Suffix-Constrained Greedy Search Algorithms for Causal Language Models

Large Language Models remain plagued by hallucinations. Recent work has sought to tame their prevalence using statistical techniques based on conformal prediction, with both theoretical and empirical success. However, these methods operate in a post-hoc fashion, treating the sampling procedure itself as atomic and then surgically altering samples to remove hallucinated claims. This disconnect between filtering and generation can result in samples that are incoherent, inconsistent, or simply unlikely under the model itself. Moreover, post-hoc surgery is unable to shift probability mass towards more useful and helpful responses. To address these issues, we propose to instead sample from approximations to an LLM posterior, where the conditioning event corresponds to a calibrated, high-scoring region. We develop a calibration procedure tailored to the setting of conditional sequential generation that effectively identifies this region and achieves target risk control. Empirically, we apply our method to case studies focused on open-ended biography generation and mathematical problem solving; compared to prior work, we obtain the same statistical guarantees, with higher downstream utility.

Large Language Models (LLMs) struggle with reliably generating highly structured outputs, such as program code, mathematical formulas, or well-formed markup. Constrained decoding approaches mitigate this problem by greedily restricting what tokens an LLM can output at each step to guarantee that the output matches a given constraint. Specifically, in grammar-constrained decoding (GCD), the LLM's output must follow a given grammar. In this paper, we demonstrate that GCD techniques (and in general constrained decoding techniques) can distort the LLM's distribution, leading to outputs that are grammatical but appear with likelihoods that are not proportional to the ones given by the LLM, and so ultimately are low-quality. We call the problem of aligning sampling with a grammar constraint, grammar-aligned decoding (GAD), and propose adaptive sampling with approximate expected futures (ASAp), a decoding algorithm that guarantees the output to be grammatical while provably producing outputs that match the conditional probability of the LLM's distribution conditioned on the given grammar constraint. Our algorithm uses prior sample outputs to soundly overapproximate the future grammaticality of different output prefixes. Our evaluation on code generation and structured NLP tasks shows how ASAp often produces outputs with higher likelihood (according to the LLM's distribution) than existing GCD techniques, while still enforcing the desired grammatical constraints.

When generating outputs for domains with specific validity constraints (e.g., a program should compile), LLMs often fail in a small number of focused ways: for example, by using Python function names when generating TypeScript. We observe that these error patterns can be represented using a small number of constraints that can be learned in practice. We propose \emph{prefix filters}, which are per-domain-and-LLM symbolic functions, as objects to capture the error patterns, Palla as an algorithm to learn prefix filters efficiently in practice, and implement Palla. Prefix filters learned by Palla i) help us quantitatively analyze the error patterns of LLMs, and ii) can be used to constrain the outputs of a model via constrained sampling algorithms. For example, Palla boosts compile rates for Qwen2.5-1.5B on TypeScript generation, by over 60%, allowing Qwen2.5-1.5B to achieve similar performance to Llama3.1-8B unconstrained.