Implicit Bias of Next-Token Prediction

Next-token prediction (NTP), the go-to training paradigm in training large language models, involves predicting the next token in a sequence. Departing from traditional one-hot classification, in NTP, multiple tokens with varying frequencies follow each given context. This work frames NTP training as cross-entropy minimization over distinct contexts, each associated with a sparse empirical probability vector across a finite vocabulary. It then addresses the following question: do gradient-based optimizers exhibit a bias towards solutions with specific structure as the NTP training loss reaches its lower bound (entropy)? Specifically, for linear NTP models trained using gradient descent (GD), we make the following contributions: Firstly, we determine NTP-separability conditions on the data, under which GD can attain its lower bound. We also demonstrate that these conditions hold under overparameterization. Secondly, we establish that the parameters of GD projected onto an appropriate data subspace converge to the unique solution of a system of linear equations, which requires the logits' difference of in-support tokens to be equal to the log-ratio of their respective probabilities. Meanwhile, on the orthogonal subspace, the parameters diverge and converge in the direction of the solution of a max-margin quadratic program, minimizing the Euclidean norm of parameters satisfying the \NTP-separability conditions. Akin to prior research on implicit bias of one-hot classification, our work opens exciting avenues for future research that can lead to better understanding optimization, generalization and robustness principles of models trained with NTP.