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A Random Matrix Theory of Masked Self-Supervised Regression

Zurich, Arie Wortsman, Gerace, Federica, Loureiro, Bruno, Lu, Yue M.

arXiv.org Machine Learning

Self-supervised learning (SSL) -- a training paradigm in which models learn useful representations from unlabeled data by exploiting the data itself as a source of supervision -- has emerged as a foundational component of the recent success of transformer architectures. By avoiding the need for manual annotations, SSL retains many of the benefits traditionally associated with supervised learning while avoiding reliance on labeled data. Consequently, SSL is widely adopted as a pretraining paradigm for learning general-purpose representations that substantially accelerate the optimization of downstream tasks, especially in data-scarce settings. A canonical example of a self-supervised learning task is masked language modeling (MLM), in which a neural network is trained to predict masked tokens in text using the remaining tokens as contextual information (Devlin et al., 2019a; Howard and Ruder, 2018; Radford et al., 2018; Brown et al., 2020; OpenAI, 2024). For example, given the sentence "The capital of France is Paris", a typical MLM task would be to teach the model to infer that we are speaking about the capital of a country from the context "France" and "Paris" from the masked sentence "The [MASK] of France is Paris".


High-Dimensional Partial Least Squares: Spectral Analysis and Fundamental Limitations

Léger, Victor, Chatelain, Florent

arXiv.org Machine Learning

Partial Least Squares (PLS) is a widely used method for data integration, designed to extract latent components shared across paired high-dimensional datasets. Despite decades of practical success, a precise theoretical understanding of its behavior in high-dimensional regimes remains limited. In this paper, we study a data integration model in which two high-dimensional data matrices share a low-rank common latent structure while also containing individual-specific components. We analyze the singular vectors of the associated cross-covariance matrix using tools from random matrix theory and derive asymptotic characterizations of the alignment between estimated and true latent directions. These results provide a quantitative explanation of the reconstruction performance of the PLS variant based on Singular Value Decomposition (PLS-SVD) and identify regimes where the method exhibits counter-intuitive or limiting behavior. Building on this analysis, we compare PLS-SVD with principal component analysis applied separately to each dataset and show its asymptotic superiority in detecting the common latent subspace. Overall, our results offer a comprehensive theoretical understanding of high-dimensional PLS-SVD, clarifying both its advantages and fundamental limitations.


Source-Optimal Training is Transfer-Suboptimal

Hedges, C. Evans

arXiv.org Machine Learning

We prove a fundamental misalignment in transfer learning: the source regularization that minimizes source risk almost never coincides with the regularization maximizing transfer benefit. Through sharp phase boundaries for L2-SP ridge regression, we characterize the transfer-optimal source penalty $τ_0^*$ and show it diverges predictably from task-optimal values, requiring stronger regularization in high-SNR regimes and weaker regularization in low-SNR regimes. Additionally, in isotropic settings the decision to transfer is remarkably independent of target sample size and noise, depending only on task alignment and source characteristics. CIFAR-10 and MNIST experiments confirm this counterintuitive pattern persists in non-linear networks.


$α$-LoRA: Effective Fine-Tuning via Base Model Rescaling

Firdoussi, Aymane El, Chayti, El Mahdi, Seddik, Mohamed El Amine, Jaggi, Martin

arXiv.org Machine Learning

Fine-tuning has proven to be highly effective in adapting pre-trained models to perform better on new desired tasks with minimal data samples. Among the most widely used approaches are reparameterization methods, which update a target module by augmenting its frozen weight matrix with an additional trainable weight matrix. The most prominent example is Low Rank Adaption (LoRA), which gained significant attention in recent years. In this paper, we introduce a new class of reparameterization methods for transfer learning, designed to enhance the generalization ability of fine-tuned models. We establish the effectiveness of our approach in a high-dimensional binary classification setting using tools from Random Matrix Theory, and further validate our theoretical findings through more realistic experiments, such as fine-tuning LLMs.




Pretrain-Test Task Alignment Governs Generalization in In-Context Learning

Letey, Mary I., Zavatone-Veth, Jacob A., Lu, Yue M., Pehlevan, Cengiz

arXiv.org Machine Learning

In-context learning (ICL) is a central capability of Transformer models, but the structures in data that enable its emergence and govern its robustness remain poorly understood. In this work, we study how the structure of pretraining tasks governs generalization in ICL. Using a solvable model for ICL of linear regression by linear attention, we derive an exact expression for ICL generalization error in high dimensions under arbitrary pretraining-testing task covariance mismatch. This leads to a new alignment measure that quantifies how much information about the pretraining task distribution is useful for inference at test time. We show that this measure directly predicts ICL performance not only in the solvable model but also in nonlinear Transformers. Our analysis further reveals a tradeoff between specialization and generalization in ICL: depending on task distribution alignment, increasing pretraining task diversity can either improve or harm test performance. Together, these results identify train-test task alignment as a key determinant of generalization in ICL.


A Random Matrix Analysis of In-context Memorization for Nonlinear Attention

Liao, Zhenyu, Liu, Jiaqing, Hou, TianQi, Zou, Difan, Ling, Zenan

arXiv.org Machine Learning

Attention mechanisms have revolutionized machine learning (ML) by enabling efficient modeling of global dependencies across inputs. Their inherently parallelizable structures allow for efficient scaling with the exponentially increasing size of both pretrained data and model parameters. Yet, despite their central role as the computational backbone of modern large language models (LLMs), the theoretical understanding of Attentions, especially in the nonlinear setting, remains limited. In this paper, we provide a precise characterization of the \emph{in-context memorization error} of \emph{nonlinear Attention}, in the high-dimensional proportional regime where the number of input tokens $n$ and their embedding dimension $p$ are both large and comparable. Leveraging recent advances in the theory of large kernel random matrices, we show that nonlinear Attention typically incurs higher memorization error than linear ridge regression on random inputs. However, this gap vanishes, and can even be reversed, when the input exhibits statistical structure, particularly when the Attention weights align with the input signal direction. Our results reveal how nonlinearity and input structure interact with each other to govern the memorization performance of nonlinear Attention. The theoretical insights are supported by numerical experiments.


Random Matrix Theory for Deep Learning: Beyond Eigenvalues of Linear Models

Liao, Zhenyu, Mahoney, Michael W.

arXiv.org Machine Learning

Modern Machine Learning (ML) and Deep Neural Networks (DNNs) often operate on high-dimensional data and rely on overparameterized models, where classical low-dimensional intuitions break down. In particular, the proportional regime where the data dimension, sample size, and number of model parameters are all large and comparable, gives rise to novel and sometimes counterintuitive behaviors. This paper extends traditional Random Matrix Theory (RMT) beyond eigenvalue-based analysis of linear models to address the challenges posed by nonlinear ML models such as DNNs in this regime. We introduce the concept of High-dimensional Equivalent, which unifies and generalizes both Deterministic Equivalent and Linear Equivalent, to systematically address three technical challenges: high dimensionality, nonlinearity, and the need to analyze generic eigenspectral functionals. Leveraging this framework, we provide precise characterizations of the training and generalization performance of linear models, nonlinear shallow networks, and deep networks. Our results capture rich phenomena, including scaling laws, double descent, and nonlinear learning dynamics, offering a unified perspective on the theoretical understanding of deep learning in high dimensions.