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Sebastian Goldt

Publications and source records attributed to Sebastian Goldt.

At least 19 recordsLinked to original sources

Phase structure of the Random Language Model

Context-free grammars are minimal models of hierarchical structure in human language, generating structured text from recursive production rules. The Random Language Model (RLM) [De Giuli, PRL 2019], an ensemble of such grammars with random rule weights, exhibits a cross-over from gibberish-like output to structured text as a function of a "temperature", but the location and nature of this transition remained unclear. Here, we show that the RLM exhibits a hierarchy of phase transitions in a double-scaling limit where the grammar temperature $\tilde{\epsilon}_d \to 0$ and the number of hidden symbols $N \to \infty$ at fixed $x = \tilde{\epsilon}_d \log N$. By identifying the relation between RLM and the Random Energy Model, we identify a series of transitions where correlations between symbols emerge, single-symbol marginals become non-uniform, and rule use freezes in a glassy phase. A semi-annealed approximation yields nontrivial scaling laws for rule usage, entropy, and energy, consistent with Heaps' law and context-length scaling observed in large language models.

cond-mat.dis-nn

Local Coverage Governs Memorization in Diffusion Models

Memorization in diffusion models is often treated as a global property of the model or dataset. In practice, however, a single diffusion model can simultaneously generate both memorized and novel samples. Which training samples are most likely to be memorized? In this work, we show that memorization is governed by \emph{local data coverage}. Leveraging the connection between diffusion models and kernel density estimation (KDE), we derive a theoretical criterion that predicts whether a point is memorized based on the density of training data in its neighborhood and the size of the training dataset. In the high-dimensional limit, this leads to a sharp, local transition: regions of low coverage are dominated by isolated training samples, which are memorized, while dense regions support interpolation and generalization. We validate these predictions empirically, showing that memorization increases with local sparsity and that diffusion models exhibit a coexistence of memorized and novel samples within the same model. Extending this framework to multi-class settings, we further show that classes with higher intra-class sparsity (and thus lower local coverage) are more strongly memorized. Our results provide a local view of memorization in diffusion models, explaining when and where memorization occurs in terms of data geometry.

cond-mat.dis-nn

Memorisation, convergence and generalisation in generative models

Generative neural networks learn how to produce highly realistic images from a large, but finite number of examples - or do they simply memorise their training set? To settle this question, Kadkhodaie, Guth, Simoncelli and Mallat (ICLR '24) trained diffusion models independently on disjoint subsets of a dataset and showed that they converge to nearly the same density when the number of training images is large enough. This result raises two basic questions: how much data do you need for convergence, and what does convergence capture about learning the data distribution? Here, we address these questions by providing an exact analytical characterisation of the transition from memorisation to generalisation in linear generative models. We find that these models memorise at small load, while convergence emerges continuously when the number of samples is linear in the input dimension. Strikingly, we find that convergence is insensitive to recovery of the principal latent factors of the data, which are recovered in a sharp transition. After extending our approach to data with power-law spectra, we find the same distinction between convergence and latent recovery in our experiments with convolutional denoisers and in the data of Kadkhodaie et al. We thus show that generalisation in generative models decomposes into at least two distinct objectives: matching the bulk of the data distribution and recovering the principal latent factors. These objectives correspond to two different distances between true and learnt data distribution, and only the first one is captured by convergence.

stat.ML

A Fourier perspective on the learning dynamics of neural networks: from sample complexities to mechanistic insights

Neural networks trained with gradient-based methods exhibit a strong simplicity bias: they learn simpler statistical features of their data before moving to more complex features. Previous analyses of this phenomenon have largely focused on settings with (quasi-)isotropic inputs. In this work, we study the simplicity bias from a Fourier perspective, which allows us to include two key features of natural images in the analysis: approximate translation-invariance and power-law spectra. We first show experimentally that simple neural networks trained on image classification tasks first rely on amplitude information -- related to pair-wise correlations between pixels -- before exploiting phase information, which encodes edges and higher-order correlations. In view of this, we introduce a synthetic data model for translation-invariant inputs that allows precise control over amplitudes and phases while remaining tractable. We rigorously establish that for isotropic and high-dimensional inputs, classification based on phase information alone is a genuinely hard task: online stochastic gradient descent (SGD) cannot distinguish the structured inputs from noise within $n \ll N^3$ steps, but needs at least $n \gg N^3 \log^2{N}$ steps. In contrast, we show both experimentally and theoretically that power-law spectra can dramatically accelerate the speed of learning phase information, even if the spectra do not help with classification. Simulations with two-layer networks trained on textures and with deep convolutional networks on ImageNet and CIFAR100 confirm this non-trivial interaction between amplitudes and phases, providing mechanistic insights into how deep neural networks can learn natural image distributions efficiently.

stat.ML

Factual recall in linear associative memories: sharp asymptotics and mechanistic insights

Large language models demonstrate remarkable ability in factual recall, yet the fundamental limits of storing and retrieving input--output associations with neural networks remain unclear. We study these limits in a minimal setting: a linear associative memory that maps $p$ input embeddings in $\mathbb{R}^d$ to their corresponding~$d$-dimensional targets via a single layer, requiring each mapped input to be well separated from all other targets. Unlike in supervised classification, this strict separation induces~$p$ constraints per association and produces strong correlations between constraints that make a direct characterisation of the storage capacity difficult. Here, we provide a precise characterisation of this capacity in the following way. We first introduce a decoupled model in which each input has its own independent set of competing outputs, and provide numerical and analytical evidence that this decoupled model is equivalent to the original model in terms of storage capacity, spectra of the learnt weights, and storage mechanism. Using tools from statistical physics, we show that the decoupled model can store up to $p_c \log p_c / d^2 = 1 / 2$ associations, and generalise the computation of $p_c$ to linear two-layer architectures. Our analysis also gives mechanistic insight into how the optimal solution improves over a na\"ive Hebbian learning rule: rather than boosting input-output alignments with broad fluctuations, the optimal solution raises the correct scores just above the extreme-value threshold set by the competing outputs. These findings give a sharp statistical-physics characterisation of factual storage in linear networks and provide a baseline for understanding the memory capacity of more realistic neural architectures.

stat.ML

A theory of learning data statistics in diffusion models, from easy to hard

While diffusion models have emerged as a powerful class of generative models, their learning dynamics remain poorly understood. We address this issue first by empirically showing that standard diffusion models trained on natural images exhibit a distributional simplicity bias, learning simple, pair-wise input statistics before specializing to higher-order correlations. We reproduce this behaviour in simple denoisers trained on a minimal data model, the mixed cumulant model, where we precisely control both pair-wise and higher-order correlations of the inputs. We identify a scalar invariant of the model that governs the sample complexity of learning pair-wise and higher-order correlations that we call the diffusion information exponent, in analogy to related invariants in different learning paradigms. Using this invariant, we prove that the denoiser learns simple, pair-wise statistics of the inputs at linear sample complexity, while more complex higher-order statistics, such as the fourth cumulant, require at least cubic sample complexity. We also prove that the sample complexity of learning the fourth cumulant is linear if pair-wise and higher-order statistics share a correlated latent structure. Our work describes a key mechanism for how diffusion models can learn distributions of increasing complexity.

stat.ML

Two failure modes of deep transformers and how to avoid them: a unified theory of signal propagation at initialisation

Finding the right initialisation for neural networks is crucial to ensure smooth training and good performance. In transformers, the wrong initialisation can lead to one of two failure modes of self-attention layers: rank collapse, where all tokens collapse into similar representations, and entropy collapse, where highly concentrated attention scores lead to training instability. While previous work has studied different scaling regimes for transformers, an asymptotically exact, down-to-the constant prescription for how to initialise transformers has so far been lacking. Here, we provide an analytical theory of signal propagation through deep transformers with self-attention, layer normalisation, skip connections and MLP. Our theory yields a simple algorithm to compute trainability diagrams that identify the correct choice of initialisation hyper-parameters for a given architecture. We overcome the key challenge, an exact treatment of the self-attention layer, by establishing a formal parallel with the Random Energy Model from statistical physics. We also analyse gradients in the backward path and determine the regime where gradients vanish at initialisation. We demonstrate the versatility of our framework through three case studies. Our theoretical framework gives a unified perspective on the two failure modes of self-attention and gives quantitative predictions on the scale of both weights and residual connections that guarantee smooth training.

stat.ML

Generalization Dynamics of Linear Diffusion Models

Diffusion models are powerful generative models that produce high-quality samples from complex data. While their infinite-data behavior is well understood, their generalization with finite data remains less clear. Classical learning theory predicts that generalization occurs at a sample complexity that is exponential in the dimension, far exceeding practical needs. We address this gap by analyzing diffusion models through the lens of data covariance spectra, which often follow power-law decays, reflecting the hierarchical structure of real data. To understand whether such a hierarchical structure can benefit learning in diffusion models, we develop a theoretical framework based on linear neural networks, congruent with a Gaussian hypothesis on the data. We quantify how the hierarchical organization of variance in the data and regularization impacts generalization. We find two regimes: When $N d$, we find that the sampling distributions of linear diffusion models approach their optimum (measured by the Kullback-Leibler divergence) linearly with $d/N$, independent of the specifics of the data distribution. Our work clarifies how sample complexity governs generalization in a simple model of diffusion-based generative models.

stat.ML

Feature learning from non-Gaussian inputs: the case of Independent Component Analysis in high dimensions

Deep neural networks learn structured features from complex, non-Gaussian inputs, but the mechanisms behind this process remain poorly understood. Our work is motivated by the observation that the first-layer filters learnt by deep convolutional neural networks from natural images resemble those learnt by independent component analysis (ICA), a simple unsupervised method that seeks the most non-Gaussian projections of its inputs. This similarity suggests that ICA provides a simple, yet principled model for studying feature learning. Here, we leverage this connection to investigate the interplay between data structure and optimisation in feature learning for the most popular ICA algorithm, FastICA, and stochastic gradient descent (SGD), which is used to train deep networks. We rigorously establish that FastICA requires at least $n\gtrsim d^4$ samples to recover a single non-Gaussian direction from $d$-dimensional inputs on a simple synthetic data model. We show that vanilla online SGD outperforms FastICA, and prove that the optimal sample complexity $n \gtrsim d^2$ can be reached by smoothing the loss, albeit in a data-dependent way. We finally demonstrate the existence of a search phase for FastICA on ImageNet, and discuss how the strong non-Gaussianity of said images compensates for the poor sample complexity of FastICA.

stat.ML

On How Iterative Magnitude Pruning Discovers Local Receptive Fields in Fully Connected Neural Networks

Since its use in the Lottery Ticket Hypothesis, iterative magnitude pruning (IMP) has become a popular method for extracting sparse subnetworks that can be trained to high performance. Despite its success, the mechanism that drives the success of IMP remains unclear. One possibility is that IMP is capable of extracting subnetworks with good inductive biases that facilitate performance. Supporting this idea, recent work showed that applying IMP to fully connected neural networks (FCNs) leads to the emergence of local receptive fields (RFs), a feature of mammalian visual cortex and convolutional neural networks that facilitates image processing. However, it remains unclear why IMP would uncover localized features in the first place. Inspired by results showing that training on synthetic images with highly non-Gaussian statistics (e.g., sharp edges) is sufficient to drive the emergence of local RFs in FCNs, we hypothesize that IMP iteratively increases the non-Gaussian statistics of FCN representations, creating a feedback loop that enhances localization. Here, we demonstrate first that non-Gaussian input statistics are indeed necessary for IMP to discover localized RFs. We then develop a new method for measuring the effect of individual weights on the statistics of the FCN representations ("cavity method"), which allows us to show that IMP systematically increases the non-Gaussianity of pre-activations, leading to the formation of localized RFs. Our work, which is the first to study the effect of IMP on the statistics of the representations of neural networks, sheds parsimonious light on one way in which IMP can drive the formation of strong inductive biases.

cs.LG

A distributional simplicity bias in the learning dynamics of transformers

The remarkable capability of over-parameterised neural networks to generalise effectively has been explained by invoking a ``simplicity bias'': neural networks prevent overfitting by initially learning simple classifiers before progressing to more complex, non-linear functions. While simplicity biases have been described theoretically and experimentally in feed-forward networks for supervised learning, the extent to which they also explain the remarkable success of transformers trained with self-supervised techniques remains unclear. In our study, we demonstrate that transformers, trained on natural language data, also display a simplicity bias. Specifically, they sequentially learn many-body interactions among input tokens, reaching a saturation point in the prediction error for low-degree interactions while continuing to learn high-degree interactions. To conduct this analysis, we develop a procedure to generate \textit{clones} of a given natural language data set, which rigorously capture the interactions between tokens up to a specified order. This approach opens up the possibilities of studying how interactions of different orders in the data affect learning, in natural language processing and beyond.

cs.CL

Sliding down the stairs: how correlated latent variables accelerate learning with neural networks

Neural networks extract features from data using stochastic gradient descent (SGD). In particular, higher-order input cumulants (HOCs) are crucial for their performance. However, extracting information from the $p$th cumulant of $d$-dimensional inputs is computationally hard: the number of samples required to recover a single direction from an order-$p$ tensor (tensor PCA) using online SGD grows as $d^{p-1}$, which is prohibitive for high-dimensional inputs. This result raises the question of how neural networks extract relevant directions from the HOCs of their inputs efficiently. Here, we show that correlations between latent variables along the directions encoded in different input cumulants speed up learning from higher-order correlations. We show this effect analytically by deriving nearly sharp thresholds for the number of samples required by a single neuron to weakly-recover these directions using online SGD from a random start in high dimensions. Our analytical results are confirmed in simulations of two-layer neural networks and unveil a new mechanism for hierarchical learning in neural networks.

stat.ML

Fine-tuning Neural Network Quantum States

Recent progress in the design and optimization of neural-network quantum states (NQSs) has made them an effective method to investigate ground-state properties of quantum many-body systems. In contrast to the standard approach of training a separate NQS from scratch at every point of the phase diagram, we demonstrate that the optimization of a NQS at a highly expressive point of the phase diagram (i.e., close to a phase transition) yields features that can be reused to accurately describe a wide region across the transition. We demonstrate the feasibility of our approach on different systems in one and two dimensions by initially pretraining a NQS at a given point of the phase diagram, followed by fine-tuning only the output layer for all other points. Notably, the computational cost of the fine-tuning step is very low compared to the pretraining stage. We argue that the reduced cost of this paradigm has significant potential to advance the exploration of strongly-correlated systems using NQS, mirroring the success of fine-tuning in machine learning and natural language processing.

cond-mat.dis-nn

Learning from higher-order statistics, efficiently: hypothesis tests, random features, and neural networks

Neural networks excel at discovering statistical patterns in high-dimensional data sets. In practice, higher-order cumulants, which quantify the non-Gaussian correlations between three or more variables, are particularly important for the performance of neural networks. But how efficient are neural networks at extracting features from higher-order cumulants? We study this question in the spiked cumulant model, where the statistician needs to recover a privileged direction or "spike" from the order-$p\ge 4$ cumulants of $d$-dimensional inputs. Existing literature established the presence of a wide statistical-to-computational gap in this problem. We deepen this line of work by finding an exact formula for the likelihood ratio norm which proves that statistical distinguishability requires $n\gtrsim d$ samples, while distinguishing the two distributions in polynomial time requires $n \gtrsim d^2$ samples for a wide class of algorithms, i.e. those covered by the low-degree conjecture. Numerical experiments show that neural networks do indeed learn to distinguish the two distributions with quadratic sample complexity, while "lazy" methods like random features are not better than random guessing in this regime. Our results show that neural networks extract information from higher-ordercorrelations in the spiked cumulant model efficiently, and reveal a large gap in the amount of data required by neural networks and random features to learn from higher-order cumulants.

stat.ML

Transformer Wave Function for two dimensional frustrated magnets: emergence of a Spin-Liquid Phase in the Shastry-Sutherland Model

Understanding quantum magnetism in two-dimensional systems represents a lively branch in modern condensed-matter physics. In the presence of competing super-exchange couplings, magnetic order is frustrated and can be suppressed down to zero temperature. Still, capturing the correct nature of the exact ground state is a highly complicated task, since energy gaps in the spectrum may be very small and states with different physical properties may have competing energies. Here, we introduce a variational Ansatz for two-dimensional frustrated magnets by leveraging the power of representation learning. The key idea is to use a particular deep neural network with real-valued parameters, a so-called Transformer, to map physical spin configurations into a high-dimensional feature space. Within this abstract space, the determination of the ground-state properties is simplified and requires only a shallow output layer with complex-valued parameters. We illustrate the efficacy of this variational Ansatz by studying the ground-state phase diagram of the Shastry-Sutherland model, which captures the low-temperature behavior of SrCu$_2$(BO$_3$)$_2$ with its intriguing properties. With highly accurate numerical simulations, we provide strong evidence for the stabilization of a spin-liquid between the plaquette and antiferromagnetic phases. In addition, a direct calculation of the triplet excitation at the $\Gamma$ point provides compelling evidence for a gapless spin liquid. Our findings underscore the potential of Neural-Network Quantum States as a valuable tool for probing uncharted phases of matter, and open up new possibilities for establishing the properties of many-body systems.

cond-mat.str-el

A simple linear algebra identity to optimize Large-Scale Neural Network Quantum States

Neural-network architectures have been increasingly used to represent quantum many-body wave functions. These networks require a large number of variational parameters and are challenging to optimize using traditional methods, as gradient descent. Stochastic Reconfiguration (SR) has been effective with a limited number of parameters, but becomes impractical beyond a few thousand parameters. Here, we leverage a simple linear algebra identity to show that SR can be employed even in the deep learning scenario. We demonstrate the effectiveness of our method by optimizing a Deep Transformer architecture with $3 \times 10^5$ parameters, achieving state-of-the-art ground-state energy in the $J_1$-$J_2$ Heisenberg model at $J_2/J_1=0.5$ on the $10\times10$ square lattice, a challenging benchmark in highly-frustrated magnetism. This work marks a significant step forward in the scalability and efficiency of SR for Neural-Network Quantum States, making them a promising method to investigate unknown quantum phases of matter, where other methods struggle.

cond-mat.str-el

Quantifying lottery tickets under label noise: accuracy, calibration, and complexity

Pruning deep neural networks is a widely used strategy to alleviate the computational burden in machine learning. Overwhelming empirical evidence suggests that pruned models retain very high accuracy even with a tiny fraction of parameters. However, relatively little work has gone into characterising the small pruned networks obtained, beyond a measure of their accuracy. In this paper, we use the sparse double descent approach to identify univocally and characterise pruned models associated with classification tasks. We observe empirically that, for a given task, iterative magnitude pruning (IMP) tends to converge to networks of comparable sizes even when starting from full networks with sizes ranging over orders of magnitude. We analyse the best pruned models in a controlled experimental setup and show that their number of parameters reflects task difficulty and that they are much better than full networks at capturing the true conditional probability distribution of the labels. On real data, we similarly observe that pruned models are less prone to overconfident predictions. Our results suggest that pruned models obtained via IMP not only have advantageous computational properties but also provide a better representation of uncertainty in learning.

cs.LG

The RL Perceptron: Generalisation Dynamics of Policy Learning in High Dimensions

Reinforcement learning (RL) algorithms have proven transformative in a range of domains. To tackle real-world domains, these systems often use neural networks to learn policies directly from pixels or other high-dimensional sensory input. By contrast, much theory of RL has focused on discrete state spaces or worst-case analysis, and fundamental questions remain about the dynamics of policy learning in high-dimensional settings. Here, we propose a solvable high-dimensional model of RL that can capture a variety of learning protocols, and derive its typical dynamics as a set of closed-form ordinary differential equations (ODEs). We derive optimal schedules for the learning rates and task difficulty - analogous to annealing schemes and curricula during training in RL - and show that the model exhibits rich behaviour, including delayed learning under sparse rewards; a variety of learning regimes depending on reward baselines; and a speed-accuracy trade-off driven by reward stringency. Experiments on variants of the Procgen game "Bossfight" and Arcade Learning Environment game "Pong" also show such a speed-accuracy trade-off in practice. Together, these results take a step towards closing the gap between theory and practice in high-dimensional RL.

cs.LG