Making Grid Beam Search Less Greedy

Beam-search-based test-time methods provide an effective way to improve large language model (LLM) performance on long-horizon generation by pruning invalid reasoning paths early, leading to significantly improved reasoning efficiency and more favorable test-time cost scaling. Despite strong empirical success, the theoretical understanding of beam search remains limited. In this paper, we study the test-time compute guarantee of the commonly used beam search framework that uses the model's internal log-likelihood for intermediate scoring, while relying on an external reward model only after a complete response is generated. We first establish a lower bound for vanilla beam search, showing that at least $Ω(C^\star(x)^2)$ samples are required for the optimal response to survive, where $C^\star(x)$ is the token-level coverage coefficient for prompt $x$. This motivates our modified confidence-filtered beam search (CF-Beam), which reduces the sufficient coverage dependence from quadratic to nearly linear under prefix competitiveness, for fixed horizon, gap, and target accuracy. We then show that the regret of CF-Beam is upper-bounded by the probability of rare failure events and the reward estimation error scaled by a path-level coverage coefficient, where the rare-failure term vanishes as per-step sampling increases. Our results highlight a fundamental advantage of beam search over sequence-level inference methods such as Best-of-N and Best-of-Majority. While the guarantees of these approaches typically involve coverage coefficients that grow exponentially with the horizon $L$, CF-Beam controls the dominant search-induced term through a token-level coverage coefficient that scales polynomially with $L$. Our numerical experiments further confirm that beam search is more robust on hard instances and under increasing reasoning horizons.

Grammar-constrained generation guarantees syntactic validity, but can substantially degrade semantic quality when the model's preferred outputs are poorly aligned with the imposed grammar. This trade-off is particularly severe when the prompt is underspecified or the model has limited instruction-following ability. Beam search can partially mitigate these failures by exploring multiple valid sequences, but its computational cost grows with beam width, while sequence-level probability is only an imperfect proxy for semantic quality. We introduce GrammarRL, a label-free reinforcement learning method that adapts language models to grammar constraints without requiring annotated data. GrammarRL optimizes the model using two complementary self-supervised rewards derived from its own likelihoods: a direct reward, measuring how likely the constrained output is given the input, and a reverse reward, measuring how well the input can be reconstructed from the generated output. We optimize these rewards with a Reinforce Leave-One-Out (RLOO) objective over groups of grammar-constrained rollouts, augmented with the top-1 beam-search hypothesis and regularized towards a frozen base model. We evaluate GrammarRL on sign language gloss translation, hierarchical text classification, and named entity recognition using Llama models ranging from 1B to 8B parameters. GrammarRL consistently outperforms constrained greedy decoding, with an average improvement of 9.8 points and gains of up to 22.8 BLEU. It matches or outperforms beam search on two of the three tasks while preserving greedy-decoding inference cost. Ablations further show that the two rewards are complementary: either reward alone can underperform the untrained baseline, whereas their combination consistently improves upon it.

Large language models (LLMs) are powerful tools that have found applications beyond human-machine interfaces and chatbots. Beside free-form generation, there has been an interest in constrained generation, a setting where LLMs are constrained to generate well-formed outputs with respect to the language defined by a formal grammar. Although appealing, this setting may be over restrictive for downstream applications. For example, many LLM tasks require the model to reason freely before generating its final response in a specific format. In this work, we introduce suffix-constrained generation, a constrained generation setting in which only the end of the response is constrained by a grammar, a scenario that is not supported by existing constrained generation methods. We introduce several suffix-constrained generation algorithms that are based on greedy search. We experiment on several datasets, and show that our approach allows to guarantee suffix constraints without having a negative impact on results, and even improving them in many settings.