Better Estimation of the KL Divergence Between Language Models

Estimating the Kullback--Leibler (KL) divergence between language models has many applications, e.g., reinforcement learning from human feedback (RLHF), interpretability, and knowledge distillation. However, computing the exact KL divergence between two arbitrary language models is intractable. Thus, practitioners often resort to the use of sampling-based estimators. While it is easy to fashion a simple Monte Carlo (MC) estimator that provides an unbiased estimate of the KL divergence between language models, this estimator notoriously suffers from high variance, and can even result in a negative estimate of the KL divergence, a non-negative quantity. In this paper, we introduce a Rao--Blackwellized estimator that is also unbiased and provably has variance less than or equal to that of the standard Monte Carlo estimator. In an empirical study on sentiment-controlled fine-tuning, we show that our estimator provides more stable KL estimates and reduces variance substantially in practice. Additionally, we derive an analogous Rao--Blackwellized estimator of the gradient of the KL divergence, which leads to more stable training and produces models that more frequently appear on the Pareto frontier of reward vs. KL compared to the ones trained with the MC estimator of the gradient.

Fast Controlled Generation from Language Models with Adaptive Weighted Rejection Sampling

The dominant approach to generating from language models subject to some constraint is locally constrained decoding (LCD), incrementally sampling tokens at each time step such that the constraint is never violated. Typically, this is achieved through token masking: looping over the vocabulary and excluding non-conforming tokens. There are two important problems with this approach. (i) Evaluating the constraint on every token can be prohibitively expensive -- LM vocabularies often exceed $100,000$ tokens. (ii) LCD can distort the global distribution over strings, sampling tokens based only on local information, even if they lead down dead-end paths. This work introduces a new algorithm that addresses both these problems. First, to avoid evaluating a constraint on the full vocabulary at each step of generation, we propose an adaptive rejection sampling algorithm that typically requires orders of magnitude fewer constraint evaluations. Second, we show how this algorithm can be extended to produce low-variance, unbiased estimates of importance weights at a very small additional cost -- estimates that can be soundly used within previously proposed sequential Monte Carlo algorithms to correct for the myopic behavior of local constraint enforcement. Through extensive empirical evaluation in text-to-SQL, molecular synthesis, goal inference, pattern matching, and JSON domains, we show that our approach is superior to state-of-the-art baselines, supporting a broader class of constraints and improving both runtime and performance. Additional theoretical and empirical analyses show that our method's runtime efficiency is driven by its dynamic use of computation, scaling with the divergence between the unconstrained and constrained LM, and as a consequence, runtime improvements are greater for better models.

From Language Models over Tokens to Language Models over Characters

Modern language models are internally -- and mathematically -- distributions over token strings rather than \emph{character} strings, posing numerous challenges for programmers building user applications on top of them. For example, if a prompt is specified as a character string, it must be tokenized before passing it to the token-level language model. Thus, the tokenizer and consequent analyses are very sensitive to the specification of the prompt (e.g., if the prompt ends with a space or not). This paper presents algorithms for converting token-level language models to character-level ones. We present both exact and approximate algorithms. In the empirical portion of the paper, we benchmark the practical runtime and approximation quality. We find that -- even with a small computation budget -- our method is able to accurately approximate the character-level distribution (less than 0.00021 excess bits / character) at reasonably fast speeds (46.3 characters / second) on the Llama 3.1 8B language model.

On the Proper Treatment of Tokenization in Psycholinguistics

Language models are widely used in computational psycholinguistics to test theories that relate the negative log probability (the surprisal) of a region of interest (a substring of characters) under a language model to its cognitive cost experienced by readers, as operationalized, for example, by gaze duration on the region. However, the application of modern language models to psycholinguistic studies is complicated by the practice of using tokenization as an intermediate step in training a model. Doing so results in a language model over token strings rather than one over character strings. Vexingly, regions of interest are generally misaligned with these token strings. The paper argues that token-level language models should be (approximately) marginalized into character-level language models before they are used in psycholinguistic studies to compute the surprisal of a region of interest; then, the marginalized character-level language model can be used to compute the surprisal of an arbitrary character substring, which we term a focal area, that the experimenter may wish to use as a predictor. Our proposal of marginalizing a token-level model into a character-level one solves this misalignment issue independently of the tokenization scheme. Empirically, we discover various focal areas whose surprisal is a better psychometric predictor than the surprisal of the region of interest itself.

The Foundations of Tokenization: Statistical and Computational Concerns

Tokenization - the practice of converting strings of characters over an alphabet into sequences of tokens over a vocabulary - is a critical yet under-theorized step in the NLP pipeline. Notably, it remains the only major step not fully integrated into widely used end-to-end neural models. This paper aims to address this theoretical gap by laying the foundations of tokenization from a formal perspective. By articulating and extending basic properties about the category of stochastic maps, we propose a unified framework for representing and analyzing tokenizer models. This framework allows us to establish general conditions for the use of tokenizers. In particular, we formally establish the necessary and sufficient conditions for a tokenizer model to preserve the consistency of statistical estimators. Additionally, we discuss statistical and computational concerns crucial for the design and implementation of tokenizer models. The framework and results advanced in this paper represent a step toward a robust theoretical foundation for neural language modeling.

Variational Best-of-N Alignment

Best-of-N (BoN) is a popular and effective algorithm for aligning language models to human preferences. The algorithm works as follows: at inference time, N samples are drawn from the language model, and the sample with the highest reward, as judged by a reward model, is returned as the output. Despite its effectiveness, BoN is computationally expensive; it reduces sampling throughput by a factor of N. To make BoN more efficient at inference time, one strategy is to fine-tune the language model to mimic what BoN does during inference. To achieve this, we derive the distribution induced by the BoN algorithm. We then propose to fine-tune the language model to minimize backward KL divergence to the BoN distribution. Our approach is analogous to mean-field variational inference and, thus, we term it variational BoN (vBoN). To the extent this fine-tuning is successful and we end up with a good approximation, we have reduced the inference cost by a factor of N. Our experiments on a controlled generation task suggest that while variational BoN is not as effective as BoN in aligning language models, it is close to BoN performance as vBoN appears more often on the Pareto frontier of reward and KL divergence compared to models trained with KL-constrained RL objective.

Direct Preference Optimization with an Offset

Direct preference optimization (DPO) is a successful fine-tuning strategy for aligning large language models with human preferences without the need to train a reward model or employ reinforcement learning. DPO, as originally formulated, relies on binary preference data and fine-tunes a language model to increase the likelihood of a preferred response over a dispreferred response. However, not all preference pairs are equal: while in some cases the preferred response is only slightly better than the dispreferred response, there can be a stronger preference for one response when, for example, the other response includes harmful or toxic content. In this paper, we propose a generalization of DPO, termed DPO with an offset (ODPO), that does not treat every preference pair equally during fine-tuning. Intuitively, ODPO requires the difference between the likelihood of the preferred and dispreferred response to be greater than an offset value. The offset is determined based on the extent to which one response is preferred over another. Our experiments on various tasks suggest that ODPO significantly outperforms DPO in aligning language models, especially when the number of preference pairs is limited.

An Exploration of Left-Corner Transformations

The left-corner transformation (Rosenkrantz and Lewis, 1970) is used to remove left recursion from context-free grammars, which is an important step towards making the grammar parsable top-down with simple techniques. This paper generalizes prior left-corner transformations to support semiring-weighted production rules and to provide finer-grained control over which left corners may be moved. Our generalized left-corner transformation (GLCT) arose from unifying the left-corner transformation and speculation transformation (Eisner and Blatz, 2007), originally for logic programming. Our new transformation and speculation define equivalent weighted languages. Yet, their derivation trees are structurally different in an important way: GLCT replaces left recursion with right recursion, and speculation does not. We also provide several technical results regarding the formal relationships between the outputs of GLCT, speculation, and the original grammar. Lastly, we empirically investigate the efficiency of GLCT for left-recursion elimination from grammars of nine languages.

Efficient Algorithms for Recognizing Weighted Tree-Adjoining Languages

The class of tree-adjoining languages can be characterized by various two-level formalisms, consisting of a context-free grammar (CFG) or pushdown automaton (PDA) controlling another CFG or PDA. These four formalisms are equivalent to tree-adjoining grammars (TAG), linear indexed grammars (LIG), pushdown-adjoining automata (PAA), and embedded pushdown automata (EPDA). We define semiring-weighted versions of the above two-level formalisms, and we design new algorithms for computing their stringsums (the weight of all derivations of a string) and allsums (the weight of all derivations). From these, we also immediately obtain stringsum and allsum algorithms for TAG, LIG, PAA, and EPDA. For LIG, our algorithm is more time-efficient by a factor of $\mathcal{O}(n|\mathcal{N}|)$ (where $n$ is the string length and $|\mathcal{N}|$ is the size of the nonterminal set) and more space-efficient by a factor of $\mathcal{O}(|\Gamma|)$ (where $|\Gamma|$ is the size of the stack alphabet) than the algorithm of Vijay-Shanker and Weir (1989). For EPDA, our algorithm is both more space-efficient and time-efficient than the algorithm of Alonso et al. (2001) by factors of $\mathcal{O}(|\Gamma|^2)$ and $\mathcal{O}(|\Gamma|^3)$, respectively. Finally, we give the first PAA stringsum and allsum algorithms.

Efficient Semiring-Weighted Earley Parsing

This paper provides a reference description, in the form of a deduction system, of Earley's (1970) context-free parsing algorithm with various speed-ups. Our presentation includes a known worst-case runtime improvement from Earley's $O (N^3|G||R|)$, which is unworkable for the large grammars that arise in natural language processing, to $O (N^3|G|)$, which matches the runtime of CKY on a binarized version of the grammar $G$. Here $N$ is the length of the sentence, $|R|$ is the number of productions in $G$, and $|G|$ is the total length of those productions. We also provide a version that achieves runtime of $O (N^3|M|)$ with $|M| \leq |G|$ when the grammar is represented compactly as a single finite-state automaton $M$ (this is partly novel). We carefully treat the generalization to semiring-weighted deduction, preprocessing the grammar like Stolcke (1995) to eliminate deduction cycles, and further generalize Stolcke's method to compute the weights of sentence prefixes. We also provide implementation details for efficient execution, ensuring that on a preprocessed grammar, the semiring-weighted versions of our methods have the same asymptotic runtime and space requirements as the unweighted methods, including sub-cubic runtime on some grammars.