of characteristic spectral dynamics whose combinations approximate this manifold and yield compact, interpretable embeddings of individual systems. Beyond representation learning, DOODL enables fast and interpretable operator estimation from short and partially observed trajectories by constraining the estimation to the learned operator manifold. Experiments on metastable Langevin dynamics and turbulent plasma simulations demonstrate that DOODL scales to highly complex multiscale regimes while capturing characteristic spectral structure governing the dynamics rather than merely fitting trajectories, achieving errors one to two orders of magnitude lower than independent operator estimation methods in challenging low-data regimes.
Attention-based PCA
Maulen-Soto, Rodrigo, Boyer, Claire
We study attention mechanisms through the lens of a canonical unsupervised problem: principal component analysis (PCA). We show that, when trained on Gaussian data, both softmax and linear attention layers learn parameters that align with the principal eigenvectors of the covariance matrix, thereby establishing a direct and explicit connection with PCA. Our analysis covers both finite and infinite prompt regimes. In the infinite-prompt limit, we prove convergence to globally optimal solutions aligned with the leading spectral direction, while in the finiteprompt setting we show that the same behavior emerges up to sampling effects. We further extend the analysis to an in-context setting with spiked Wishart covariances, where attention successfully recovers the underlying signal direction. These results demonstrate that attention inherently performs PCA-like computations under unsupervised objectives, providing a theoretical foundation for its representation-learning capabilities.
Improved Baselines with Representation Autoencoders
Singh, Jaskirat, Zheng, Boyang, Wu, Zongze, Zhang, Richard, Shechtman, Eli, Xie, Saining
Representation Autoencoders (RAE) replace traditional VAE with pretrained vision encoders. In this paper, we systematically investigate several design choices and find three insights which simplify and improve RAE. First, we study a generalized formulation where the representation is defined as sum of the last k encoder layers rather than solely the final layer. This simple change greatly improves reconstruction without encoder finetuning or specialized data (e.g., text, faces). Second, we study the prevalent assumption that RAE (using pretrained representation as encoder) replaces representation alignment (REPA), which distills the same representation to intermediate layers instead. Through large-scale empirical analysis, we uncover a surprising finding: RAE and REPA exhibit complementary working mechanisms, allowing the same representation to be used as both encoder and target for intermediate diffusion layers. Finally, the original RAE struggles with classifier-free guidance (CFG) and requires training a second, weaker diffusion model for AutoGuidance (AG). We show that REPA itself can be viewed as x-prediction in RAE latent space. By simply re-parameterizing the output of the DiT model, it can provide guidance for "free". Overall, RAEv2 leads to more than 10x faster convergence over the original RAE, achieving a state-of-the-art gFID of 1.06 in just 80 epochs on ImageNet-256. On FDr^k, RAEv2 achieves a state-of-the-art 2.17 at just 80 epochs compared to the previous best 3.26 (800 epochs) without any post-training. This motivates EP_FID@k (epochs to reach unguided gFID <= k) as a measure of training efficiency. RAEv2 attains an EP_FID@2 of 35 epochs, versus 177 for the original RAE. We also validate our approach across diverse settings for text-to-image generation and navigation world models, showing consistent improvements. Code is available at https://raev2.github.io.
Computational aspects of the Volterra Signature
Hager, Paul P., Harang, Fabian N., Pelizzari, Luca, Tindel, Samy
The Volterra signature extends the classical path signature by incorporating general matrix-valued kernel into its iterated integral structure, yielding a flexible notion of memory for time series. Its components can be viewed as successive Picard iterates of linear controlled Volterra equations, making their exact computation of additional mathematical interest. However, the kernel introduces substantial algorithmic challenges. We provide a resolution by first decomposing the Chen-type convolution relation established in [13] into analytic and arithmetic parts, and then introducing several efficient algorithms: a general approximative scheme with quadratic complexity O(J2) in the number of time steps J, an FFT-based acceleration with complexity O(J logJ) for convolution kernels on uniform grids, and an exact recursion with complexity O(JR2) for kernels admitting a state-space representation of dimension R; retaining standard signature complexity in the path dimension and truncation level N. We further show that the number of factors in matrix-valued kernels of the form K(t,s) = P p kp(t s)Ap do not increase the asymptotic complexity in J and N. Finally, we derive a finite-difference predictor-corrector scheme for the associated Volterra signature kernel. All algorithms are implemented in the publicly available JAX-based package tensordev.
Generalized Functional ANOVA in Closed-Form: A Unified View of Additive Explanations
Ferrere, Baptiste, Bousquet, Nicolas, Gamboa, Fabrice, Loubes, Jean-Michel
The functional ANOVA, or Hoeffding decomposition, provides a principled framework for interpretability by decomposing a model prediction into main effects and higher-order interactions. For independent inputs, this classical decomposition is explicit. It is closely connected to SHAP values, generalized additive models, and orthogonal polynomial expansions, and therefore constitutes a fundamental tool for additive explainability. In the more general and realistic dependent setting, however, obtaining a tractable representation and estimating the decomposition from data remain challenging. In this work, we address this problem for continuous inputs. By combining Hilbert space methods with the generalized functional ANOVA, we build an explicit decomposition Riesz Basis allowing to easily compute the decomposition. Our formulation recovers the classical independent case and its associated orthogonal decomposition. Building on this representation, we propose a simple but mighty algorithm to estimate the decomposition from a data sample in a model-agnostic setting and we compare it empirically with several state-of-the-art explanation methods, demonstrating the power of the approach.
Adaptive Experimentation for Censored Survival Outcomes
Wang, Yuxin, Frauen, Dennis, Schweisthal, Jonas, Schrรถder, Maresa, Javurek, Emil, Feuerriegel, Stefan
Adaptive experimentation enables efficient estimation of causal effects, but existing methods are not designed for survival data with censoring, where event times are only partially observed (e.g., overall survival in cancer trials but with dropout). In this paper, we develop a novel framework for adaptive experimentation to estimate causal effects under right censoring. For this, we derive the semiparametric efficiency bound for the average survival effect curve as a function of the treatment allocation policy and thereby obtain a closed-form efficiency-optimal allocation policy. The policy generalizes classical Neyman allocation to survival settings by prioritizing patient strata where both event and censoring dynamics induce high uncertainty. Building on this, we propose the Adaptive Survival Estimator (ASE), an adaptive framework that learns the allocation policy and estimates the average survival effect curve sequentially. Our framework has three main benefits: (i) it accommodates arbitrary machine learning models for nuisance estimation; (ii) it is guided by a closed-form efficiency-optimal allocation policy; and (iii) it admits strong theoretical guarantees, including asymptotic normality via a martingale central limit theorem. We demonstrate our framework across various numerical experiments to show consistent efficiency gains over uniform randomization and censoring-agnostic baselines.
Flowing with Confidence
de Kruiff, Friso, Coscia, Dario, Welling, Max, Bekkers, Erik
Generative models can produce nonsensical text, unrealistic images, and unstable materials faster than simulation or human review can absorb; without per-sample confidence, trust erodes. Existing fixes run $k$ ensembles or stochastic trajectories at $k\times$ compute, measuring variability between models, not model confidence. We propose Flow Matching with Confidence (FMwC). FMwC injects input-dependent multiplicative noise at selected layers, propagates its variance through the network in closed form, and integrates it along the ODE trajectory, yielding a per-sample confidence score at standard sampling cost. The score supports multiple uses: filtering improves image quality and thermodynamic stability of crystals; editing rewinds trajectories to the points where the model commits and redirects them; and adaptive stepping concentrates ODE compute where the flow is ambiguous. We find that the confidence score correlates with the magnitude of the divergence of the learned velocity field, which gives us a window to understand the generative process, opening up surgical forms of guidance that target the moments that matter, new sampling algorithms and interpretability of generative models.
Continuous Diffusion Scales Competitively with Discrete Diffusion for Language
Yang, Zhihan, Guo, Wei, Zhang, Shuibai, Sahoo, Subham Sekhar, Chen, Yongxin, Vahdat, Arash, Mardani, Morteza, Thickstun, John
While diffusion has drawn considerable recent attention from the language modeling community, continuous diffusion has appeared less scalable than discrete approaches. To challenge this belief we revisit Plaid, a likelihood-based continuous diffusion language model (DLM), and construct RePlaid by aligning the architecture of Plaid with modern discrete DLMs. In this unified setting, we establish the first scaling law for continuous DLMs that rivals discrete DLMs: RePlaid exhibits a compute gap of only $20\times$ compared to autoregressive models, outperforms Duo while using fewer parameters, and outperforms MDLM in the over-trained regime. We benchmark RePlaid against recent continuous DLMs: on OpenWebText, RePlaid achieves a new state-of-the-art PPL bound of $22.1$ among continuous DLMs and superior generation quality. These results suggest that continuous diffusion, when trained via likelihood, is a highly competitive and scalable alternative to discrete DLMs. Moreover, we offer theoretical insights to understand the advantage of likelihood-based training. We show that optimizing the noise schedule to minimize the ELBO's variance naturally yields linear cross-entropy (information loss) over time. This evenly distributes denoising difficulty without any case-specific time reparameterization. In addition, we find that optimizing embeddings via likelihood creates structured geometries and drives the most significant likelihood gain.