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Aug 19

How Optimal is Greedy Decoding for Extractive Question Answering?

Fine-tuned language models use greedy decoding to answer reading comprehension questions with relative success. However, this approach does not ensure that the answer is a span in the given passage, nor does it guarantee that it is the most probable one. Does greedy decoding actually perform worse than an algorithm that does adhere to these properties? To study the performance and optimality of greedy decoding, we present exact-extract, a decoding algorithm that efficiently finds the most probable answer span in the context. We compare the performance of T5 with both decoding algorithms on zero-shot and few-shot extractive question answering. When no training examples are available, exact-extract significantly outperforms greedy decoding. However, greedy decoding quickly converges towards the performance of exact-extract with the introduction of a few training examples, becoming more extractive and increasingly likelier to generate the most probable span as the training set grows. We also show that self-supervised training can bias the model towards extractive behavior, increasing performance in the zero-shot setting without resorting to annotated examples. Overall, our results suggest that pretrained language models are so good at adapting to extractive question answering, that it is often enough to fine-tune on a small training set for the greedy algorithm to emulate the optimal decoding strategy.

Transfer Q Star: Principled Decoding for LLM Alignment

Aligning foundation models is essential for their safe and trustworthy deployment. However, traditional fine-tuning methods are computationally intensive and require updating billions of model parameters. A promising alternative, alignment via decoding, adjusts the response distribution directly without model updates to maximize a target reward r, thus providing a lightweight and adaptable framework for alignment. However, principled decoding methods rely on oracle access to an optimal Q-function (Q^*), which is often unavailable in practice. Hence, prior SoTA methods either approximate this Q^* using Q^{pi_{sft}} (derived from the reference SFT model) or rely on short-term rewards, resulting in sub-optimal decoding performance. In this work, we propose Transfer Q^*, which implicitly estimates the optimal value function for a target reward r through a baseline model rho_{BL} aligned with a baseline reward rho_{BL} (which can be different from the target reward r). Theoretical analyses of Transfer Q^* provide a rigorous characterization of its optimality, deriving an upper bound on the sub-optimality gap and identifying a hyperparameter to control the deviation from the pre-trained reference SFT model based on user needs. Our approach significantly reduces the sub-optimality gap observed in prior SoTA methods and demonstrates superior empirical performance across key metrics such as coherence, diversity, and quality in extensive tests on several synthetic and real datasets.

SpecTr: Fast Speculative Decoding via Optimal Transport

Autoregressive sampling from large language models has led to state-of-the-art results in several natural language tasks. However, autoregressive sampling generates tokens one at a time making it slow, and even prohibitive in certain tasks. One way to speed up sampling is speculative decoding: use a small model to sample a draft (block or sequence of tokens), and then score all tokens in the draft by the large language model in parallel. A subset of the tokens in the draft are accepted (and the rest rejected) based on a statistical method to guarantee that the final output follows the distribution of the large model. In this work, we provide a principled understanding of speculative decoding through the lens of optimal transport (OT) with membership cost. This framework can be viewed as an extension of the well-known maximal-coupling problem. This new formulation enables us to generalize the speculative decoding method to allow for a set of k candidates at the token-level, which leads to an improved optimal membership cost. We show that the optimal draft selection algorithm (transport plan) can be computed via linear programming, whose best-known runtime is exponential in k. We then propose a valid draft selection algorithm whose acceptance probability is (1-1/e)-optimal multiplicatively. Moreover, it can be computed in time almost linear with size of domain of a single token. Using this new draft selection algorithm, we develop a new autoregressive sampling algorithm called SpecTr, which provides speedup in decoding while ensuring that there is no quality degradation in the decoded output. We experimentally demonstrate that for state-of-the-art large language models, the proposed approach achieves a wall clock speedup of 2.13X, a further 1.37X speedup over speculative decoding on standard benchmarks.

Adaptive Draft-Verification for Efficient Large Language Model Decoding

Large language model (LLM) decoding involves generating a sequence of tokens based on a given context, where each token is predicted one at a time using the model's learned probabilities. The typical autoregressive decoding method requires a separate forward pass through the model for each token generated, which is computationally inefficient and poses challenges for deploying LLMs in latency-sensitive scenarios. The main limitations of current decoding methods stem from their inefficiencies and resource demands. Existing approaches either necessitate fine-tuning smaller models, which is resource-intensive, or rely on fixed retrieval schemes to construct drafts for the next tokens, which lack adaptability and fail to generalize across different models and contexts. To address these issues, we introduce a novel methodology called ADED, which accelerates LLM decoding without requiring fine-tuning. Our approach involves an adaptive draft-verification process that evolves over time to improve efficiency. We utilize a tri-gram matrix-based LLM representation to dynamically approximate the output distribution of the LLM, allowing the model to adjust to changing token probabilities during the decoding process. Additionally, we implement a draft construction mechanism that effectively balances exploration and exploitation, ensuring that the drafts generated are both diverse and close to the true output distribution of the LLM. The importance of this design lies in its ability to optimize the draft distribution adaptively, leading to faster and more accurate decoding. Through extensive experiments on various benchmark datasets and LLM architectures, we demonstrate that ADED significantly accelerates the decoding process while maintaining high accuracy, making it suitable for deployment in a wide range of practical applications.

Decoding at the Speed of Thought: Harnessing Parallel Decoding of Lexical Units for LLMs

Large language models have demonstrated exceptional capability in natural language understanding and generation. However, their generation speed is limited by the inherently sequential nature of their decoding process, posing challenges for real-time applications. This paper introduces Lexical Unit Decoding (LUD), a novel decoding methodology implemented in a data-driven manner, accelerating the decoding process without sacrificing output quality. The core of our approach is the observation that a pre-trained language model can confidently predict multiple contiguous tokens, forming the basis for a lexical unit, in which these contiguous tokens could be decoded in parallel. Extensive experiments validate that our method substantially reduces decoding time while maintaining generation quality, i.e., 33\% speed up on natural language generation with no quality loss, and 30\% speed up on code generation with a negligible quality loss of 3\%. Distinctively, LUD requires no auxiliary models and does not require changes to existing architectures. It can also be integrated with other decoding acceleration methods, thus achieving an even more pronounced inference efficiency boost. We posit that the foundational principles of LUD could define a new decoding paradigm for future language models, enhancing their applicability for a broader spectrum of applications. All codes are be publicly available at https://github.com/tjunlp-lab/Lexical-Unit-Decoding-LUD-. Keywords: Parallel Decoding, Lexical Unit Decoding, Large Language Model

DySpec: Faster Speculative Decoding with Dynamic Token Tree Structure

While speculative decoding has recently appeared as a promising direction for accelerating the inference of large language models (LLMs), the speedup and scalability are strongly bounded by the token acceptance rate. Prevalent methods usually organize predicted tokens as independent chains or fixed token trees, which fails to generalize to diverse query distributions. In this paper, we propose DySpec, a faster speculative decoding algorithm with a novel dynamic token tree structure. We begin by bridging the draft distribution and acceptance rate from intuitive and empirical clues, and successfully show that the two variables are strongly correlated. Based on this, we employ a greedy strategy to dynamically expand the token tree at run time. Theoretically, we show that our method can achieve optimal results under mild assumptions. Empirically, DySpec yields a higher acceptance rate and speedup than fixed trees. DySpec can drastically improve the throughput and reduce the latency of token generation across various data distribution and model sizes, which significantly outperforms strong competitors, including Specinfer and Sequoia. Under low temperature setting, DySpec can improve the throughput up to 9.1times and reduce the latency up to 9.4times on Llama2-70B. Under high temperature setting, DySpec can also improve the throughput up to 6.21times, despite the increasing difficulty of speculating more than one token per step for draft model.

Superposed Decoding: Multiple Generations from a Single Autoregressive Inference Pass

Many applications today provide users with multiple auto-complete drafts as they type, including GitHub's code completion, Gmail's smart compose, and Apple's messaging auto-suggestions. Under the hood, language models support this by running an autoregressive inference pass to provide a draft. Consequently, providing k drafts to the user requires running an expensive language model k times. To alleviate the computation cost of running k inference passes, we propose Superposed Decoding, a new decoding algorithm that generates k drafts at the computation cost of one autoregressive inference pass. We achieve this by feeding a superposition of the most recent token embeddings from the k drafts as input to the next decoding step of the language model. At every inference step we combine the k drafts with the top-k tokens to get k^2 new drafts and cache the k most likely options, using an n-gram interpolation with minimal compute overhead to filter out incoherent generations. Our experiments show that k drafts from Superposed Decoding are at least as coherent and factual as Nucleus Sampling and Greedy Decoding respectively, while being at least 2.44times faster for kge3. In a compute-normalized setting, user evaluations demonstrably favor text generated by Superposed Decoding over Nucleus Sampling. Code and more examples open-sourced at https://github.com/RAIVNLab/SuperposedDecoding.

A Markov Categorical Framework for Language Modeling

Auto-regressive language models factorize sequence probabilities and are trained by minimizing the negative log-likelihood (NLL) objective. While empirically powerful, a deep theoretical understanding of why this simple objective yields such versatile representations remains elusive. This work introduces a unifying analytical framework using Markov Categories (MCs) to deconstruct the AR generation process and the NLL objective. We model the single-step generation map as a composition of Markov kernels in the category Stoch. This compositional view, when enriched with statistical divergences, allows us to dissect information flow and learned geometry. Our framework makes three main contributions. First, we provide a formal, information-theoretic rationale for the success of modern speculative decoding methods like EAGLE, quantifying the information surplus in hidden states that these methods exploit. Second, we formalize how NLL minimization forces the model to learn not just the next token, but the data's intrinsic conditional stochasticity, a process we analyze using categorical entropy. Third, and most centrally, we prove that NLL training acts as an implicit form of spectral contrastive learning. By analyzing the information geometry of the model's prediction head, we show that NLL implicitly forces the learned representation space to align with the eigenspectrum of a predictive similarity operator, thereby learning a geometrically structured space without explicit contrastive pairs. This compositional and information-geometric perspective reveals the deep structural principles underlying the effectiveness of modern LMs. Project Page: https://github.com/asiresearch/lm-theory

A*-Decoding: Token-Efficient Inference Scaling

Inference-time scaling has emerged as a powerful alternative to parameter scaling for improving language model performance on complex reasoning tasks. While existing methods have shown strong performance gains under fixed compute budgets, there has been little focus on optimally utilizing that budget during inference. In this work, we introduce A*-decoding, a search-based inference-time strategy that builds on the A* search algorithm to optimally utilize a fixed compute budget by prioritizing high-quality reasoning paths during generation. We frame language model decoding as a structured search in a state space of partial solutions, applying the A* transition model to identify promising continuations guided by an external process supervision signal. In our experiments, A*-decoding reaches the performance levels of strong inference scaling baselines like best-of-N and particle filtering while using up to 3x fewer tokens and 30% fewer PRM passes under equivalent compute budgets. On the MATH500 and AIME 2024 benchmarks, A*-decoding enables Llama-3.2-1B-Instruct to match the performance of the 70x larger Llama-3.1-70B-Instruct, and allows Qwen3-1.7B to reach o1-like reasoning accuracy. These results highlight the power of structured search in decoding, offering an alternative to brute-force sampling or scale-driven gains. Our work demonstrates how thoughtful inference-time strategies can enhance reasoning in SLMs, pointing toward future advances in more efficient and scalable language model deployment.

Towards Optimal Multi-draft Speculative Decoding

Large Language Models (LLMs) have become an indispensable part of natural language processing tasks. However, autoregressive sampling has become an efficiency bottleneck. Multi-Draft Speculative Decoding (MDSD) is a recent approach where, when generating each token, a small draft model generates multiple drafts, and the target LLM verifies them in parallel, ensuring that the final output conforms to the target model distribution. The two main design choices in MDSD are the draft sampling method and the verification algorithm. For a fixed draft sampling method, the optimal acceptance rate is a solution to an optimal transport problem, but the complexity of this problem makes it difficult to solve for the optimal acceptance rate and measure the gap between existing verification algorithms and the theoretical upper bound. This paper discusses the dual of the optimal transport problem, providing a way to efficiently compute the optimal acceptance rate. For the first time, we measure the theoretical upper bound of MDSD efficiency for vocabulary sizes in the thousands and quantify the gap between existing verification algorithms and this bound. We also compare different draft sampling methods based on their optimal acceptance rates. Our results show that the draft sampling method strongly influences the optimal acceptance rate, with sampling without replacement outperforming sampling with replacement. Additionally, existing verification algorithms do not reach the theoretical upper bound for both without replacement and with replacement sampling. Our findings suggest that carefully designed draft sampling methods can potentially improve the optimal acceptance rate and enable the development of verification algorithms that closely match the theoretical upper bound.

SpecDec++: Boosting Speculative Decoding via Adaptive Candidate Lengths

Speculative decoding reduces the inference latency of a target large language model via utilizing a smaller and faster draft model. Its performance depends on a hyperparameter K -- the candidate length, i.e., the number of candidate tokens for the target model to verify in each round. However, previous methods often use simple heuristics to choose K, which may result in sub-optimal performance. We study the choice of the candidate length K and formulate it as a Markov Decision Process. We theoretically show that the optimal policy of this Markov decision process takes the form of a threshold policy, i.e., the current speculation should stop and be verified when the probability of getting a rejection exceeds a threshold value. Motivated by this theory, we propose SpecDec++, an enhanced version of speculative decoding that adaptively determines the candidate length on the fly. We augment the draft model with a trained acceptance prediction head to predict the conditional acceptance probability of the candidate tokens. SpecDec++ will stop the current speculation when the predicted probability that at least one token gets rejected exceeds a threshold. We implement SpecDec++ and apply it to the llama-2-chat 7B & 70B model pair. Our adaptive method achieves a 2.04x speedup on the Alpaca dataset (an additional 7.2% improvement over the baseline speculative decoding). On the GSM8K and HumanEval datasets, our method achieves a 2.26x speedup (9.4% improvement) and 2.23x speedup (11.1% improvement), respectively.

Recursive Speculative Decoding: Accelerating LLM Inference via Sampling Without Replacement

Speculative decoding is an inference-acceleration method for large language models (LLMs) where a small language model generates a draft-token sequence which is further verified by the target LLM in parallel. Recent works have advanced this method by establishing a draft-token tree, achieving superior performance over a single-sequence speculative decoding. However, those works independently generate tokens at each level of the tree, not leveraging the tree's entire diversifiability. Besides, their empirical superiority has been shown for fixed length of sequences, implicitly granting more computational resource to LLM for the tree-based methods. None of the existing works has conducted empirical studies with fixed target computational budgets despite its importance to resource-bounded devices. We present Recursive Speculative Decoding (RSD), a novel tree-based method that samples draft tokens without replacement and maximizes the diversity of the tree. During RSD's drafting, the tree is built by either Gumbel-Top-k trick that draws tokens without replacement in parallel or Stochastic Beam Search that samples sequences without replacement while early-truncating unlikely draft sequences and reducing the computational cost of LLM. We empirically evaluate RSD with Llama 2 and OPT models, showing that RSD outperforms the baseline methods, consistently for fixed draft sequence length and in most cases for fixed computational budgets at LLM.

Towards Better Code Generation: Adaptive Decoding with Uncertainty Guidance

Code generation using large language models (LLMs) is highly sensitive to the choice of tokens during decoding, especially at points of uncertainty that critically affect the generated program's logic. Conventional decoding methods such as greedy search and beam search apply uniform treatment to all tokens, neglecting the unique uncertainty characteristics inherent in code generation, which can result in suboptimal outputs. In this work, we conduct an empirical analysis demonstrating that a significant portion of generation errors arises from incorrect token ranking at high-uncertainty steps, where the ground truth token exists in the candidate set but fails to be ranked first. Inspired by this insight, we introduce AdaDec, an adaptive decoding framework guided by token-level uncertainty quantified via Shannon entropy. AdaDec dynamically learns uncertainty thresholds tailored to each model and employs a pause-then-rerank mechanism with lookahead when the uncertainty surpasses these thresholds. Evaluation on the HumanEval and MBPP benchmarks reveals that AdaDec achieves up to a 15.5% improvement in Pass@1 accuracy compared to greedy decoding, matches or outperforms traditional beam search, and reduces both computational overhead and latency through targeted, selective pausing. Our findings suggest that uncertainty-aware adaptive decoding holds considerable potential for enhancing both the reliability and efficiency of code generation with LLMs.

Turning Trash into Treasure: Accelerating Inference of Large Language Models with Token Recycling

The rapid growth in the parameters of large language models (LLMs) has made inference latency a fundamental bottleneck, limiting broader application of LLMs. Speculative decoding represents a lossless approach to accelerate inference through a guess-and-verify paradigm, leveraging the parallel capabilities of modern hardware. Some speculative decoding methods rely on additional structures to guess draft tokens, such as small models or parameter-efficient architectures, which need extra training before use. Alternatively, retrieval-based train-free techniques build libraries from pre-existing corpora or by n-gram generation. However, they face challenges like large storage requirements, time-consuming retrieval, and limited adaptability. Observing that candidate tokens generated during the decoding process are likely to reoccur in future sequences, we propose Token Recycling. This approach stores candidate tokens in an adjacency matrix and employs a breadth-first search (BFS)-like algorithm on the matrix to construct a draft tree. The tree is then validated through tree attention. New candidate tokens from the decoding process are then used to update the matrix. Token Recycling requires \textless2MB of additional storage and achieves approximately 2x speedup across all sizes of LLMs. It significantly outperforms existing train-free methods by 30\% and even a training method by 25\%. It can be directly applied to any existing LLMs and tasks without the need for adaptation.

Entropy Adaptive Decoding: Dynamic Model Switching for Efficient Inference

We present Entropy Adaptive Decoding (EAD), a novel approach for efficient language model inference that dynamically switches between different-sized models based on prediction uncertainty. By monitoring rolling entropy in model logit distributions, our method identifies text regions where a smaller model suffices and switches to a larger model only when prediction uncertainty exceeds a threshold. Unlike speculative decoding approaches that maintain perfect output fidelity through verification, EAD accepts controlled output divergence in exchange for computational efficiency. Our experiments on the MATH benchmark demonstrate remarkable efficiency gains across different model families. Using the LLaMA family, we maintain 96.7\% of the 11B model's performance (50.4\% vs 52.1\%) while using it for only 43\% of tokens, decreasing computational cost by 41.5\%. These gains become more pronounced with larger size differentials in the Qwen family, where we achieve 92.9\% of the 14B model's performance (74.3\% vs 80.0\%) while using it for just 25\% of tokens, decreasing computational cost by 67\%. The consistency of these results across model pairs suggests that language model computation can be significantly optimized by selectively deploying model capacity based on local generation complexity. Our findings indicate that current approaches to model inference may be unnecessarily conservative in their pursuit of perfect output fidelity, and that accepting minor performance trade-offs can enable dramatic reductions in computational costs.

Constrained Decoding of Diffusion LLMs with Context-Free Grammars

Large language models (LLMs) have shown promising performance across diverse domains. Many practical applications of LLMs, such as code completion and structured data extraction, require adherence to syntactic constraints specified by a formal language. Yet, due to their probabilistic nature, LLM output is not guaranteed to adhere to such formal languages. Prior work has proposed constrained decoding as a means to restrict LLM generation to particular formal languages. However, existing works are not applicable to the emerging paradigm of diffusion LLMs, when used in practical scenarios such as the generation of formally correct C++ or JSON output. In this paper we address this challenge and present the first constrained decoding method for diffusion models, one that can handle formal languages captured by context-free grammars. We begin by reducing constrained decoding to the more general additive infilling problem, which asks whether a partial output can be completed to a valid word in the target language. This problem also naturally subsumes the previously unaddressed multi-region infilling constrained decoding. We then reduce this problem to the task of deciding whether the intersection of the target language and a regular language is empty and present an efficient algorithm to solve it for context-free languages. Empirical results on various applications, such as C++ code infilling and structured data extraction in JSON, demonstrate that our method achieves near-perfect syntactic correctness while consistently preserving or improving functional correctness. Importantly, our efficiency optimizations ensure that the computational overhead remains practical.

Hardware-Aware Parallel Prompt Decoding for Memory-Efficient Acceleration of LLM Inference

The auto-regressive decoding of Large Language Models (LLMs) results in significant overheads in their hardware performance. While recent research has investigated various speculative decoding techniques for multi-token generation, these efforts have primarily focused on improving processing speed such as throughput. Crucially, they often neglect other metrics essential for real-life deployments, such as memory consumption and training cost. To overcome these limitations, we propose a novel parallel prompt decoding that requires only 0.0002% trainable parameters, enabling efficient training on a single A100-40GB GPU in just 16 hours. Inspired by the human natural language generation process, PPD approximates outputs generated at future timesteps in parallel by using multiple prompt tokens. This approach partially recovers the missing conditional dependency information necessary for multi-token generation, resulting in up to a 28% higher acceptance rate for long-range predictions. Furthermore, we present a hardware-aware dynamic sparse tree technique that adaptively optimizes this decoding scheme to fully leverage the computational capacities on different GPUs. Through extensive experiments across LLMs ranging from MobileLlama to Vicuna-13B on a wide range of benchmarks, our approach demonstrates up to 2.49times speedup and maintains a minimal runtime memory overhead of just 0.0004%. More importantly, our parallel prompt decoding can serve as an orthogonal optimization for synergistic integration with existing speculative decoding, showing up to 1.22times further speed improvement. Our code is available at https://github.com/hmarkc/parallel-prompt-decoding.

Parallel Speculative Decoding with Adaptive Draft Length

Speculative decoding (SD), where an extra draft model is employed to provide multiple draft tokens first and then the original target model verifies these tokens in parallel, has shown great power for LLM inference acceleration. However, existing SD methods suffer from the mutual waiting problem, i.e., the target model gets stuck when the draft model is guessing tokens, and vice versa. This problem is directly incurred by the asynchronous execution of the draft model and the target model, and is exacerbated due to the fixed draft length in speculative decoding. To address these challenges, we propose a conceptually simple, flexible, and general framework to boost speculative decoding, namely Parallel spEculative decoding with Adaptive dRaft Length (PEARL). Specifically, PEARL proposes pre-verify to verify the first draft token in advance during the drafting phase, and post-verify to generate more draft tokens during the verification phase. PEARL parallels the drafting phase and the verification phase via applying the two strategies, and achieves adaptive draft length for different scenarios, which effectively alleviates the mutual waiting problem. Moreover, we theoretically demonstrate that the mean accepted tokens of PEARL is more than existing draft-then-verify works. Experiments on various text generation benchmarks demonstrate the effectiveness of our \name, leading to a superior speedup performance up to 3.79times and 1.52times, compared to auto-regressive decoding and vanilla speculative decoding, respectively.

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.

Scaling Laws for Speculative Decoding

The escalating demand for efficient decoding in large language models (LLMs) is particularly critical for reasoning-intensive architectures like OpenAI-o3 and DeepSeek-R1, which depend on extended chain-of-thought reasoning. This study investigates speculative decoding techniques through dense LLM architectures to establish foundational insights for accelerating reasoning tasks. While speculative decoding methods leveraging parallel draft-verification cycles have emerged as promising acceleration techniques, the scaling laws governing decoding efficiency remain under-explored compared to conventional backbone LLMs developed through Pretraining->SFT->RLHF training paradigms. In this work, we discover Log-linear Scaling Laws (Theorem 1.1, 1.2 and 1.3) governing draft model acceptance rate (or decoding speed) across three dimensions: pretraining token volume, draft model capacity, and decoding batch size. Building on these laws, we achieve Scylla, which coordinates multi-dimensional scaling for popular LLMs (Llama2/3, Qwen2.5). Empirical validation shows Scylla achieves 1.5-2.2 higher acceptance rate than EAGLE2 and 0.3 higher than EAGLE3 at temperature T = 0, with peak performance gains on summarization and QA tasks (Figure 2). Industrial inference engine deployments demonstrate 2X decoding throughput improvements over EAGLE2 (Table 5), validating the transformative potential of systematic scaling for efficient LLM inference. Code will be released later.

Grammar-Aligned Decoding

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.

Diverse Beam Search: Decoding Diverse Solutions from Neural Sequence Models

Neural sequence models are widely used to model time-series data. Equally ubiquitous is the usage of beam search (BS) as an approximate inference algorithm to decode output sequences from these models. BS explores the search space in a greedy left-right fashion retaining only the top-B candidates - resulting in sequences that differ only slightly from each other. Producing lists of nearly identical sequences is not only computationally wasteful but also typically fails to capture the inherent ambiguity of complex AI tasks. To overcome this problem, we propose Diverse Beam Search (DBS), an alternative to BS that decodes a list of diverse outputs by optimizing for a diversity-augmented objective. We observe that our method finds better top-1 solutions by controlling for the exploration and exploitation of the search space - implying that DBS is a better search algorithm. Moreover, these gains are achieved with minimal computational or memory over- head as compared to beam search. To demonstrate the broad applicability of our method, we present results on image captioning, machine translation and visual question generation using both standard quantitative metrics and qualitative human studies. Further, we study the role of diversity for image-grounded language generation tasks as the complexity of the image changes. We observe that our method consistently outperforms BS and previously proposed techniques for diverse decoding from neural sequence models.

Planning with Large Language Models for Code Generation

Existing large language model-based code generation pipelines typically use beam search or sampling algorithms during the decoding process. Although the programs they generate achieve high token-matching-based scores, they often fail to compile or generate incorrect outputs. The main reason is that conventional Transformer decoding algorithms may not be the best choice for code generation. In this work, we propose a novel Transformer decoding algorithm, Planning-Guided Transformer Decoding (PG-TD), that uses a planning algorithm to do lookahead search and guide the Transformer to generate better programs. Specifically, instead of simply optimizing the likelihood of the generated sequences, the Transformer makes use of a planner to generate candidate programs and test them on public test cases. The Transformer can therefore make more informed decisions and generate tokens that will eventually lead to higher-quality programs. We also design a mechanism that shares information between the Transformer and the planner to make our algorithm computationally efficient. We empirically evaluate our framework with several large language models as backbones on public coding challenge benchmarks, showing that 1) it can generate programs that consistently achieve higher performance compared with competing baseline methods; 2) it enables controllable code generation, such as concise codes and highly-commented codes by optimizing modified objective.

Momentum Decoding: Open-ended Text Generation As Graph Exploration

Open-ended text generation with autoregressive language models (LMs) is one of the core tasks in natural language processing. However, maximization-based decoding methods (e.g., greedy/beam search) often lead to the degeneration problem, i.e., the generated text is unnatural and contains undesirable repetitions. Existing solutions to this problem either introduce randomness prone to incoherence or require a look-ahead mechanism that demands extra computational overhead. In this study, we formulate open-ended text generation from a new perspective, i.e., we view it as an exploration process within a directed graph. Thereby, we understand the phenomenon of degeneration as circular loops within the directed graph. Based on our formulation, we propose a novel decoding method -- momentum decoding -- which encourages the LM to greedily explore new nodes outside the current graph. Meanwhile, it also allows the LM to return to the existing nodes with a momentum downgraded by a pre-defined resistance function. We extensively test our approach on three benchmarks from different domains through automatic and human evaluations. The results show that momentum decoding performs comparably with the current state of the art while enjoying notably improved inference speed and computation FLOPs. Furthermore, we conduct a detailed analysis to reveal the merits and inner workings of our approach. Our codes and other related resources are publicly available at https://github.com/gmftbyGMFTBY/MomentumDecoding.

RASD: Retrieval-Augmented Speculative Decoding

Speculative decoding accelerates inference in large language models (LLMs) by generating draft tokens for target model verification. Current approaches for obtaining draft tokens rely on lightweight draft models or additional model structures to generate draft tokens and retrieve context from databases. Due to the draft model's small size and limited training data, model-based speculative decoding frequently becomes less effective in out-of-domain scenarios. Additionally, the time cost of the drafting phase results in a low upper limit on acceptance length during the verification step, limiting overall efficiency. This paper proposes RASD (Retrieval-Augmented Speculative Decoding), which adopts retrieval methods to enhance model-based speculative decoding. We introduce tree pruning and tree fusion to achieve this. Specifically, we develop a pruning method based on the draft model's probability distribution to construct the optimal retrieval tree. Second, we employ the longest prefix matching algorithm to merge the tree generated by the draft model with the retrieval tree, resulting in a unified tree for verification. Experimental results demonstrate that RASD achieves state-of-the-art inference acceleration across tasks such as DocQA, Summary, Code, and In-Domain QA. Moreover, RASD exhibits strong scalability, seamlessly integrating with various speculative decoding approaches, including both generation-based and retrieval-based methods.

S2D: Sorted Speculative Decoding For More Efficient Deployment of Nested Large Language Models

Deployment of autoregressive large language models (LLMs) is costly, and as these models increase in size, the associated costs will become even more considerable. Consequently, different methods have been proposed to accelerate the token generation process and reduce costs. Speculative decoding (SD) is among the most promising approaches to speed up the LLM decoding process by verifying multiple tokens in parallel and using an auxiliary smaller draft model to generate the possible tokens. In SD, usually, one draft model is used to serve a specific target model; however, in practice, LLMs are diverse, and we might need to deal with many target models or more than one target model simultaneously. In this scenario, it is not clear which draft model should be used for which target model, and searching among different draft models or training customized draft models can further increase deployment costs. In this paper, we first introduce a novel multi-target scenario for the deployment of draft models for faster inference. Then, we present a novel, more efficient sorted speculative decoding mechanism that outperforms regular baselines in multi-target settings. We evaluated our method on Spec-Bench in different settings, including base models such as Vicuna 7B, 13B, and LLama Chat 70B. Our results suggest that our draft models perform better than baselines for multiple target models at the same time.

The Nature of Mathematical Modeling and Probabilistic Optimization Engineering in Generative AI

In this paper, we give an in-depth analysis on the mathematical problem formulations and the probabilistic optimization explorations for some of the key components in Transformer model [33] in the field of generative AI. We explore and discuss some potential further enhancement for current state of the art methods for some key underlying technologies of generative AI models from algorithmic and probabilistic optimization perspective. In particular, we present an optimal solution for sub-word encoding (SWE) based on similar initial settings as that of byte-pair encoding (BPE) algorithm in [9] with similar objectives as that of WordPiece approach in [28, 31] to maximize the likelihood of the training data. We also present cross entropy optimization method to optimize hyperparameters for word2vec model [17]. In addition, we propose a factored combination of rotary positional encoding (RoPE) [32] and attention with linear biases (ALiBi) [23] with a harmonic series. We also present a probabilistic FlashAttention [6, 7] (PrFlashAttention) method with a probability distribution over block distances in the matrix to decide which block is likely to participate in a given round of attention computation while maintaining the lower triangle shape of the tensor for autoregressive language models by re-shaping the tensors. Finally, we present staircase adaptive quantization (SAQ) of key-value (KV) cache for multi-query attention (MQA) based on the framework presented in [16] to have gradual quantization degradation while achieving reasonable model quality and cost savings.

Activation-aware Probe-Query: Effective Key-Value Retrieval for Long-Context LLMs Inference

Recent advances in large language models (LLMs) have showcased exceptional performance in long-context tasks, while facing significant inference efficiency challenges with limited GPU memory. Existing solutions first proposed the sliding-window approach to accumulate a set of historical key-value (KV) pairs for reuse, then further improvements selectively retain its subsets at each step. However, due to the sparse attention distribution across a long context, it is hard to identify and recall relevant KV pairs, as the attention is distracted by massive candidate pairs. Additionally, we found it promising to select representative tokens as probe-Query in each sliding window to effectively represent the entire context, which is an approach overlooked by existing methods. Thus, we propose ActQKV, a training-free, Activation-aware approach that dynamically determines probe-Query and leverages it to retrieve the relevant KV pairs for inference. Specifically, ActQKV monitors a token-level indicator, Activation Bias, within each context window, enabling the proper construction of probe-Query for retrieval at pre-filling stage. To accurately recall the relevant KV pairs and minimize the irrelevant ones, we design a dynamic KV cut-off mechanism guided by information density across layers at the decoding stage. Experiments on the Long-Bench and infty Benchmarks demonstrate its state-of-the-art performance with competitive inference quality and resource efficiency.

Correlation and Navigation in the Vocabulary Key Representation Space of Language Models

Language model (LM) decoding is based on the next-token prediction (NTP) probability distribution. For neural LMs (e.g., Transformer-based), NTP distribution is essentially a softmax-regularized dot product between an encoded input context (query) and fixed vocabulary representations (keys). In this paper, we study the effect of the key distribution on the NTP distribution, with a focus on whether the similarity between keys will trigger spurious correlations in NTP. Through knowledge-probing tasks, we show that in the NTP distribution, the few top-ranked tokens are typically accurate. However, the middle-ranked prediction is highly biased towards the tokens that are distributionally (not necessarily semantically) similar to these top ones. For instance, if "P" is predicted as the top-1 token, "A"-"Z" will all be ranked high in NTP, no matter whether they can lead to correct decoding results. This hurts the sampling diversity and makes the sampling of correct, long-tail results hopeless and noisy. We attempt to alleviate this issue via a novel in-context method that iteratively pushes the query representation away from explored regions. Specifically, we include the explored decoding results in the context and prompt the LM to generate something else, which encourages the LM to produce a query representation that has small dot products with explored keys. Experiments on knowledge-probing tasks show that our method leads to efficient navigation away from explored keys to correct new keys. We further extend our method to open-ended and chain-of-thought (for reasoning) generation. Experiment results show that ICN contributes to better generation diversity and improved self-consistency voting performance. Finally, we discuss potential training issues caused by the fixed key space together with the challenges and possible ways to address them in future research.

The Hyperfitting Phenomenon: Sharpening and Stabilizing LLMs for Open-Ended Text Generation

This paper introduces the counter-intuitive generalization results of overfitting pre-trained large language models (LLMs) on very small datasets. In the setting of open-ended text generation, it is well-documented that LLMs tend to generate repetitive and dull sequences, a phenomenon that is especially apparent when generating using greedy decoding. This issue persists even with state-of-the-art LLMs containing billions of parameters, trained via next-token prediction on large datasets. We find that by further fine-tuning these models to achieve a near-zero training loss on a small set of samples -- a process we refer to as hyperfitting -- the long-sequence generative capabilities are greatly enhanced. Greedy decoding with these Hyperfitted models even outperform Top-P sampling over long-sequences, both in terms of diversity and human preferences. This phenomenon extends to LLMs of various sizes, different domains, and even autoregressive image generation. We further find this phenomena to be distinctly different from that of Grokking and double descent. Surprisingly, our experiments indicate that hyperfitted models rarely fall into repeating sequences they were trained on, and even explicitly blocking these sequences results in high-quality output. All hyperfitted models produce extremely low-entropy predictions, often allocating nearly all probability to a single token.

Accelerated Test-Time Scaling with Model-Free Speculative Sampling

Language models have demonstrated remarkable capabilities in reasoning tasks through test-time scaling techniques like best-of-N sampling and tree search. However, these approaches often demand substantial computational resources, creating a critical trade-off between performance and efficiency. We introduce STAND (STochastic Adaptive N-gram Drafting), a novel model-free speculative decoding approach that leverages the inherent redundancy in reasoning trajectories to achieve significant acceleration without compromising accuracy. Our analysis reveals that reasoning paths frequently reuse similar reasoning patterns, enabling efficient model-free token prediction without requiring separate draft models. By introducing stochastic drafting and preserving probabilistic information through a memory-efficient logit-based N-gram module, combined with optimized Gumbel-Top-K sampling and data-driven tree construction, STAND significantly improves token acceptance rates. Extensive evaluations across multiple models and reasoning tasks (AIME-2024, GPQA-Diamond, and LiveCodeBench) demonstrate that STAND reduces inference latency by 60-65% compared to standard autoregressive decoding while maintaining accuracy. Furthermore, STAND outperforms state-of-the-art speculative decoding methods by 14-28% in throughput and shows strong performance even in single-trajectory scenarios, reducing inference latency by 48-58%. As a model-free approach, STAND can be applied to any existing language model without additional training, being a powerful plug-and-play solution for accelerating language model reasoning.

First Finish Search: Efficient Test-Time Scaling in Large Language Models

Test-time scaling (TTS), which involves dynamic allocation of compute during inference, offers a promising way to improve reasoning in large language models. While existing TTS methods work well, they often rely on long decoding paths or require a large number of samples to be generated, increasing the token usage and inference latency. We observe the surprising fact that for reasoning tasks, shorter traces are much more likely to be correct than longer ones. Motivated by this, we introduce First Finish Search (FFS), a training-free parallel decoding strategy that launches n independent samples and returns as soon as any one completes. We evaluate FFS alongside simple decoding, beam search, majority voting, and budget forcing on four reasoning models (DeepSeek-R1, R1-Distill-Qwen-32B, QwQ-32B and Phi-4-Reasoning-Plus) and across four datasets (AIME24, AIME25-I, AIME25-II and GPQA Diamond). With DeepSeek-R1, FFS achieves 82.23% accuracy on the AIME datasets, a 15% improvement over DeepSeek-R1's standalone accuracy, nearly matching OpenAI's o4-mini performance. Our theoretical analysis explains why stopping at the shortest trace is likely to yield a correct answer and identifies the conditions under which early stopping may be suboptimal. The elegance and simplicity of FFS demonstrate that straightforward TTS strategies can perform remarkably well, revealing the untapped potential of simple approaches at inference time.

Generating Structured Outputs from Language Models: Benchmark and Studies

Reliably generating structured outputs has become a critical capability for modern language model (LM) applications. Constrained decoding has emerged as the dominant technology across sectors for enforcing structured outputs during generation. Despite its growing adoption, little has been done with the systematic evaluation of the behaviors and performance of constrained decoding. Constrained decoding frameworks have standardized around JSON Schema as a structured data format, with most uses guaranteeing constraint compliance given a schema. However, there is poor understanding of the effectiveness of the methods in practice. We present an evaluation framework to assess constrained decoding approaches across three critical dimensions: efficiency in generating constraint-compliant outputs, coverage of diverse constraint types, and quality of the generated outputs. To facilitate this evaluation, we introduce JSONSchemaBench, a benchmark for constrained decoding comprising 10K real-world JSON schemas that encompass a wide range of constraints with varying complexity. We pair the benchmark with the existing official JSON Schema Test Suite and evaluate six state-of-the-art constrained decoding frameworks, including Guidance, Outlines, Llamacpp, XGrammar, OpenAI, and Gemini. Through extensive experiments, we gain insights into the capabilities and limitations of constrained decoding on structured generation with real-world JSON schemas. Our work provides actionable insights for improving constrained decoding frameworks and structured generation tasks, setting a new standard for evaluating constrained decoding and structured generation. We release JSONSchemaBench at https://github.com/guidance-ai/jsonschemabench

Read-ME: Refactorizing LLMs as Router-Decoupled Mixture of Experts with System Co-Design

The proliferation of large language models (LLMs) has led to the adoption of Mixture-of-Experts (MoE) architectures that dynamically leverage specialized subnetworks for improved efficiency and performance. Despite their benefits, MoE models face significant challenges during inference, including inefficient memory management and suboptimal batching, due to misaligned design choices between the model architecture and the system policies. Furthermore, the conventional approach of training MoEs from scratch is increasingly prohibitive in terms of cost. In this paper, we propose a novel framework Read-ME that transforms pre-trained dense LLMs into smaller MoE models (in contrast to "upcycling" generalist MoEs), avoiding the high costs of ground-up training. Our approach employs activation sparsity to extract experts. To compose experts, we examine the widely-adopted layer-wise router design and show its redundancy, and thus we introduce the pre-gating router decoupled from the MoE backbone that facilitates system-friendly pre-computing and lookahead scheduling, enhancing expert-aware batching and caching. Our codesign therefore addresses critical gaps on both the algorithmic and system fronts, establishing a scalable and efficient alternative for LLM inference in resource-constrained settings. Read-ME outperforms other popular open-source dense models of similar scales, achieving improvements of up to 10.1% on MMLU, and improving mean end-to-end latency up to 6.1%. Codes are available at: https://github.com/VITA-Group/READ-ME.

EvoPress: Towards Optimal Dynamic Model Compression via Evolutionary Search

The high computational costs of large language models (LLMs) have led to a flurry of research on LLM compression, via methods such as quantization, sparsification, or structured pruning. A new frontier in this area is given by dynamic, non-uniform compression methods, which adjust the compression levels (e.g., sparsity) per-block or even per-layer in order to minimize accuracy loss, while guaranteeing a global compression threshold. Yet, current methods rely on heuristics for identifying the "importance" of a given layer towards the loss, based on assumptions such as error monotonicity, i.e. that the end-to-end model compression error is proportional to the sum of layer-wise errors. In this paper, we revisit this area, and propose a new and general approach for dynamic compression that is provably optimal in a given input range. We begin from the motivating observation that, in general, error monotonicity does not hold for LLMs: compressed models with lower sum of per-layer errors can perform worse than models with higher error sums. To address this, we propose a new general evolutionary framework for dynamic LLM compression called EvoPress, which has provable convergence, and low sample and evaluation complexity. We show that these theoretical guarantees lead to highly competitive practical performance for dynamic compression of Llama, Mistral and Phi models. Via EvoPress, we set new state-of-the-art results across all compression approaches: structural pruning (block/layer dropping), unstructured sparsity, as well as quantization with dynamic bitwidths. Our code is available at https://github.com/IST-DASLab/EvoPress.

BlockFFN: Towards End-Side Acceleration-Friendly Mixture-of-Experts with Chunk-Level Activation Sparsity

To alleviate the computational burden of large language models (LLMs), architectures with activation sparsity, represented by mixture-of-experts (MoE), have attracted increasing attention. However, the non-differentiable and inflexible routing of vanilla MoE hurts model performance. Moreover, while each token activates only a few parameters, these sparsely-activated architectures exhibit low chunk-level sparsity, indicating that the union of multiple consecutive tokens activates a large ratio of parameters. Such a sparsity pattern is unfriendly for acceleration under low-resource conditions (e.g., end-side devices) and incompatible with mainstream acceleration techniques (e.g., speculative decoding). To address these challenges, we introduce a novel MoE architecture, BlockFFN, as well as its efficient training and deployment techniques. Specifically, we use a router integrating ReLU activation and RMSNorm for differentiable and flexible routing. Next, to promote both token-level sparsity (TLS) and chunk-level sparsity (CLS), CLS-aware training objectives are designed, making BlockFFN more acceleration-friendly. Finally, we implement efficient acceleration kernels, combining activation sparsity and speculative decoding for the first time. The experimental results demonstrate the superior performance of BlockFFN over other MoE baselines, achieving over 80% TLS and 70% 8-token CLS. Our kernels achieve up to 3.67times speedup on real end-side devices than dense models. All codes and checkpoints are available publicly (https://github.com/thunlp/BlockFFN).

Discrete Key-Value Bottleneck

Deep neural networks perform well on classification tasks where data streams are i.i.d. and labeled data is abundant. Challenges emerge with non-stationary training data streams such as continual learning. One powerful approach that has addressed this challenge involves pre-training of large encoders on volumes of readily available data, followed by task-specific tuning. Given a new task, however, updating the weights of these encoders is challenging as a large number of weights needs to be fine-tuned, and as a result, they forget information about the previous tasks. In the present work, we propose a model architecture to address this issue, building upon a discrete bottleneck containing pairs of separate and learnable key-value codes. Our paradigm will be to encode; process the representation via a discrete bottleneck; and decode. Here, the input is fed to the pre-trained encoder, the output of the encoder is used to select the nearest keys, and the corresponding values are fed to the decoder to solve the current task. The model can only fetch and re-use a sparse number of these key-value pairs during inference, enabling localized and context-dependent model updates. We theoretically investigate the ability of the discrete key-value bottleneck to minimize the effect of learning under distribution shifts and show that it reduces the complexity of the hypothesis class. We empirically verify the proposed method under challenging class-incremental learning scenarios and show that the proposed model - without any task boundaries - reduces catastrophic forgetting across a wide variety of pre-trained models, outperforming relevant baselines on this task.

DEL: Context-Aware Dynamic Exit Layer for Efficient Self-Speculative Decoding

Speculative Decoding (SD) is a widely used approach to accelerate the inference of large language models (LLMs) without reducing generation quality. It operates by first using a compact model to draft multiple tokens efficiently, followed by parallel verification using the target LLM. This approach leads to faster inference compared to auto-regressive decoding. While there are multiple approaches to create a draft model, one promising approach is to use early-exit methods. These methods draft candidate tokens by using a subset of layers of the primary model and applying the remaining layers for verification, allowing a single model to handle both drafting and verification. While this technique reduces memory usage and computational cost, its performance relies on the choice of the exit layer for drafting and the number of tokens drafted (speculation length) in each SD round. Prior works use hyperparameter exploration to statically select these values. However, our evaluations show that these hyperparameter values are task-specific, and even within a task they are dependent on the current sequence context. We introduce DEL, a plug-and-play method that adaptively selects the exit layer and speculation length during inference. DEL dynamically tracks the token acceptance rate if the tokens are drafted at each layer of an LLM and uses that knowledge to heuristically select the optimal exit layer and speculation length. Our experiments across a broad range of models and downstream tasks show that DEL achieves overall speedups of 2.16timessim2.50times over vanilla auto-regressive decoding and improves upon the state-of-the-art SD methods by up to 0.27times.

Minimum Entropy Coupling with Bottleneck

This paper investigates a novel lossy compression framework operating under logarithmic loss, designed to handle situations where the reconstruction distribution diverges from the source distribution. This framework is especially relevant for applications that require joint compression and retrieval, and in scenarios involving distributional shifts due to processing. We show that the proposed formulation extends the classical minimum entropy coupling framework by integrating a bottleneck, allowing for a controlled degree of stochasticity in the coupling. We explore the decomposition of the Minimum Entropy Coupling with Bottleneck (MEC-B) into two distinct optimization problems: Entropy-Bounded Information Maximization (EBIM) for the encoder, and Minimum Entropy Coupling (MEC) for the decoder. Through extensive analysis, we provide a greedy algorithm for EBIM with guaranteed performance, and characterize the optimal solution near functional mappings, yielding significant theoretical insights into the structural complexity of this problem. Furthermore, we illustrate the practical application of MEC-B through experiments in Markov Coding Games (MCGs) under rate limits. These games simulate a communication scenario within a Markov Decision Process, where an agent must transmit a compressed message from a sender to a receiver through its actions. Our experiments highlight the trade-offs between MDP rewards and receiver accuracy across various compression rates, showcasing the efficacy of our method compared to conventional compression baseline.

RetroMAE v2: Duplex Masked Auto-Encoder For Pre-Training Retrieval-Oriented Language Models

To better support retrieval applications such as web search and question answering, growing effort is made to develop retrieval-oriented language models. Most of the existing works focus on improving the semantic representation capability for the contextualized embedding of [CLS] token. However, recent study shows that the ordinary tokens besides [CLS] may provide extra information, which helps to produce a better representation effect. As such, it's necessary to extend the current methods where all contextualized embeddings can be jointly pre-trained for the retrieval tasks. With this motivation, we propose a new pre-training method: duplex masked auto-encoder, a.k.a. DupMAE, which targets on improving the semantic representation capacity for the contextualized embeddings of both [CLS] and ordinary tokens. It introduces two decoding tasks: one is to reconstruct the original input sentence based on the [CLS] embedding, the other one is to minimize the bag-of-words loss (BoW) about the input sentence based on the entire ordinary tokens' embeddings. The two decoding losses are added up to train a unified encoding model. The embeddings from [CLS] and ordinary tokens, after dimension reduction and aggregation, are concatenated as one unified semantic representation for the input. DupMAE is simple but empirically competitive: with a small decoding cost, it substantially contributes to the model's representation capability and transferability, where remarkable improvements are achieved on MS MARCO and BEIR benchmarks.

Chimera: A Lossless Decoding Method for Accelerating Large Language Models Inference by Fusing all Tokens

Large language models (LLMs) have demonstrated remarkable capabilities across various tasks. However, their widespread application is hindered by the resource-intensive decoding process. To address this challenge, current approaches have incorporated additional decoding heads to enable parallel prediction of multiple subsequent tokens, thereby achieving inference acceleration. Nevertheless, the accuracy of these decoding heads falls short of the auto-regressive decoding approach. In light of these limitations, we propose Chimera, a novel framework specifically designed for speculative sampling. Within this framework, we introduce a lightweight draft model that effectively utilizes previously generated tokens to predict subsequent words. To ensure both accuracy and efficiency, we present two strategies within the lightweight draft model. Firstly, we focus on capturing short-range dependencies at the bottom layer. Secondly, we leverage the readily available representations from the original LLM.Through empirical evaluation on the Vicuna and LlaMA-2 series, Chimera demonstrates impressive results, achieving an average latency speedup ratio of 2.7x compared to the vanilla auto-regressive decoding approach. This highlights the potential of our proposed framework in significantly improving the efficiency of large language models during the decoding process.

Efficient Controllable Multi-Task Architectures

We aim to train a multi-task model such that users can adjust the desired compute budget and relative importance of task performances after deployment, without retraining. This enables optimizing performance for dynamically varying user needs, without heavy computational overhead to train and save models for various scenarios. To this end, we propose a multi-task model consisting of a shared encoder and task-specific decoders where both encoder and decoder channel widths are slimmable. Our key idea is to control the task importance by varying the capacities of task-specific decoders, while controlling the total computational cost by jointly adjusting the encoder capacity. This improves overall accuracy by allowing a stronger encoder for a given budget, increases control over computational cost, and delivers high-quality slimmed sub-architectures based on user's constraints. Our training strategy involves a novel 'Configuration-Invariant Knowledge Distillation' loss that enforces backbone representations to be invariant under different runtime width configurations to enhance accuracy. Further, we present a simple but effective search algorithm that translates user constraints to runtime width configurations of both the shared encoder and task decoders, for sampling the sub-architectures. The key rule for the search algorithm is to provide a larger computational budget to the higher preferred task decoder, while searching a shared encoder configuration that enhances the overall MTL performance. Various experiments on three multi-task benchmarks (PASCALContext, NYUDv2, and CIFAR100-MTL) with diverse backbone architectures demonstrate the advantage of our approach. For example, our method shows a higher controllability by ~33.5% in the NYUD-v2 dataset over prior methods, while incurring much less compute cost.

InfAlign: Inference-aware language model alignment

Language model alignment has become a critical step in training modern generative language models. The goal of alignment is to finetune a reference model such that the win rate of a sample from the aligned model over a sample from the reference model is high, subject to a KL divergence constraint. Today, we are increasingly using inference-time algorithms (e.g., Best-of-N, controlled decoding, tree search) to decode from language models rather than standard sampling. However, the alignment objective does not capture such inference-time decoding procedures. We show that the existing alignment framework is sub-optimal in view of such inference-time methods. We then modify the alignment objective and propose a framework for inference-aware alignment (IAPO). We prove that for any inference-time decoding algorithm, the optimal solution that optimizes the inference-time win rate of the aligned policy against the reference policy is the solution to the typical RLHF problem with a transformation of the reward. This motivates us to provide the KL-regularized calibrate-and-transform RL (CTRL) algorithm to solve this problem, which involves a reward calibration step and a KL-regularized reward maximization step with a transformation of the calibrated reward. We particularize our study to two important inference-time strategies: best-of-N sampling and best-of-N jailbreaking, where N responses are sampled from the model and the one with the highest or lowest reward is selected. We propose specific transformations for these strategies and demonstrate that our framework offers significant improvements over existing state-of-the-art methods for language model alignment. Empirically, we outperform baselines that are designed without taking inference-time decoding into consideration by 8-12% and 4-9% on inference-time win rates over the Anthropic helpfulness and harmlessness dialog benchmark datasets.

Codebook Features: Sparse and Discrete Interpretability for Neural Networks

Understanding neural networks is challenging in part because of the dense, continuous nature of their hidden states. We explore whether we can train neural networks to have hidden states that are sparse, discrete, and more interpretable by quantizing their continuous features into what we call codebook features. Codebook features are produced by finetuning neural networks with vector quantization bottlenecks at each layer, producing a network whose hidden features are the sum of a small number of discrete vector codes chosen from a larger codebook. Surprisingly, we find that neural networks can operate under this extreme bottleneck with only modest degradation in performance. This sparse, discrete bottleneck also provides an intuitive way of controlling neural network behavior: first, find codes that activate when the desired behavior is present, then activate those same codes during generation to elicit that behavior. We validate our approach by training codebook Transformers on several different datasets. First, we explore a finite state machine dataset with far more hidden states than neurons. In this setting, our approach overcomes the superposition problem by assigning states to distinct codes, and we find that we can make the neural network behave as if it is in a different state by activating the code for that state. Second, we train Transformer language models with up to 410M parameters on two natural language datasets. We identify codes in these models representing diverse, disentangled concepts (ranging from negative emotions to months of the year) and find that we can guide the model to generate different topics by activating the appropriate codes during inference. Overall, codebook features appear to be a promising unit of analysis and control for neural networks and interpretability. Our codebase and models are open-sourced at https://github.com/taufeeque9/codebook-features.

Cautious Next Token Prediction

Next token prediction paradigm has been prevailing for autoregressive models in the era of LLMs. The current default sampling choice for popular LLMs is temperature scaling together with nucleus sampling to balance diversity and coherence. Nevertheless, such approach leads to inferior performance in various NLP tasks when the model is not certain about testing questions. To this end, we propose a brand new training-free decoding strategy, dubbed as Cautious Next Token Prediction (CNTP). In the decoding process, if the model has comparatively high prediction entropy at a certain step, we sample multiple trials starting from the step independently and stop when encountering any punctuation. Then we select the trial with the lowest perplexity score viewed as the most probable and reliable trial path given the model's capacity. The trial number is negatively correlated with the prediction confidence, i.e., the less confident the model is, the more trials it should sample. This is consistent with human beings' behaviour: when feeling uncertain or unconfident, one tends to think more creatively, exploring multiple thinking paths, to cautiously select the path one feels most confident about. Extensive experiments on both LLMs and MLLMs show that our proposed CNTP approach outperforms existing standard decoding strategies consistently by a clear margin. Moreover, the integration of CNTP with self consistency can further improve over vanilla self consistency. We believe our proposed CNTP has the potential to become one of the default choices for LLM decoding. Code is available at https://github.com/wyzjack/CNTP.

Return of the Encoder: Maximizing Parameter Efficiency for SLMs

The dominance of large decoder-only language models has overshadowed encoder-decoder architectures, despite their fundamental efficiency advantages in sequence processing. For small language models (SLMs) - those with 1 billion parameters or fewer - our systematic analysis across GPU, CPU, and NPU platforms reveals that encoder-decoder architectures achieve 47% lower first-token latency and 4.7x higher throughput compared to decoder-only models on edge devices. These gains may be attributed to encoder-decoder's one-time input processing and efficient separation of understanding and generation phases. We introduce a novel knowledge distillation framework that enables encoder-decoder models to leverage capabilities from large scalable decoder-only teachers while preserving their architectural advantages, achieving up to 6 average performance points improvement across diverse tasks, with significant gains in asymmetric sequence tasks where input and output distributions can benefit from different processing approaches. When combined with modern advances like Rotary Positional Embeddings (RoPE) and Vision encoders, our systematic investigation demonstrates that encoder-decoder architectures provide a more practical path toward deploying capable language models in resource-constrained environments. Our findings challenge the prevailing trend toward decoder-only scaling, showing that architectural choices become increasingly crucial as parameter budgets decrease, particularly for on-device and edge deployments where computational efficiency is paramount.