Probability-Preserving Transformer for the Time-Dependent Schrödinger Equation

Abstract

Solving the time-dependent Schrödinger equation (TDSE) via traditional numerical methods is computationally intensive. Transformer models offer a compelling alternative, but standard implementations rely on soft constraints that cannot rigorously guarantee probability conservation. Here, we introduce a Transformer architecture that enforces TDSE probability conservation as a hard constraint. The design intrinsically ensures unitarity across temporal evolution without requiring repeated retraining. Our empirical findings show that this hard-constraint approach is not only physically exact but also computationally superior to conventional soft-constraint methods.

9 pages, 7 figures