We study Transformers through the perspective of optimal control theory, using tools from continuous-time formulations to derive actionable insights into training and architecture design. This framework improves the performance of existing Transformer models while providing desirable theoretical guarantees, including generalization and robustness. Our framework is designed to be plug-and-play, enabling seamless integration with established Transformer models and requiring only slight changes to the implementation. We conduct seven extensive experiments on tasks motivated by text generation, sentiment analysis, image classification, and point cloud classification. Experimental results show that the framework improves the test performance of the baselines, while being more parameter-efficient. On character-level text generation with nanoGPT, our framework achieves a 46\% reduction in final test loss while using 42\% fewer parameters. On GPT-2, our framework achieves a 9.3\% reduction in final test loss, demonstrating scalability to larger models. To the best of our knowledge, this is the first work that applies optimal control theory to both the training and architecture of Transformers. It offers a new foundation for systematic, theory-driven improvements and moves beyond costly trial-and-error approaches.

Given a Boolean formula ϕ(x) in conjunctive normal form (CNF), the density of states counts the number of variable assignments that violate exactly e clauses, for all values of e. Thus, the density of states is a histogram of the number of unsatisfied clauses over all possible assignments. This computation generalizes both maximum-satisfiability (MAX-SAT) and model counting problems and not only provides insight into the entire solution space, but also yields a measure for the hardness of the problem instance. Consequently, in real-world scenarios, this problem is typically infeasible even when using state-of-the-art algorithms. While finding an exact answer to this problem is a computationally intensive task, we propose a novel approach for estimating density of states based on the concentration of measure inequalities. The methodology results in a quadratic unconstrained binary optimization (QUBO), which is particularly amenable to quantum annealing-based solutions. We present the overall approach and compare results from the D-Wave quantum annealer against the best-known classical algorithms such as the Hamze-de Freitas-Selby (HFS) algorithm and satisfiability modulo theory (SMT) solvers.