Rende, Riccardo
A distributional simplicity bias in the learning dynamics of transformers
Rende, Riccardo, Gerace, Federica, Laio, Alessandro, Goldt, Sebastian
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.
Are queries and keys always relevant? A case study on Transformer wave functions
Rende, Riccardo, Viteritti, Luciano Loris
The dot product attention mechanism, originally designed for natural language processing (NLP) tasks, is a cornerstone of modern Transformers. It adeptly captures semantic relationships between word pairs in sentences by computing a similarity overlap between queries and keys. In this work, we explore the suitability of Transformers, focusing on their attention mechanisms, in the specific domain of the parametrization of variational wave functions to approximate ground states of quantum many-body spin Hamiltonians. Specifically, we perform numerical simulations on the two-dimensional $J_1$-$J_2$ Heisenberg model, a common benchmark in the field of quantum-many body systems on lattice. By comparing the performance of standard attention mechanisms with a simplified version that excludes queries and keys, relying solely on positions, we achieve competitive results while reducing computational cost and parameter usage. Furthermore, through the analysis of the attention maps generated by standard attention mechanisms, we show that the attention weights become effectively input-independent at the end of the optimization. We support the numerical results with analytical calculations, providing physical insights of why queries and keys should be, in principle, omitted from the attention mechanism when studying large systems. Interestingly, the same arguments can be extended to the NLP domain, in the limit of long input sentences.
What does self-attention learn from Masked Language Modelling?
Rende, Riccardo, Gerace, Federica, Laio, Alessandro, Goldt, Sebastian
Transformers are neural networks which revolutionised natural language processing and machine learning. They process sequences of inputs, like words, using a mechanism called self-attention, which is trained via masked language modelling (MLM). In MLM, a word is randomly masked in an input sequence, and the network is trained to predict the missing word. Despite the practical success of transformers, it remains unclear what type of data distribution self-attention can learn efficiently. Here, we show analytically that if one decouples the treatment of word positions and embeddings, a single layer of self-attention learns the conditionals of a generalised Potts model with interactions between sites and Potts colours. Moreover, we show that training this neural network is exactly equivalent to solving the inverse Potts problem by the so-called pseudo-likelihood method, well known in statistical physics. Using this mapping, we compute the generalisation error of self-attention in a model scenario analytically using the replica method.