Yihan He

Zihao Li, Yuan Cao, Cheng Gao et al.

Transformers have achieved great success in recent years. Interestingly, transformers have shown particularly strong in-context learning capability -- even without fine-tuning, they are still able to solve unseen tasks well purely based on task-specific prompts. In this paper, we study the capability of one-layer transformers in learning one of the most classical nonparametric estimators, the one-nearest neighbor prediction rule. Under a theoretical framework where the prompt contains a sequence of labeled training data and unlabeled test data, we show that, although the loss function is nonconvex when trained with gradient descent, a single softmax attention layer can successfully learn to behave like a one-nearest neighbor classifier. Our result gives a concrete example of how transformers can be trained to implement nonparametric machine learning algorithms, and sheds light on the role of softmax attention in transformer models.

Cheng Gao, Yuan Cao, Zihao Li et al.

Despite the widespread success of Transformers across various domains, their optimization guarantees in large-scale model settings are not well-understood. This paper rigorously analyzes the convergence properties of gradient flow in training Transformers with weight decay regularization. First, we construct the mean-field limit of large-scale Transformers, showing that as the model width and depth go to infinity, gradient flow converges to the Wasserstein gradient flow, which is represented by a partial differential equation. Then, we demonstrate that the gradient flow reaches a global minimum consistent with the PDE solution when the weight decay regularization parameter is sufficiently small. Our analysis is based on a series of novel mean-field techniques that adapt to Transformers. Compared with existing tools for deep networks (Lu et al., 2020) that demand homogeneity and global Lipschitz smoothness, we utilize a refined analysis assuming only $\textit{partial homogeneity}$ and $\textit{local Lipschitz smoothness}$. These new techniques may be of independent interest.

Yihan He, Yuan Cao, Hong-Yu Chen et al.

Transformers demonstrate significant advantages as the building block of modern LLMs. In this work, we study the capacities of Transformers in performing unsupervised learning. We show that multi-layered Transformers, given a sufficiently large set of pre-training instances, are able to learn the algorithms themselves and perform statistical estimation tasks given new instances. This learning paradigm is distinct from the in-context learning setup and is similar to the learning procedure of human brains where skills are learned through past experience. Theoretically, we prove that pre-trained Transformers can learn the spectral methods and use the classification of bi-class Gaussian mixture model as an example. Our proof is constructive using algorithmic design techniques. Our results are built upon the similarities of multi-layered Transformer architecture with the iterative recovery algorithms used in practice. Empirically, we verify the strong capacity of the multi-layered (pre-trained) Transformer on unsupervised learning through the lens of both the PCA and the Clustering tasks performed on the synthetic and real-world datasets.

Dennis Wu, Yihan He, Yuan Cao et al.

We give a comprehensive analysis of transformers as time series foundation models, focusing on their approximation and generalization capabilities. First, we demonstrate that there exist transformers that fit an autoregressive model on input univariate time series via gradient descent. We then analyze MOIRAI, a multivariate time series foundation model capable of handling an arbitrary number of covariates. We prove that it is capable of automatically fitting autoregressive models with an arbitrary number of covariates, offering insights into its design and empirical success. For generalization, we establish bounds for pretraining when the data satisfies Dobrushin's condition. Experiments support our theoretical findings, highlighting the efficacy of transformers as time series foundation models.