Daily Papers

Score-based diffusion models, while achieving remarkable empirical performance, often suffer from low sampling speed, due to extensive function evaluations needed during the sampling phase. Despite a flurry of recent activities towards speeding up diffusion generative modeling in practice, theoretical underpinnings for acceleration techniques remain severely limited. In this paper, we design novel training-free algorithms to accelerate popular deterministic (i.e., DDIM) and stochastic (i.e., DDPM) samplers. Our accelerated deterministic sampler converges at a rate O(1/{T}^2) with T the number of steps, improving upon the O(1/T) rate for the DDIM sampler; and our accelerated stochastic sampler converges at a rate O(1/T), outperforming the rate O(1/T) for the DDPM sampler. The design of our algorithms leverages insights from higher-order approximation, and shares similar intuitions as popular high-order ODE solvers like the DPM-Solver-2. Our theory accommodates ell_2-accurate score estimates, and does not require log-concavity or smoothness on the target distribution.

We develop a framework for non-asymptotic analysis of deterministic samplers used for diffusion generative modeling. Several recent works have analyzed stochastic samplers using tools like Girsanov's theorem and a chain rule variant of the interpolation argument. Unfortunately, these techniques give vacuous bounds when applied to deterministic samplers. We give a new operational interpretation for deterministic sampling by showing that one step along the probability flow ODE can be expressed as two steps: 1) a restoration step that runs gradient ascent on the conditional log-likelihood at some infinitesimally previous time, and 2) a degradation step that runs the forward process using noise pointing back towards the current iterate. This perspective allows us to extend denoising diffusion implicit models to general, non-linear forward processes. We then develop the first polynomial convergence bounds for these samplers under mild conditions on the data distribution.

We present a novel approach for generating minority samples that live on low-density regions of a data manifold. Our framework is built upon diffusion models, leveraging the principle of guided sampling that incorporates an arbitrary energy-based guidance during inference time. The key defining feature of our sampler lies in its self-contained nature, \ie, implementable solely with a pretrained model. This distinguishes our sampler from existing techniques that require expensive additional components (like external classifiers) for minority generation. Specifically, we first estimate the likelihood of features within an intermediate latent sample by evaluating a reconstruction loss w.r.t. its posterior mean. The generation then proceeds with the minimization of the estimated likelihood, thereby encouraging the emergence of minority features in the latent samples of subsequent timesteps. To further improve the performance of our sampler, we provide several time-scheduling techniques that properly manage the influence of guidance over inference steps. Experiments on benchmark real datasets demonstrate that our approach can greatly improve the capability of creating realistic low-likelihood minority instances over the existing techniques without the reliance on costly additional elements. Code is available at https://github.com/soobin-um/sg-minority.

Diffusion probabilistic models (DPMs) have achieved impressive success in visual generation. While, they suffer from slow inference speed due to iterative sampling. Employing fewer sampling steps is an intuitive solution, but this will also introduces discretization error. Existing fast samplers make inspiring efforts to reduce discretization error through the adoption of high-order solvers, potentially reaching a plateau in terms of optimization. This raises the question: can the sampling process be accelerated further? In this paper, we re-examine the nature of sampling errors, discerning that they comprise two distinct elements: the widely recognized discretization error and the less explored approximation error. Our research elucidates the dynamics between these errors and the step by implementing a dual-error disentanglement strategy. Building on these foundations, we introduce an unified and training-free acceleration framework, DualFast, designed to enhance the speed of DPM sampling by concurrently accounting for both error types, thereby minimizing the total sampling error. DualFast is seamlessly compatible with existing samplers and significantly boost their sampling quality and speed, particularly in extremely few sampling steps. We substantiate the effectiveness of our framework through comprehensive experiments, spanning both unconditional and conditional sampling domains, across both pixel-space and latent-space DPMs.

Sampling is ubiquitous in machine learning methodologies. Due to the growth of large datasets and model complexity, we want to learn and adapt the sampling process while training a representation. Towards achieving this grand goal, a variety of sampling techniques have been proposed. However, most of them either use a fixed sampling scheme or adjust the sampling scheme based on simple heuristics. They cannot choose the best sample for model training in different stages. Inspired by "Think, Fast and Slow" (System 1 and System 2) in cognitive science, we propose a reward-guided sampling strategy called Adaptive Sample with Reward (ASR) to tackle this challenge. To the best of our knowledge, this is the first work utilizing reinforcement learning (RL) to address the sampling problem in representation learning. Our approach optimally adjusts the sampling process to achieve optimal performance. We explore geographical relationships among samples by distance-based sampling to maximize overall cumulative reward. We apply ASR to the long-standing sampling problems in similarity-based loss functions. Empirical results in information retrieval and clustering demonstrate ASR's superb performance across different datasets. We also discuss an engrossing phenomenon which we name as "ASR gravity well" in experiments.

Deterministic inference is a comforting ideal in classical software: the same program on the same input should always produce the same output. As large language models move into real-world deployment, this ideal has been imported wholesale into inference stacks. Recent work from the Thinking Machines Lab has presented a detailed analysis of nondeterminism in LLM inference, showing how batch-invariant kernels and deterministic attention can enforce bitwise-identical outputs, positioning deterministic inference as a prerequisite for reproducibility and enterprise reliability. In this paper, we take the opposite stance. We argue that, for LLMs, deterministic inference kills. It kills the ability to model uncertainty, suppresses emergent abilities, collapses reasoning into a single brittle path, and weakens safety alignment by hiding tail risks. LLMs implement conditional distributions over outputs, not fixed functions. Collapsing these distributions to a single canonical completion may appear reassuring, but it systematically conceals properties central to artificial cognition. We instead advocate Stochastic CHAOS, treating distributional variability as a signal to be measured and controlled. Empirically, we show that deterministic inference is systematically misleading. Single-sample deterministic evaluation underestimates both capability and fragility, masking failure probability under paraphrases and noise. Phase-like transitions associated with emergent abilities disappear under greedy decoding. Multi-path reasoning degrades when forced onto deterministic backbones, reducing accuracy and diagnostic insight. Finally, deterministic evaluation underestimates safety risk by hiding rare but dangerous behaviors that appear only under multi-sample evaluation.

Large language models show great potential in generating and optimizing code. Widely used sampling methods such as Nucleus Sampling increase the diversity of generation but often produce repeated samples for low temperatures and incoherent samples for high temperatures. Furthermore, the temperature coefficient has to be tuned for each task, limiting its usability. We present Priority Sampling, a simple and deterministic sampling technique that produces unique samples ordered by the model's confidence. Each new sample expands the unexpanded token with the highest probability in the augmented search tree. Additionally, Priority Sampling supports generation based on regular expression that provides a controllable and structured exploration process. Priority Sampling outperforms Nucleus Sampling for any number of samples, boosting the performance of the original model from 2.87% to 5% improvement over -Oz. Moreover, it outperforms the autotuner used for the generation of labels for the training of the original model in just 30 samples.

Given a (machine learning) classifier and a collection of unlabeled data, how can we efficiently identify misclassification patterns presented in this dataset? To address this problem, we propose a human-machine collaborative framework that consists of a team of human annotators and a sequential recommendation algorithm. The recommendation algorithm is conceptualized as a stochastic sampler that, in each round, queries the annotators a subset of samples for their true labels and obtains the feedback information on whether the samples are misclassified. The sampling mechanism needs to balance between discovering new patterns of misclassification (exploration) and confirming the potential patterns of classification (exploitation). We construct a determinantal point process, whose intensity balances the exploration-exploitation trade-off through the weighted update of the posterior at each round to form the generator of the stochastic sampler. The numerical results empirically demonstrate the competitive performance of our framework on multiple datasets at various signal-to-noise ratios.

Repeated Sampling (RS) is a simple inference-time algorithm that has been shown to improve model performance on complex tasks. Although it is an effective way of scaling inference time, it often struggles to generate diverse solution candidates, frequently relying on the same underlying approach to solve the problem and thus producing redundant samples. To address this limitation, we propose a new inference algorithm, GuidedSampling, which decouples the exploration and generation phases during inference, increasing diversity of generated candidate solutions. The exploration phase identifies multiple concepts that can be utilized to solve the problem, while the generation phase applies a specific concept to provide final solution candidates. We first define the theoretical bounds of GuidedSampling and then empirically demonstrate that it improves the performance of base model at pass@50 by on an average ~21.6% across various benchmarks compared to RS. Furthermore, models trained on trajectories of GuidedSampling exhibit substantial performance improvements at pass@5 by on an average ~9.7%, compared to models trained on traditional RS. Additionally, models trained with GuidedSampling increases the average number of concepts per instance (1.67 -> 3.03), yielding a diverse set of candidates than traditional RS.

Determinantal point processes (DPPs) are a useful probabilistic model for selecting a small diverse subset out of a large collection of items, with applications in summarization, stochastic optimization, active learning and more. Given a kernel function and a subset size k, our goal is to sample k out of n items with probability proportional to the determinant of the kernel matrix induced by the subset (a.k.a. k-DPP). Existing k-DPP sampling algorithms require an expensive preprocessing step which involves multiple passes over all n items, making it infeasible for large datasets. A naïve heuristic addressing this problem is to uniformly subsample a fraction of the data and perform k-DPP sampling only on those items, however this method offers no guarantee that the produced sample will even approximately resemble the target distribution over the original dataset. In this paper, we develop an algorithm which adaptively builds a sufficiently large uniform sample of data that is then used to efficiently generate a smaller set of k items, while ensuring that this set is drawn exactly from the target distribution defined on all n items. We show empirically that our algorithm produces a k-DPP sample after observing only a small fraction of all elements, leading to several orders of magnitude faster performance compared to the state-of-the-art.

Recent years have witnessed the rapid progress and broad application of diffusion probabilistic models (DPMs). Sampling from DPMs can be viewed as solving an ordinary differential equation (ODE). Despite the promising performance, the generation of DPMs usually consumes much time due to the large number of function evaluations (NFE). Though recent works have accelerated the sampling to around 20 steps with high-order solvers, the sample quality with less than 10 NFE can still be improved. In this paper, we propose a unified sampling framework (USF) to study the optional strategies for solver. Under this framework, we further reveal that taking different solving strategies at different timesteps may help further decrease the truncation error, and a carefully designed solver schedule has the potential to improve the sample quality by a large margin. Therefore, we propose a new sampling framework based on the exponential integral formulation that allows free choices of solver strategy at each step and design specific decisions for the framework. Moreover, we propose S^3, a predictor-based search method that automatically optimizes the solver schedule to get a better time-quality trade-off of sampling. We demonstrate that S^3 can find outstanding solver schedules which outperform the state-of-the-art sampling methods on CIFAR-10, CelebA, ImageNet, and LSUN-Bedroom datasets. Specifically, we achieve 2.69 FID with 10 NFE and 6.86 FID with 5 NFE on CIFAR-10 dataset, outperforming the SOTA method significantly. We further apply S^3 to Stable-Diffusion model and get an acceleration ratio of 2times, showing the feasibility of sampling in very few steps without retraining the neural network.

We study the complexity of sampling from a distribution over all index subsets of the set {1,...,n} with the probability of a subset S proportional to the determinant of the submatrix L_S of some ntimes n p.s.d. matrix L, where L_S corresponds to the entries of L indexed by S. Known as a determinantal point process, this distribution is used in machine learning to induce diversity in subset selection. In practice, we often wish to sample multiple subsets S with small expected size k = E[|S|] ll n from a very large matrix L, so it is important to minimize the preprocessing cost of the procedure (performed once) as well as the sampling cost (performed repeatedly). For this purpose, we propose a new algorithm which, given access to L, samples exactly from a determinantal point process while satisfying the following two properties: (1) its preprocessing cost is n cdot poly(k), i.e., sublinear in the size of L, and (2) its sampling cost is poly(k), i.e., independent of the size of L. Prior to our results, state-of-the-art exact samplers required O(n^3) preprocessing time and sampling time linear in n or dependent on the spectral properties of L. We also give a reduction which allows using our algorithm for exact sampling from cardinality constrained determinantal point processes with ncdotpoly(k) time preprocessing.

Speculative sampling has emerged as an important technique for accelerating the auto-regressive generation process of large language models (LLMs) by utilizing a draft-then-verify mechanism to produce multiple tokens per forward pass. While state-of-the-art speculative sampling methods use only a single layer and a language modeling (LM) head as the draft model to achieve impressive layer compression, their efficiency gains are substantially reduced for large-vocabulary LLMs, such as Llama-3-8B with a vocabulary of 128k tokens. To address this, we present FR-Spec, a frequency-ranked speculative sampling framework that optimizes draft candidate selection through vocabulary space compression. By constraining the draft search to a frequency-prioritized token subset, our method reduces LM Head computation overhead by 75% while ensuring the equivalence of the final output distribution. Experiments across multiple datasets demonstrate an average of 1.12times speedup over the state-of-the-art speculative sampling method EAGLE-2.

LLMs are widely used for code generation and mathematical reasoning tasks where they are required to generate structured output. They either need to reason about code, generate code for a given specification, or reason using programs of thought. The typical approach to code generation is to prompt the model and generate samples until an appropriate program is obtained. Within this process, sampling n programs from the language model requires n GPU compute-intensive generations which becomes prohibitively expensive for larger values of n. In this work, we address this limitation by exposing the LLM's distribution within the generated programs themselves. We propose a novel test-time framework we dub probabilistic programs of thought to obtain more samples from the model with fewer LLM generations. Given a program generated by a model and the associated next-token probabilities, we build a probabilistic program that compactly represents exponentially many deterministic programs. Since performing probabilistic reasoning in this probabilistic program is much cheaper, our approach allows sampling new programs without any additional GPU compute and little CPU overhead. We instantiate our approach on benchmarks for code generation, code understanding and mathematical reasoning and report improvements in performance with fewer generations from the LLM.

FSampler is a training free, sampler agnostic execution layer that accelerates diffusion sampling by reducing the number of function evaluations (NFE). FSampler maintains a short history of denoising signals (epsilon) from recent real model calls and extrapolates the next epsilon using finite difference predictors at second order, third order, or fourth order, falling back to lower order when history is insufficient. On selected steps the predicted epsilon substitutes the model call while keeping each sampler's update rule unchanged. Predicted epsilons are validated for finiteness and magnitude; a learning stabilizer rescales predictions on skipped steps to correct drift, and an optional gradient estimation stabilizer compensates local curvature. Protected windows, periodic anchors, and a cap on consecutive skips bound deviation over the trajectory. Operating at the sampler level, FSampler integrates with Euler/DDIM, DPM++ 2M/2S, LMS/AB2, and RES family exponential multistep methods and drops into standard workflows. FLUX.1 dev, Qwen Image, and Wan 2.2, FSampler reduces time by 8 to 22% and model calls by 15 to 25% at high fidelity (Structural Similarity Index (SSIM) 0.95 to 0.99), without altering sampler formulas. With an aggressive adaptive gate, reductions can reach 45 to 50% fewer model calls at lower fidelity (SSIM 0.73 to 0.74).

Discrete diffusion models (DDMs) have shown powerful generation ability for discrete data modalities like text and molecules. However, their practical application is hindered by inefficient sampling, requiring a large number of sampling steps. Accelerating DDMs by using larger step sizes typically introduces significant problems in generation quality, as it amplifies the impact of both the compounding decoding error due to factorized predictions and discretization error from numerical approximations, leading to a significant decrease in sampling quality. To address these challenges, we propose learnable sampler distillation (LSD), a novel approach to train fast and high-fidelity samplers for DDMs. LSD employs a distillation approach where a student sampler with a few steps learns to align its intermediate score trajectory with that of a high-quality teacher sampler with numerous steps. This alignment is achieved by optimizing learnable sampler coefficients that adaptively adjust sampling dynamics. Additionally, we further propose LSD+, which also learns time schedules that allocate steps non-uniformly. Experiments across text generation, image generation, and synthetic tasks demonstrate that our proposed approaches outperform existing samplers for DDMs, achieving substantially higher sampling quality with significantly fewer sampling steps. Our code is available at https://github.com/feiyangfu/LSD{https://github.com/feiyangfu/LSD}.

Diffusion probabilistic models (DPMs) have achieved impressive success in high-resolution image synthesis, especially in recent large-scale text-to-image generation applications. An essential technique for improving the sample quality of DPMs is guided sampling, which usually needs a large guidance scale to obtain the best sample quality. The commonly-used fast sampler for guided sampling is DDIM, a first-order diffusion ODE solver that generally needs 100 to 250 steps for high-quality samples. Although recent works propose dedicated high-order solvers and achieve a further speedup for sampling without guidance, their effectiveness for guided sampling has not been well-tested before. In this work, we demonstrate that previous high-order fast samplers suffer from instability issues, and they even become slower than DDIM when the guidance scale grows large. To further speed up guided sampling, we propose DPM-Solver++, a high-order solver for the guided sampling of DPMs. DPM-Solver++ solves the diffusion ODE with the data prediction model and adopts thresholding methods to keep the solution matches training data distribution. We further propose a multistep variant of DPM-Solver++ to address the instability issue by reducing the effective step size. Experiments show that DPM-Solver++ can generate high-quality samples within only 15 to 20 steps for guided sampling by pixel-space and latent-space DPMs.

Diffusion models suffer from slow sample generation at inference time. Therefore, developing a principled framework for fast deterministic/stochastic sampling for a broader class of diffusion models is a promising direction. We propose two complementary frameworks for accelerating sample generation in pre-trained models: Conjugate Integrators and Splitting Integrators. Conjugate integrators generalize DDIM, mapping the reverse diffusion dynamics to a more amenable space for sampling. In contrast, splitting-based integrators, commonly used in molecular dynamics, reduce the numerical simulation error by cleverly alternating between numerical updates involving the data and auxiliary variables. After extensively studying these methods empirically and theoretically, we present a hybrid method that leads to the best-reported performance for diffusion models in augmented spaces. Applied to Phase Space Langevin Diffusion [Pandey & Mandt, 2023] on CIFAR-10, our deterministic and stochastic samplers achieve FID scores of 2.11 and 2.36 in only 100 network function evaluations (NFE) as compared to 2.57 and 2.63 for the best-performing baselines, respectively. Our code and model checkpoints will be made publicly available at https://github.com/mandt-lab/PSLD.

Recent advances in masked diffusion models (MDMs) have established them as powerful non-autoregressive alternatives for sequence generation. Nevertheless, our preliminary experiments reveal that the generation quality of MDMs is still highly sensitive to the choice of decoding strategy. In particular, widely adopted uncertainty-based samplers suffer from two key limitations: a lack of global trajectory control and a pronounced bias toward trivial tokens in the early stages of decoding. These shortcomings restrict the full potential of MDMs. In this work, we introduce Position-Aware Confidence-Calibrated Sampling (PC-Sampler), a novel decoding strategy that unifies global trajectory planning with content-aware informativeness maximization. PC-Sampler incorporates a position-aware weighting mechanism to regulate the decoding path and a calibrated confidence score to suppress the premature selection of trivial tokens. Extensive experiments on three advanced MDMs across seven challenging benchmarks-including logical reasoning and planning tasks-demonstrate that PC-Sampler consistently outperforms existing MDM decoding strategies by more than 10% on average, significantly narrowing the performance gap with state-of-the-art autoregressive models. All codes are available at https://github.com/NEUIR/PC-Sampler.

We present speculative sampling, an algorithm for accelerating transformer decoding by enabling the generation of multiple tokens from each transformer call. Our algorithm relies on the observation that the latency of parallel scoring of short continuations, generated by a faster but less powerful draft model, is comparable to that of sampling a single token from the larger target model. This is combined with a novel modified rejection sampling scheme which preserves the distribution of the target model within hardware numerics. We benchmark speculative sampling with Chinchilla, a 70 billion parameter language model, achieving a 2-2.5x decoding speedup in a distributed setup, without compromising the sample quality or making modifications to the model itself.

Determinantal point processes (DPPs) are distributions over sets of items that model diversity using kernels. Their applications in machine learning include summary extraction and recommendation systems. Yet, the cost of sampling from a DPP is prohibitive in large-scale applications, which has triggered an effort towards efficient approximate samplers. We build a novel MCMC sampler that combines ideas from combinatorial geometry, linear programming, and Monte Carlo methods to sample from DPPs with a fixed sample cardinality, also called projection DPPs. Our sampler leverages the ability of the hit-and-run MCMC kernel to efficiently move across convex bodies. Previous theoretical results yield a fast mixing time of our chain when targeting a distribution that is close to a projection DPP, but not a DPP in general. Our empirical results demonstrate that this extends to sampling projection DPPs, i.e., our sampler is more sample-efficient than previous approaches which in turn translates to faster convergence when dealing with costly-to-evaluate functions, such as summary extraction in our experiments.

Diffusion probabilistic models (DPMs) have shown remarkable performance in visual synthesis but are computationally expensive due to the need for multiple evaluations during the sampling. Recent predictor-corrector diffusion samplers have significantly reduced the required number of function evaluations (NFE), but inherently suffer from a misalignment issue caused by the extra corrector step, especially with a large classifier-free guidance scale (CFG). In this paper, we introduce a new fast DPM sampler called DC-Solver, which leverages dynamic compensation (DC) to mitigate the misalignment of the predictor-corrector samplers. The dynamic compensation is controlled by compensation ratios that are adaptive to the sampling steps and can be optimized on only 10 datapoints by pushing the sampling trajectory toward a ground truth trajectory. We further propose a cascade polynomial regression (CPR) which can instantly predict the compensation ratios on unseen sampling configurations. Additionally, we find that the proposed dynamic compensation can also serve as a plug-and-play module to boost the performance of predictor-only samplers. Extensive experiments on both unconditional sampling and conditional sampling demonstrate that our DC-Solver can consistently improve the sampling quality over previous methods on different DPMs with a wide range of resolutions up to 1024times1024. Notably, we achieve 10.38 FID (NFE=5) on unconditional FFHQ and 0.394 MSE (NFE=5, CFG=7.5) on Stable-Diffusion-2.1. Code is available at https://github.com/wl-zhao/DC-Solver

Diffusion models deliver high-fidelity synthesis but remain slow due to iterative sampling. We empirically observe there exists feature invariance in deterministic sampling, and present InvarDiff, a training-free acceleration method that exploits the relative temporal invariance across timestep-scale and layer-scale. From a few deterministic runs, we compute a per-timestep, per-layer, per-module binary cache plan matrix and use a re-sampling correction to avoid drift when consecutive caches occur. Using quantile-based change metrics, this matrix specifies which module at which step is reused rather than recomputed. The same invariance criterion is applied at the step scale to enable cross-timestep caching, deciding whether an entire step can reuse cached results. During inference, InvarDiff performs step-first and layer-wise caching guided by this matrix. When applied to DiT and FLUX, our approach reduces redundant compute while preserving fidelity. Experiments show that InvarDiff achieves 2-3times end-to-end speed-ups with minimal impact on standard quality metrics. Qualitatively, we observe almost no degradation in visual quality compared with full computations.

Current evaluations of large language models (LLMs) often overlook non-determinism, typically focusing on a single output per example. This limits our understanding of LLM performance variability in real-world applications. Our study addresses this issue by exploring key questions about the performance differences between greedy decoding and sampling, identifying benchmarks' consistency regarding non-determinism, and examining unique model behaviors. Through extensive experiments, we observe that greedy decoding generally outperforms sampling methods for most evaluated tasks. We also observe consistent performance across different LLM sizes and alignment methods, noting that alignment can reduce sampling variance. Moreover, our best-of-N sampling approach demonstrates that smaller LLMs can match or surpass larger models such as GPT-4-Turbo, highlighting the untapped potential of smaller LLMs. This research shows the importance of considering non-determinism in LLM evaluations and provides insights for future LLM development and evaluation.

Polar slice sampling (Roberts & Rosenthal, 2002) is a Markov chain approach for approximate sampling of distributions that is difficult, if not impossible, to implement efficiently, but behaves provably well with respect to the dimension. By updating the directional and radial components of chain iterates separately, we obtain a family of samplers that mimic polar slice sampling, and yet can be implemented efficiently. Numerical experiments in a variety of settings indicate that our proposed algorithm outperforms the two most closely related approaches, elliptical slice sampling (Murray et al., 2010) and hit-and-run uniform slice sampling (MacKay, 2003). We prove the well-definedness and convergence of our methods under suitable assumptions on the target distribution.

Diffusion large language models (dLLMs) have recently drawn considerable attention within the research community as a promising alternative to autoregressive generation, offering parallel token prediction and lower inference latency. Yet, their parallel decoding potential remains largely underexplored, as existing open-source models still require nearly token-length decoding steps to ensure performance. To address this, we introduce dParallel, a simple and effective method that unlocks the inherent parallelism of dLLMs for fast sampling. We identify that the key bottleneck to parallel decoding arises from the sequential certainty convergence for masked tokens. Building on this insight, we introduce the core of our approach: certainty-forcing distillation, a novel training strategy that distills the model to follow its original sampling trajectories while enforcing it to achieve high certainty on masked tokens more rapidly and in parallel. Extensive experiments across various benchmarks demonstrate that our method can dramatically reduce the number of decoding steps while maintaining performance. When applied to the LLaDA-8B-Instruct model, dParallel reduces decoding steps from 256 to 30 on GSM8K, achieving an 8.5x speedup without performance degradation. On the MBPP benchmark, it cuts decoding steps from 256 to 24, resulting in a 10.5x speedup while maintaining accuracy. Our code is available at https://github.com/czg1225/dParallel

Instruction tuning has emerged as a critical paradigm for improving the capabilities and alignment of large language models (LLMs). However, existing iterative model-aware data selection methods incur significant computational overhead, as they rely on repeatedly performing full-dataset model inference to estimate sample utility for subsequent training iterations, creating a fundamental efficiency bottleneck. In this paper, we propose LEAD, an efficient iterative data selection framework that accurately estimates sample utility entirely within the standard training loop, eliminating the need for costly additional model inference. At its core, LEAD introduces Instance-Level Dynamic Uncertainty (IDU), a theoretically grounded utility function combining instantaneous training loss, gradient-based approximation of loss changes, and exponential smoothing of historical loss signals. To further scale efficiently to large datasets, LEAD employs a two-stage, coarse-to-fine selection strategy, adaptively prioritizing informative clusters through a multi-armed bandit mechanism, followed by precise fine-grained selection of high-utility samples using IDU. Extensive experiments across four diverse benchmarks show that LEAD significantly outperforms state-of-the-art methods, improving average model performance by 6.1%-10.8% while using only 2.5% of the training data and reducing overall training time by 5-10x.

We derive a minimalist but powerful deterministic denoising-diffusion model. While denoising diffusion has shown great success in many domains, its underlying theory remains largely inaccessible to non-expert users. Indeed, an understanding of graduate-level concepts such as Langevin dynamics or score matching appears to be required to grasp how it works. We propose an alternative approach that requires no more than undergrad calculus and probability. We consider two densities and observe what happens when random samples from these densities are blended (linearly interpolated). We show that iteratively blending and deblending samples produces random paths between the two densities that converge toward a deterministic mapping. This mapping can be evaluated with a neural network trained to deblend samples. We obtain a model that behaves like deterministic denoising diffusion: it iteratively maps samples from one density (e.g., Gaussian noise) to another (e.g., cat images). However, compared to the state-of-the-art alternative, our model is simpler to derive, simpler to implement, more numerically stable, achieves higher quality results in our experiments, and has interesting connections to computer graphics.

We study the design of sample-efficient algorithms for reinforcement learning in the presence of rich, high-dimensional observations, formalized via the Block MDP problem. Existing algorithms suffer from either 1) computational intractability, 2) strong statistical assumptions that are not necessarily satisfied in practice, or 3) suboptimal sample complexity. We address these issues by providing the first computationally efficient algorithm that attains rate-optimal sample complexity with respect to the desired accuracy level, with minimal statistical assumptions. Our algorithm, MusIK, combines systematic exploration with representation learning based on multi-step inverse kinematics, a learning objective in which the aim is to predict the learner's own action from the current observation and observations in the (potentially distant) future. MusIK is simple and flexible, and can efficiently take advantage of general-purpose function approximation. Our analysis leverages several new techniques tailored to non-optimistic exploration algorithms, which we anticipate will find broader use.

Diffusion probabilistic models (DPMs) have exhibited excellent performance for high-fidelity image generation while suffering from inefficient sampling. Recent works accelerate the sampling procedure by proposing fast ODE solvers that leverage the specific ODE form of DPMs. However, they highly rely on specific parameterization during inference (such as noise/data prediction), which might not be the optimal choice. In this work, we propose a novel formulation towards the optimal parameterization during sampling that minimizes the first-order discretization error of the ODE solution. Based on such formulation, we propose DPM-Solver-v3, a new fast ODE solver for DPMs by introducing several coefficients efficiently computed on the pretrained model, which we call empirical model statistics. We further incorporate multistep methods and a predictor-corrector framework, and propose some techniques for improving sample quality at small numbers of function evaluations (NFE) or large guidance scales. Experiments show that DPM-Solver-v3 achieves consistently better or comparable performance in both unconditional and conditional sampling with both pixel-space and latent-space DPMs, especially in 5sim10 NFEs. We achieve FIDs of 12.21 (5 NFE), 2.51 (10 NFE) on unconditional CIFAR10, and MSE of 0.55 (5 NFE, 7.5 guidance scale) on Stable Diffusion, bringing a speed-up of 15\%sim30\% compared to previous state-of-the-art training-free methods. Code is available at https://github.com/thu-ml/DPM-Solver-v3.

This work presents self-rewarding sequential Monte Carlo (SMC), an inference-time scaling algorithm enabling effective sampling of masked diffusion language models (MDLMs). Our algorithm stems from the observation that most existing MDLMs rely on a confidence-based sampling strategy, where only tokens with the highest prediction confidence are preserved at each step. This restricts the generation to a noise-sensitive, greedy decoding paradigm, resulting in an inevitable collapse in the diversity of possible paths. We address this problem by launching multiple interacting diffusion processes in parallel, referred to as particles, for trajectory exploration. Importantly, we introduce the trajectory-level confidence as a self-rewarding signal for assigning particle importance weights. During sampling, particles are iteratively weighted and resampled to systematically steer generation towards globally confident, high-quality samples. Our self-rewarding SMC is verified on various masked diffusion language models and benchmarks, achieving significant improvement without extra training or reward guidance, while effectively converting parallel inference capacity into improved sampling quality. Our code is available at https://github.com/Algolzw/self-rewarding-smc.

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.

Inference-time optimization scales computation to derive deliberate reasoning steps for effective performance. While previous search-based strategies address the short-sightedness of auto-regressive generation, the vast search space leads to excessive exploration and insufficient exploitation. To strike an efficient balance to derive the optimal step, we frame the decoding strategy as foresight sampling, leveraging simulated future steps to obtain globally optimal step estimation. Built on it, we propose a novel decoding strategy, named phi-Decoding. To provide a precise and expressive estimation of step value, phi-Decoding approximates two distributions via foresight and clustering. Sampling from the joint distribution, the optimal steps can be selected for exploitation. To support adaptive computation allocation, we propose in-width and in-depth pruning strategies, featuring a light-weight solution to achieve inference efficiency. Extensive experiments across seven benchmarks show phi-Decoding outperforms strong baselines in both performance and efficiency. Additional analysis demonstrates its generalization across various LLMs and scalability across a wide range of computing budgets. The code will be released at https://github.com/xufangzhi/phi-Decoding, and the open-source PyPI package is coming soon.

In this study, we propose Shortcut Fine-Tuning (SFT), a new approach for addressing the challenge of fast sampling of pretrained Denoising Diffusion Probabilistic Models (DDPMs). SFT advocates for the fine-tuning of DDPM samplers through the direct minimization of Integral Probability Metrics (IPM), instead of learning the backward diffusion process. This enables samplers to discover an alternative and more efficient sampling shortcut, deviating from the backward diffusion process. Inspired by a control perspective, we propose a new algorithm SFT-PG: Shortcut Fine-Tuning with Policy Gradient, and prove that under certain assumptions, gradient descent of diffusion models with respect to IPM is equivalent to performing policy gradient. To our best knowledge, this is the first attempt to utilize reinforcement learning (RL) methods to train diffusion models. Through empirical evaluation, we demonstrate that our fine-tuning method can further enhance existing fast DDPM samplers, resulting in sample quality comparable to or even surpassing that of the full-step model across various datasets.

Inference-time computation is a powerful paradigm to enhance the performance of large language models (LLMs), with Best-of-N sampling being a widely used technique. However, this method is computationally expensive, requiring both (1) an external reward model and (2) the generation of multiple samples. In this work, we introduce a new generative self-evaluation scheme designed to adaptively reduce the number of generated samples while maintaining or even improving performance. We use a generative reward model formulation, allowing the LLM to predict mid-generation the probability that restarting the generation will yield a better response. These predictions are obtained without an external reward model and can be used to decide whether or not to generate more samples, prune unpromising samples early on, or to pick the best sample. This capability is very inexpensive as it involves generating a single predefined token. Trained using a dataset constructed with real unfiltered LMSYS user prompts, Llama 3.1 8B's win rate against GPT-4 on AlpacaEval increases from 21% to 34% with 16 samples and math performance on GSM8K improves from 84% to 91%. By sampling only when the LLM determines that it is beneficial to do so and adaptively adjusting temperature annealing, we demonstrate that 74% of the improvement from using 16 samples can be achieved with only 1.2 samples on average. We further demonstrate that 50-75% of samples can be pruned early in generation with minimal degradation in performance. Overall, our methods enable more efficient and scalable compute utilization during inference for LLMs.

The recent advent of powerful video generation models, such as Hunyuan, WanX, Veo3, and Kling, has inaugurated a new era in the field. However, the practical deployment of these models is severely impeded by their substantial computational overhead, which stems from enormous parameter counts and the iterative, multi-step sampling process required during inference. Prior research on accelerating generative models has predominantly followed two distinct trajectories: reducing the number of sampling steps (e.g., LCM, DMD, and MagicDistillation) or compressing the model size for more efficient inference (e.g., ICMD). The potential of simultaneously compressing both to create a fast and lightweight model remains an unexplored avenue. In this paper, we propose FastLightGen, an algorithm that transforms large, computationally expensive models into fast, lightweight counterparts. The core idea is to construct an optimal teacher model, one engineered to maximize student performance, within a synergistic framework for distilling both model size and inference steps. Our extensive experiments on HunyuanVideo-ATI2V and WanX-TI2V reveal that a generator using 4-step sampling and 30\% parameter pruning achieves optimal visual quality under a constrained inference budget. Furthermore, FastLightGen consistently outperforms all competing methods, establishing a new state-of-the-art in efficient video generation.

Sampling-based algorithms, which eliminate ''unimportant'' computations during forward and/or back propagation (BP), offer potential solutions to accelerate neural network training. However, since sampling introduces approximations to training, such algorithms may not consistently maintain accuracy across various tasks. In this work, we introduce a variance-controlled adaptive sampling (VCAS) method designed to accelerate BP. VCAS computes an unbiased stochastic gradient with fine-grained layerwise importance sampling in data dimension for activation gradient calculation and leverage score sampling in token dimension for weight gradient calculation. To preserve accuracy, we control the additional variance by learning the sample ratio jointly with model parameters during training. We assessed VCAS on multiple fine-tuning and pre-training tasks in both vision and natural language domains. On all the tasks, VCAS can preserve the original training loss trajectory and validation accuracy with an up to 73.87% FLOPs reduction of BP and 49.58% FLOPs reduction of the whole training process. The implementation is available at https://github.com/thu-ml/VCAS .

The fastrerandomize R package provides hardware-accelerated tools for performing rerandomization and randomization testing in experimental research. Using a JAX backend, the package enables exact rerandomization inference even for large experiments with hundreds of billions of possible randomizations. Key functionalities include generating pools of acceptable rerandomizations based on covariate balance, conducting exact randomization tests, and performing pre-analysis evaluations to determine optimal rerandomization acceptance thresholds. Through batched processing and GPU acceleration, fastrerandomize achieves substantial performance gains compared to existing implementations, making previously intractable designs computationally feasible. The package therefore extends the randomization-based inference toolkit in R, allowing researchers to efficiently implement more stringent rerandomization designs and conduct valid inference even with large sample sizes or in high-dimensional settings.

Auto-regressive decoding makes the inference of Large Language Models (LLMs) time-consuming. We propose a simple framework, EAGLE (Extrapolation Algorithm for Greater Language-model Efficiency), for lossless acceleration. Unlike traditional speculative sampling methods, EAGLE operates the drafting process auto-regressively at the more regular (second-top-layer) feature level and addresses the sampling uncertainty issues in the next-feature prediction problems by integrating tokens from one time step ahead. The acceleration provided by EAGLE is lossless: it involves no fine-tuning of the target LLM, and the generated text maintains the same distribution as that of vanilla auto-regressive decoding. As of the submission of this paper, EAGLE is the fastest known framework within the speculative sampling family. On MT-bench, EAGLE is 3x faster than vanilla decoding, 2x faster than Lookahead, and 1.6x faster than Medusa. Using gpt-fast, EAGLE attains on average 160 tokens/s with LLaMA2-Chat 13B on a single RTX 3090 GPU, compared to 24 tokens/s of Huggingface's implementations.

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e.g. for composing multiple pretrained models. Existing classifier-free guidance methods use a simple heuristic to mix conditional and unconditional scores to approximately sample from conditional distributions. However, such methods do not approximate the intermediate distributions, necessitating additional 'corrector' steps. In this work, we provide an efficient and principled method for sampling from a sequence of annealed, geometric-averaged, or product distributions derived from pretrained score-based models. We derive a weighted simulation scheme which we call Feynman-Kac Correctors (FKCs) based on the celebrated Feynman-Kac formula by carefully accounting for terms in the appropriate partial differential equations (PDEs). To simulate these PDEs, we propose Sequential Monte Carlo (SMC) resampling algorithms that leverage inference-time scaling to improve sampling quality. We empirically demonstrate the utility of our methods by proposing amortized sampling via inference-time temperature annealing, improving multi-objective molecule generation using pretrained models, and improving classifier-free guidance for text-to-image generation. Our code is available at https://github.com/martaskrt/fkc-diffusion.

We study the deterministic global optimization of trained Gaussian process posterior mean functions over hyperrectangular domains. Although the posterior mean function has a compact closed-form representation, its global optimization is challenging because it remains nonlinear and nonconvex. Existing exact deterministic approaches become increasingly difficult to scale as the number of training data points grows, leading to approximation-based methods that improve tractability by optimizing a modified (inexact) objective. In this work, we propose PALM-Mean, a piecewise-analytic lower-bounding framework embedded in reduced-space spatial branch-and-bound. At each node, kernel terms that are locally important are replaced by a sign-aware piecewise-linear relaxation in an appropriate scalar distance variable, while the remaining terms are bounded analytically in closed form. We show this hybrid approach yields a valid lower bound for the posterior mean, while limiting the size of the branch-and-bound subproblems. We establish validity of the node lower bounds and varepsilon-global convergence of the resulting algorithm. Computational results on synthetic benchmarks and real-world application problems show that PALM-Mean improves scalability relative to representative general-purpose deterministic global solvers, particularly as the number of training data points increases.

We study the problem of learning a neural sampler to generate samples from discrete state spaces where the target probability mass function piproptoe^{-U} is known up to a normalizing constant, which is an important task in fields such as statistical physics, machine learning, combinatorial optimization, etc. To better address this challenging task when the state space has a large cardinality and the distribution is multi-modal, we propose Masked Diffusion Neural Sampler (MDNS), a novel framework for training discrete neural samplers by aligning two path measures through a family of learning objectives, theoretically grounded in the stochastic optimal control of the continuous-time Markov chains. We validate the efficiency and scalability of MDNS through extensive experiments on various distributions with distinct statistical properties, where MDNS learns to accurately sample from the target distributions despite the extremely high problem dimensions and outperforms other learning-based baselines by a large margin. A comprehensive study of ablations and extensions is also provided to demonstrate the efficacy and potential of the proposed framework.

Large language models (LLMs) are often equipped with multi-sample decoding strategies. An LLM implicitly defines an arithmetic code book, facilitating efficient and embarrassingly parallelizable arithmetic sampling to produce multiple samples using quasi-random codes. Traditional text generation methods, such as beam search and sampling-based techniques, have notable limitations: they lack parallelizability or diversity of sampled sequences. This study explores the potential of arithmetic sampling, contrasting it with ancestral sampling across two decoding tasks that employ multi-sample inference: chain-of-thought reasoning with self-consistency and machine translation with minimum Bayes risk decoding. Our results demonstrate that arithmetic sampling produces more diverse samples, significantly improving reasoning and translation performance as the sample size increases. We observe a 3text{-5%} point increase in accuracy on the GSM8K dataset and a 0.45text{-0.89%} point increment in COMET score for WMT19 tasks using arithmetic sampling without any significant computational overhead.

Diffusion language models (DLMs) are emerging as a powerful and promising alternative to the dominant autoregressive paradigm, offering inherent advantages in parallel generation and bidirectional context modeling. However, the performance of DLMs on code generation tasks, which have stronger structural constraints, is significantly hampered by the critical trade-off between inference speed and output quality. We observed that accelerating the code generation process by reducing the number of sampling steps usually leads to a catastrophic collapse in performance. In this paper, we introduce efficient Sampling with Adaptive acceleration and Backtracking Enhanced Remasking (i.e., Saber), a novel training-free sampling algorithm for DLMs to achieve better inference speed and output quality in code generation. Specifically, Saber is motivated by two key insights in the DLM generation process: 1) it can be adaptively accelerated as more of the code context is established; 2) it requires a backtracking mechanism to reverse the generated tokens. Extensive experiments on multiple mainstream code generation benchmarks show that Saber boosts Pass@1 accuracy by an average improvement of 1.9% over mainstream DLM sampling methods, meanwhile achieving an average 251.4% inference speedup. By leveraging the inherent advantages of DLMs, our work significantly narrows the performance gap with autoregressive models in code generation.

Methods for carefully selecting or generating a small set of training data to learn from, i.e., data pruning, coreset selection, and data distillation, have been shown to be effective in reducing the ever-increasing cost of training neural networks. Behind this success are rigorously designed strategies for identifying informative training examples out of large datasets. However, these strategies come with additional computational costs associated with subset selection or data distillation before training begins, and furthermore, many are shown to even under-perform random sampling in high data compression regimes. As such, many data pruning, coreset selection, or distillation methods may not reduce 'time-to-accuracy', which has become a critical efficiency measure of training deep neural networks over large datasets. In this work, we revisit a powerful yet overlooked random sampling strategy to address these challenges and introduce an approach called Repeated Sampling of Random Subsets (RSRS or RS2), where we randomly sample the subset of training data for each epoch of model training. We test RS2 against thirty state-of-the-art data pruning and data distillation methods across four datasets including ImageNet. Our results demonstrate that RS2 significantly reduces time-to-accuracy compared to existing techniques. For example, when training on ImageNet in the high-compression regime (using less than 10% of the dataset each epoch), RS2 yields accuracy improvements up to 29% compared to competing pruning methods while offering a runtime reduction of 7x. Beyond the above meta-study, we provide a convergence analysis for RS2 and discuss its generalization capability. The primary goal of our work is to establish RS2 as a competitive baseline for future data selection or distillation techniques aimed at efficient training.

Inference with modern Large Language Models (LLMs) is expensive and time-consuming, and speculative sampling has proven to be an effective solution. Most speculative sampling methods such as EAGLE use a static draft tree, implicitly assuming that the acceptance rate of draft tokens depends only on their position. Interestingly, we found that the acceptance rate of draft tokens is also context-dependent. In this paper, building upon EAGLE, we propose EAGLE-2, which introduces a new technique of context-aware dynamic draft tree into drafting modeling. This improvement leverages the fact that the draft model of EAGLE is well-calibrated: the confidence scores from the draft model approximate acceptance rates with small errors. We conducted extensive evaluations on three series of LLMs and six tasks, with EAGLE-2 achieving speedup ratios 3.05x-4.26x, which is 20%-40% faster than EAGLE-1. EAGLE-2 also ensures that the distribution of the generated text remains unchanged, making it a lossless acceleration algorithm.

While increasing training compute has significantly improved the performance of large language models (LLMs), similar gains have not been observed when scaling inference compute. We hypothesize that the primary issue lies in the uniformity of LLM outputs, which leads to inefficient sampling as models repeatedly generate similar but inaccurate responses. Motivated by an intriguing relationship between solution accuracy and response diversity, we propose DivSampling -- a novel and versatile sampling technique designed to enhance the diversity of candidate solutions by introducing prompt perturbations.DivSampling incorporates two categories of perturbations: task-agnostic approaches, which are general and not tailored to any specific task, and task-specific approaches, which are customized based on task content. Our theoretical analysis demonstrates that, under mild assumptions, the error rates of responses generated from diverse prompts are significantly lower compared to those produced by stationary prompts. Comprehensive evaluations across various tasks -- including reasoning, mathematics, and code generation -- highlight the effectiveness of DivSampling in improving solution accuracy. This scalable and efficient approach offers a new perspective on optimizing test-time inference, addressing limitations in current sampling strategies.

We aim to select data subsets for the fine-tuning of large language models to more effectively follow instructions. Prior work has emphasized the importance of diversity in dataset curation but relied on heuristics such as the number of tasks. In this paper, we use determinantal point processes to capture the diversity and quality of instruction tuning datasets for subset selection. We propose to measure dataset diversity with log determinant distance that is the distance between the dataset of interest and a maximally diverse reference dataset. Our experiments demonstrate that the proposed diversity measure in the normalized weight gradient space is correlated with downstream instruction-following performance. Consequently, it can be used to inform when data selection is the most helpful and to analyze dataset curation strategies. We demonstrate the utility of our approach on various instruction tuning datasets.

The past few years have witnessed the great success of Diffusion models~(DMs) in generating high-fidelity samples in generative modeling tasks. A major limitation of the DM is its notoriously slow sampling procedure which normally requires hundreds to thousands of time discretization steps of the learned diffusion process to reach the desired accuracy. Our goal is to develop a fast sampling method for DMs with a much less number of steps while retaining high sample quality. To this end, we systematically analyze the sampling procedure in DMs and identify key factors that affect the sample quality, among which the method of discretization is most crucial. By carefully examining the learned diffusion process, we propose Diffusion Exponential Integrator Sampler~(DEIS). It is based on the Exponential Integrator designed for discretizing ordinary differential equations (ODEs) and leverages a semilinear structure of the learned diffusion process to reduce the discretization error. The proposed method can be applied to any DMs and can generate high-fidelity samples in as few as 10 steps. In our experiments, it takes about 3 minutes on one A6000 GPU to generate 50k images from CIFAR10. Moreover, by directly using pre-trained DMs, we achieve the state-of-art sampling performance when the number of score function evaluation~(NFE) is limited, e.g., 4.17 FID with 10 NFEs, 3.37 FID, and 9.74 IS with only 15 NFEs on CIFAR10. Code is available at https://github.com/qsh-zh/deis

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.

We introduce a theoretical framework for sampling from unnormalized densities based on a smoothing scheme that uses an isotropic Gaussian kernel with a single fixed noise scale. We prove one can decompose sampling from a density (minimal assumptions made on the density) into a sequence of sampling from log-concave conditional densities via accumulation of noisy measurements with equal noise levels. Our construction is unique in that it keeps track of a history of samples, making it non-Markovian as a whole, but it is lightweight algorithmically as the history only shows up in the form of a running empirical mean of samples. Our sampling algorithm generalizes walk-jump sampling (Saremi & Hyv\"arinen, 2019). The "walk" phase becomes a (non-Markovian) chain of (log-concave) Markov chains. The "jump" from the accumulated measurements is obtained by empirical Bayes. We study our sampling algorithm quantitatively using the 2-Wasserstein metric and compare it with various Langevin MCMC algorithms. We also report a remarkable capacity of our algorithm to "tunnel" between modes of a distribution.

Frontier reasoning models have exhibited incredible capabilities across a wide array of disciplines, driven by posttraining large language models (LLMs) with reinforcement learning (RL). However, despite the widespread success of this paradigm, much of the literature has been devoted to disentangling truly novel behaviors that emerge during RL but are not present in the base models. In our work, we approach this question from a different angle, instead asking whether comparable reasoning capabilites can be elicited from base models at inference time by pure sampling, without any additional training. Inspired by Markov chain Monte Carlo (MCMC) techniques for sampling from sharpened distributions, we propose a simple iterative sampling algorithm leveraging the base models' own likelihoods. Over different base models, we show that our algorithm offers substantial boosts in reasoning that nearly match and even outperform those from RL on a wide variety of single-shot tasks, including MATH500, HumanEval, and GPQA. Moreover, our sampler avoids the collapse in diversity over multiple samples that is characteristic of RL-posttraining. Crucially, our method does not require training, curated datasets, or a verifier, suggesting broad applicability beyond easily verifiable domains.

Inspired by the principle of deliberate practice in human learning, we propose Deliberate Practice for Synthetic Data Generation (DP), a novel framework that improves sample efficiency through dynamic synthetic data generation. Prior work has shown that scaling synthetic data is inherently challenging, as naively adding new data leads to diminishing returns. To address this, pruning has been identified as a key mechanism for improving scaling, enabling models to focus on the most informative synthetic samples. Rather than generating a large dataset and pruning it afterward, DP efficiently approximates the direct generation of informative samples. We theoretically show how training on challenging, informative examples improves scaling laws and empirically validate that DP achieves better scaling performance with significantly fewer training samples and iterations. On ImageNet-100, DP generates 3.4x fewer samples and requires six times fewer iterations, while on ImageNet-1k, it generates 8x fewer samples with a 30 percent reduction in iterations, all while achieving superior performance compared to prior work.

We introduce a principled probabilistic framework for reward-guided decoding in large language models, addressing the limitations of standard decoding methods that optimize token-level likelihood rather than sequence-level quality. Our method defines a reward-augmented target distribution over complete sequences by combining model transition probabilities with prefix-dependent reward potentials. Importantly, the approach is training-free: it leaves model weights unchanged and instead modifies the inference distribution via reward potentials, with all gains arising purely from inference-time sampling. To sample from this distribution, we develop Sequential Monte Carlo algorithms, including a computationally efficient prefix-only variant and a lookahead variant whose intermediate targets match the exact marginals of the full sequence distribution. The framework also integrates resample-move updates with Metropolis-Hastings rejuvenation and supports block-wise generation, subsuming common decoding strategies such as temperature sampling and power-tempered objectives. Empirical results across three 7B models show significant gains. On code generation (HumanEval), our method improves base performance by up to 54.9% and surpasses the strongest sampling baselines by 9.1%-15.3%. On mathematical reasoning (MATH500), it achieves gains of up to 8.8%. Notably, it reaches 87.8% on HumanEval and 78.4% on MATH500 with Qwen2.5-7B, consistently outperforming the reinforcement learning method GRPO.

Speculative sampling (SpS) has been successful in accelerating the decoding throughput of auto-regressive large language models by leveraging smaller draft models. SpS strictly enforces the generated distribution to match that of the verifier LLM. This is unnecessarily restrictive as slight variations of the verifier's distribution, such as sampling with top-k or temperature, would also be acceptable. Typical acceptance sampling (TAS) alleviates this issue by accepting more tokens using entropy-based heuristics. However, this approach distorts the verifier distribution, potentially degrading output quality when the verifier encodes critical information. In this work, we formalize the speculative sampling algorithm through the lens of constrained optimization. Based on this formulation, we propose Cactus (constrained acceptance speculative sampling), a method that guarantees controlled divergence from the verifier distribution and increasing acceptance rates. Empirical results across a wide range of benchmarks confirm the effectiveness of our approach.

We consider solving equality-constrained nonlinear, nonconvex optimization problems. This class of problems appears widely in a variety of applications in machine learning and engineering, ranging from constrained deep neural networks, to optimal control, to PDE-constrained optimization. We develop an adaptive inexact Newton method for this problem class. In each iteration, we solve the Lagrangian Newton system inexactly via a randomized iterative sketching solver, and select a suitable stepsize by performing line search on an exact augmented Lagrangian merit function. The randomized solvers have advantages over deterministic linear system solvers by significantly reducing per-iteration flops complexity and storage cost, when equipped with suitable sketching matrices. Our method adaptively controls the accuracy of the randomized solver and the penalty parameters of the exact augmented Lagrangian, to ensure that the inexact Newton direction is a descent direction of the exact augmented Lagrangian. This allows us to establish a global almost sure convergence. We also show that a unit stepsize is admissible locally, so that our method exhibits a local linear convergence. Furthermore, we prove that the linear convergence can be strengthened to superlinear convergence if we gradually sharpen the adaptive accuracy condition on the randomized solver. We demonstrate the superior performance of our method on benchmark nonlinear problems in CUTEst test set, constrained logistic regression with data from LIBSVM, and a PDE-constrained problem.

Diffusion models and flow-matching models have enabled generating diverse and realistic images by learning to transfer noise to data. However, sampling from these models involves iterative denoising over many neural network passes, making generation slow and expensive. Previous approaches for speeding up sampling require complex training regimes, such as multiple training phases, multiple networks, or fragile scheduling. We introduce shortcut models, a family of generative models that use a single network and training phase to produce high-quality samples in a single or multiple sampling steps. Shortcut models condition the network not only on the current noise level but also on the desired step size, allowing the model to skip ahead in the generation process. Across a wide range of sampling step budgets, shortcut models consistently produce higher quality samples than previous approaches, such as consistency models and reflow. Compared to distillation, shortcut models reduce complexity to a single network and training phase and additionally allow varying step budgets at inference time.

Masked Diffusion Models (MDMs) offer greater flexibility in decoding order than autoregressive models but require careful planning to achieve high-quality generation. Existing samplers typically adopt greedy heuristics, prioritizing positions with the highest local certainty to decode at each step. Through failure case analysis, we identify a fundamental limitation of this approach: it neglects the downstream impact of current decoding choices on subsequent steps and fails to minimize cumulative uncertainty. In particular, these methods do not fully exploit the non-causal nature of MDMs, which enables evaluating how a decoding decision reshapes token probabilities/uncertainty across all remaining masked positions. To bridge this gap, we propose the Info-Gain Sampler, a principled decoding framework that balances immediate uncertainty with information gain over future masked tokens. Extensive evaluations across diverse architectures and tasks (reasoning, coding, creative writing, and image generation) demonstrate that Info-Gain Sampler consistently outperforms existing samplers for MDMs. For instance, it achieves a 3.6% improvement in average accuracy on reasoning tasks and a 63.1% win-rate in creative writing. Notably, on reasoning tasks it reduces cumulative uncertainty from 78.4 to 48.6, outperforming the best baseline by a large margin. The code will be available at https://github.com/yks23/Information-Gain-Sampler.

We introduce ensembles within score-based sampling methods to develop gradient-free approximate sampling techniques that leverage the collective dynamics of particle ensembles to compute approximate reverse diffusion drifts. We introduce the underlying methodology, emphasizing its relationship with generative diffusion models and the previously introduced F\"ollmer sampler. We demonstrate the efficacy of ensemble strategies through various examples, ranging from low- to medium-dimensionality sampling problems, including multi-modal and highly non-Gaussian probability distributions, and provide comparisons to traditional methods like NUTS. Our findings highlight the potential of ensemble strategies for modeling complex probability distributions in situations where gradients are unavailable. Finally, we showcase its application in the context of Bayesian inversion problems within the geophysical sciences.

Training deep learning models on single-cell datasets with hundreds of millions of cells requires loading data from disk, as these datasets exceed available memory. While random sampling provides the data diversity needed for effective training, it is prohibitively slow due to the random access pattern overhead, whereas sequential streaming achieves high throughput but introduces biases that degrade model performance. We present scDataset, a PyTorch data loader that enables efficient training from on-disk data with seamless integration across diverse storage formats. Our approach combines block sampling and batched fetching to achieve quasi-random sampling that balances I/O efficiency with minibatch diversity. On Tahoe-100M, a dataset of 100 million cells, scDataset achieves more than two orders of magnitude speedup compared to true random sampling while working directly with AnnData files. We provide theoretical bounds on minibatch diversity and empirically show that scDataset matches the performance of true random sampling across multiple classification tasks.

Large language models (LLMs) exhibit remarkable reasoning capabilities across diverse downstream tasks. However, their autoregressive nature leads to substantial inference latency, posing challenges for real-time applications. Speculative sampling mitigates this issue by introducing a drafting phase followed by a parallel validation phase, enabling faster token generation and verification. Existing approaches, however, overlook the inherent coherence in text generation, limiting their efficiency. To address this gap, we propose a Speculative Sampling with Syntactic and Semantic Coherence (S^4C) framework, which extends speculative sampling by leveraging multi-head drafting for rapid token generation and a continuous verification tree for efficient candidate validation and feature reuse. Experimental results demonstrate that S^4C surpasses baseline methods across mainstream tasks, offering enhanced efficiency, parallelism, and the ability to generate more valid tokens with fewer computational resources. On Spec-bench benchmarks, S^4C achieves an acceleration ratio of 2.26x-2.60x, outperforming state-of-the-art methods.

We explore the problem of generating minority samples using diffusion models. The minority samples are instances that lie on low-density regions of a data manifold. Generating a sufficient number of such minority instances is important, since they often contain some unique attributes of the data. However, the conventional generation process of the diffusion models mostly yields majority samples (that lie on high-density regions of the manifold) due to their high likelihoods, making themselves ineffective and time-consuming for the minority generating task. In this work, we present a novel framework that can make the generation process of the diffusion models focus on the minority samples. We first highlight that Tweedie's denoising formula yields favorable results for majority samples. The observation motivates us to introduce a metric that describes the uniqueness of a given sample. To address the inherent preference of the diffusion models w.r.t. the majority samples, we further develop minority guidance, a sampling technique that can guide the generation process toward regions with desired likelihood levels. Experiments on benchmark real datasets demonstrate that our minority guidance can greatly improve the capability of generating high-quality minority samples over existing generative samplers. We showcase that the performance benefit of our framework persists even in demanding real-world scenarios such as medical imaging, further underscoring the practical significance of our work. Code is available at https://github.com/soobin-um/minority-guidance.

We study the behavior of deterministic methods for solving inverse problems in imaging. These methods are commonly designed to achieve two goals: (1) attaining high perceptual quality, and (2) generating reconstructions that are consistent with the measurements. We provide a rigorous proof that the better a predictor satisfies these two requirements, the larger its Lipschitz constant must be, regardless of the nature of the degradation involved. In particular, to approach perfect perceptual quality and perfect consistency, the Lipschitz constant of the model must grow to infinity. This implies that such methods are necessarily more susceptible to adversarial attacks. We demonstrate our theory on single image super-resolution algorithms, addressing both noisy and noiseless settings. We also show how this undesired behavior can be leveraged to explore the posterior distribution, thereby allowing the deterministic model to imitate stochastic methods.

Chain-of-thought (CoT) reasoning in large language models (LLMs) can be formalized as a latent variable problem, where the model needs to generate intermediate reasoning steps. While prior approaches such as iterative reward-ranked fine-tuning (RAFT) have relied on such formulations, they typically apply uniform inference budgets across prompts, which fails to account for variability in difficulty and convergence behavior. This work identifies the main bottleneck in CoT training as inefficient stochastic gradient estimation due to static sampling strategies. We propose GVM-RAFT, a prompt-specific Dynamic Sample Allocation Strategy designed to minimize stochastic gradient variance under a computational budget constraint. The method dynamically allocates computational resources by monitoring prompt acceptance rates and stochastic gradient norms, ensuring that the resulting gradient variance is minimized. Our theoretical analysis shows that the proposed dynamic sampling strategy leads to accelerated convergence guarantees under suitable conditions. Experiments on mathematical reasoning show that GVM-RAFT achieves a 2-4x speedup and considerable accuracy improvements over vanilla RAFT. The proposed dynamic sampling strategy is general and can be incorporated into other reinforcement learning algorithms, such as GRPO, leading to similar improvements in convergence and test accuracy. Our code is available at https://github.com/RLHFlow/GVM.

In reinforcement learning, agents collect state information and rewards through environmental interactions, essential for policy refinement. This process is notably time-consuming, especially in complex robotic simulations and real-world applications. Traditional algorithms usually re-engage with the environment after processing a single batch of samples, thereby failing to fully capitalize on historical data. However, frequently observed states, with reliable value estimates, require minimal updates; in contrast, rare observed states necessitate more intensive updates for achieving accurate value estimations. To address uneven sample utilization, we propose Novelty-guided Sample Reuse (NSR). NSR provides extra updates for infrequent, novel states and skips additional updates for frequent states, maximizing sample use before interacting with the environment again. Our experiments show that NSR improves the convergence rate and success rate of algorithms without significantly increasing time consumption. Our code is publicly available at https://github.com/ppksigs/NSR-DDPG-HER.

Denoising diffusion probabilistic models (DDPMs) have achieved high quality image generation without adversarial training, yet they require simulating a Markov chain for many steps to produce a sample. To accelerate sampling, we present denoising diffusion implicit models (DDIMs), a more efficient class of iterative implicit probabilistic models with the same training procedure as DDPMs. In DDPMs, the generative process is defined as the reverse of a Markovian diffusion process. We construct a class of non-Markovian diffusion processes that lead to the same training objective, but whose reverse process can be much faster to sample from. We empirically demonstrate that DDIMs can produce high quality samples 10 times to 50 times faster in terms of wall-clock time compared to DDPMs, allow us to trade off computation for sample quality, and can perform semantically meaningful image interpolation directly in the latent space.

Reinforcement Learning (RL) has recently emerged as a powerful technique for improving image and video generation in Diffusion and Flow Matching models, specifically for enhancing output quality and alignment with prompts. A critical step for applying online RL methods on Flow Matching is the introduction of stochasticity into the deterministic framework, commonly realized by Stochastic Differential Equation (SDE). Our investigation reveals a significant drawback to this approach: SDE-based sampling introduces pronounced noise artifacts in the generated images, which we found to be detrimental to the reward learning process. A rigorous theoretical analysis traces the origin of this noise to an excess of stochasticity injected during inference. To address this, we draw inspiration from Denoising Diffusion Implicit Models (DDIM) to reformulate the sampling process. Our proposed method, Coefficients-Preserving Sampling (CPS), eliminates these noise artifacts. This leads to more accurate reward modeling, ultimately enabling faster and more stable convergence for reinforcement learning-based optimizers like Flow-GRPO and Dance-GRPO. Code will be released at https://github.com/IamCreateAI/FlowCPS

Speculative decoding is widely used in accelerating large language model (LLM) inference. In this work, we focus on the online draft model selection problem in speculative decoding. We design an algorithm that provably competes with the best draft model in hindsight for each query in terms of either the token acceptance probability or expected acceptance length. In particular, we show that we can accurately evaluate all draft models, instead of only the chosen model without incurring additional queries to the target model, which allows us to improve exponentially over the existing bandit-based approach as the number of draft models increases. Our approach is generically applicable with any speculative decoding methods (single draft, multi-drafts and draft-trees). Moreover, we design system-efficient versions of online learners and demonstrate that the overhead in computation and latency can be substantially reduced. We conduct extensive experiments on open-source LLMs and diverse datasets, demonstrating that our methods substantially outperform the state-of-the-art EAGLE3 and the BanditSpec baseline in a variety of domains where specialized domain-expert drafters are available, especially when long reasoning chains are required.

Retrieval-augmented generation (RAG) enables large language models (LLMs) to produce evidence-based responses, and its performance hinges on the matching between the retriever and LLMs. Retriever optimization has emerged as an efficient alternative to fine-tuning LLMs. However, existing solutions suffer from objective mismatch between retriever optimization and the goal of RAG pipeline. Reinforcement learning (RL) provides a promising solution to address this limitation, yet applying RL to retriever optimization introduces two fundamental challenges: 1) the deterministic retrieval is incompatible with RL formulations, and 2) state aliasing arises from query-only retrieval in multi-hop reasoning. To address these challenges, we replace deterministic retrieval with stochastic sampling and formulate RAG as a Markov decision process, making retriever optimizable by RL. Further, we incorporate retrieval history into the state at each retrieval step to mitigate state aliasing. Extensive experiments across diverse RAG pipelines, datasets, and retriever scales demonstrate consistent improvements of our approach in RAG performance.

Uniform-state discrete diffusion models excel at few-step generation and guidance due to their ability to self-correct, making them preferred over autoregressive or Masked diffusion models in these settings. However, their sampling quality plateaus with ancestral samplers as the number of steps increases. We introduce a family of Predictor-Corrector (PC) samplers for discrete diffusion that generalize prior methods and apply to arbitrary noise processes. When paired with uniform-state diffusion, our samplers outperform ancestral sampling on both language and image modeling, achieving lower generative perplexity at matched unigram entropy on OpenWebText and better FID/IS scores on CIFAR10. Crucially, unlike conventional samplers, our PC methods continue to improve with more sampling steps. Taken together, these findings call into question the assumption that Masked diffusion is the inevitable future of diffusion-based language modeling. Beyond sampling, we develop a memory-efficient curriculum for the Gaussian relaxation training phase, reducing training time by 25% and memory by 33% compared to Duo while maintaining comparable perplexity on OpenWebText and LM1B and strong downstream performance. We release code, checkpoints, and a video-tutorial on: https://s-sahoo.com/duo-ch2

Comprehensive evaluation of Large Language Models (LLMs) is an open research problem. Existing evaluations rely on deterministic point estimates generated via greedy decoding. However, we find that deterministic evaluations fail to capture the whole output distribution of a model, yielding inaccurate estimations of model capabilities. This is particularly problematic in critical contexts such as unlearning and alignment, where precise model evaluations are crucial. To remedy this, we introduce the first formal probabilistic evaluation framework for LLMs. Namely, we propose novel metrics with high probability guarantees concerning the output distribution of a model. Our metrics are application-independent and allow practitioners to make more reliable estimates about model capabilities before deployment. Our experimental analysis reveals that deterministic evaluations falsely indicate successful unlearning and alignment, whereas our probabilistic evaluations better capture model capabilities. We show how to overcome challenges associated with probabilistic outputs in a case study on unlearning by introducing (1) a novel loss based on entropy optimization, and (2) adaptive temperature scaling. We demonstrate that our approach significantly enhances unlearning in probabilistic settings on recent benchmarks. Overall, our proposed shift from point estimates to probabilistic evaluations of output distributions represents an important step toward comprehensive evaluations of LLMs. Code available at https://www.cs.cit.tum.de/daml/probabilistic-unlearning/.

Diffusion Large Language Models (dLLMs) represent a new paradigm beyond autoregressive modeling, offering competitive performance while naturally enabling a flexible decoding process. Specifically, dLLMs can generate tokens at arbitrary positions in parallel, endowing them with significant potential for parallel test-time scaling, which was previously constrained by severe inefficiency in autoregressive modeling. In this work, we introduce dVoting, a fast voting technique that boosts reasoning capability without training, with only an acceptable extra computational overhead. dVoting is motivated by the observation that, across multiple samples for the same prompt, token predictions remain largely consistent, whereas performance is determined by a small subset of tokens exhibiting cross-sample variability. Leveraging the arbitrary-position generation capability of dLLMs, dVoting performs iterative refinement by sampling, identifying uncertain tokens via consistency analysis, regenerating them through voting, and repeating this process until convergence. Extensive evaluations demonstrate that dVoting consistently improves performance across various benchmarks. It achieves gains of 6.22%-7.66% on GSM8K, 4.40%-7.20% on MATH500, 3.16%-14.84% on ARC-C, and 4.83%-5.74% on MMLU. Our code is available at https://github.com/fscdc/dVoting

Modern AI systems rely on vector embeddings stored and searched using floating-point arithmetic. While effective for approximate similarity search, this design introduces fundamental non-determinism: identical models, inputs, and code can produce different memory states and retrieval results across hardware architectures (e.g., x86 vs. ARM). This prevents replayability and safe deployment, leading to silent data divergence that prevents post-hoc verification and compromises audit trails in regulated sectors. We present Valori, a deterministic AI memory substrate that replaces floating-point memory operations with fixed-point arithmetic (Q16.16) and models memory as a replayable state machine. Valori guarantees bit-identical memory states, snapshots, and search results across platforms. We demonstrate that non-determinism arises before indexing or retrieval and show how Valori enforces determinism at the memory boundary. Our results suggest that deterministic memory is a necessary primitive for trustworthy AI systems. The reference implementation is open-source and available at https://github.com/varshith-Git/Valori-Kernel (archived at https://zenodo.org/records/18022660).

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.

The sequential nature of modern LLMs makes them expensive and slow, and speculative sampling has proven to be an effective solution to this problem. Methods like EAGLE perform autoregression at the feature level, reusing top-layer features from the target model to achieve better results than vanilla speculative sampling. A growing trend in the LLM community is scaling up training data to improve model intelligence without increasing inference costs. However, we observe that scaling up data provides limited improvements for EAGLE. We identify that this limitation arises from EAGLE's feature prediction constraints. In this paper, we introduce EAGLE-3, which abandons feature prediction in favor of direct token prediction and replaces reliance on top-layer features with multi-layer feature fusion via a technique named training-time test. These improvements significantly enhance performance and enable the draft model to fully benefit from scaling up training data. Our experiments include both chat models and reasoning models, evaluated on five tasks. The results show that EAGLE-3 achieves a speedup ratio up to 6.5x, with about 1.4x improvement over EAGLE-2. The code is available at https://github.com/SafeAILab/EAGLE.

Many recent reasoning gains in large language models can be explained as distribution sharpening: biasing generation toward high-likelihood trajectories already supported by the pretrained model, rather than modifying its weights. A natural formalization is the sequence-level power distribution π_α(ymid x)propto p_θ(ymid x)^α (α>1), which concentrates mass on whole sequences instead of adjusting token-level temperature. Prior work shows that Metropolis--Hastings (MH) sampling from this distribution recovers strong reasoning performance, but at order-of-magnitude inference slowdowns. We introduce Power-SMC, a training-free Sequential Monte Carlo scheme that targets the same objective while remaining close to standard decoding latency. Power-SMC advances a small particle set in parallel, corrects importance weights token-by-token, and resamples when necessary, all within a single GPU-friendly batched decode. We prove that temperature τ=1/α is the unique prefix-only proposal minimizing incremental weight variance, interpret residual instability via prefix-conditioned Rényi entropies, and introduce an exponent-bridging schedule that improves particle stability without altering the target. On MATH500, Power-SMC matches or exceeds MH power sampling while reducing latency from 16--28times to 1.4--3.3times over baseline decoding. The code is available at https://github.com/ArminAzizi98/Power-SMC.

Inference from large autoregressive models like Transformers is slow - decoding K tokens takes K serial runs of the model. In this work we introduce speculative decoding - an algorithm to sample from autoregressive models faster without any changes to the outputs, by computing several tokens in parallel. At the heart of our approach lie the observations that (1) hard language-modeling tasks often include easier subtasks that can be approximated well by more efficient models, and (2) using speculative execution and a novel sampling method, we can make exact decoding from the large models faster, by running them in parallel on the outputs of the approximation models, potentially generating several tokens concurrently, and without changing the distribution. Our method can accelerate existing off-the-shelf models without retraining or architecture changes. We demonstrate it on T5-XXL and show a 2X-3X acceleration compared to the standard T5X implementation, with identical outputs.

By learning the gradient of smoothed data distributions, diffusion models can iteratively generate samples from complex distributions. The learned score function enables their generalization capabilities, but how the learned score relates to the score of the underlying data manifold remains largely unclear. Here, we aim to elucidate this relationship by comparing learned neural scores to the scores of two kinds of analytically tractable distributions: Gaussians and Gaussian mixtures. The simplicity of the Gaussian model makes it theoretically attractive, and we show that it admits a closed-form solution and predicts many qualitative aspects of sample generation dynamics. We claim that the learned neural score is dominated by its linear (Gaussian) approximation for moderate to high noise scales, and supply both theoretical and empirical arguments to support this claim. Moreover, the Gaussian approximation empirically works for a larger range of noise scales than naive theory suggests it should, and is preferentially learned early in training. At smaller noise scales, we observe that learned scores are better described by a coarse-grained (Gaussian mixture) approximation of training data than by the score of the training distribution, a finding consistent with generalization. Our findings enable us to precisely predict the initial phase of trained models' sampling trajectories through their Gaussian approximations. We show that this allows the skipping of the first 15-30% of sampling steps while maintaining high sample quality (with a near state-of-the-art FID score of 1.93 on CIFAR-10 unconditional generation). This forms the foundation of a novel hybrid sampling method, termed analytical teleportation, which can seamlessly integrate with and accelerate existing samplers, including DPM-Solver-v3 and UniPC. Our findings suggest ways to improve the design and training of diffusion models.

Denoising Diffusion Models (DDMs) have become a popular tool for generating high-quality samples from complex data distributions. These models are able to capture sophisticated patterns and structures in the data, and can generate samples that are highly diverse and representative of the underlying distribution. However, one of the main limitations of diffusion models is the complexity of sample generation, since a large number of inference timesteps is required to faithfully capture the data distribution. In this paper, we present MMD-DDM, a novel method for fast sampling of diffusion models. Our approach is based on the idea of using the Maximum Mean Discrepancy (MMD) to finetune the learned distribution with a given budget of timesteps. This allows the finetuned model to significantly improve the speed-quality trade-off, by substantially increasing fidelity in inference regimes with few steps or, equivalently, by reducing the required number of steps to reach a target fidelity, thus paving the way for a more practical adoption of diffusion models in a wide range of applications. We evaluate our approach on unconditional image generation with extensive experiments across the CIFAR-10, CelebA, ImageNet and LSUN-Church datasets. Our findings show that the proposed method is able to produce high-quality samples in a fraction of the time required by widely-used diffusion models, and outperforms state-of-the-art techniques for accelerated sampling. Code is available at: https://github.com/diegovalsesia/MMD-DDM.

Rejection sampling is a technique for sampling from difficult distributions. However, its use is limited due to a high rejection rate. Common adaptive rejection sampling methods either work only for very specific distributions or without performance guarantees. In this paper, we present pliable rejection sampling (PRS), a new approach to rejection sampling, where we learn the sampling proposal using a kernel estimator. Since our method builds on rejection sampling, the samples obtained are with high probability i.i.d. and distributed according to f. Moreover, PRS comes with a guarantee on the number of accepted samples.

We introduce a novel framework for efficient sampling from complex, unnormalised target distributions by exploiting multiscale dynamics. Traditional score-based sampling methods either rely on learned approximations of the score function or involve computationally expensive nested Markov chain Monte Carlo (MCMC) loops. In contrast, the proposed approach leverages stochastic averaging within a slow-fast system of stochastic differential equations (SDEs) to estimate intermediate scores along a diffusion path without training or inner-loop MCMC. Two algorithms are developed under this framework: MultALMC, which uses multiscale annealed Langevin dynamics, and MultCDiff, based on multiscale controlled diffusions for the reverse-time Ornstein-Uhlenbeck process. Both overdamped and underdamped variants are considered, with theoretical guarantees of convergence to the desired diffusion path. The framework is extended to handle heavy-tailed target distributions using Student's t-based noise models and tailored fast-process dynamics. Empirical results across synthetic and real-world benchmarks, including multimodal and high-dimensional distributions, demonstrate that the proposed methods are competitive with existing samplers in terms of accuracy and efficiency, without the need for learned models.

We propose a novel speculative decoding method tailored for multi-sample reasoning scenarios, such as self-consistency and Best-of-N sampling. Our method exploits the intrinsic consensus of parallel generation paths to synthesize high-quality draft tokens without requiring auxiliary models or external databases. By dynamically analyzing structural patterns across parallel reasoning paths through a probabilistic aggregation mechanism, it identifies consensus token sequences that align with the decoding distribution. Evaluations on mathematical reasoning benchmarks demonstrate a substantial improvement in draft acceptance rates over baselines, while reducing the latency in draft token construction. This work establishes a paradigm shift for efficient multi-sample inference, enabling seamless integration of speculative decoding with sampling-based reasoning techniques.

LLM-as-a-judge has emerged as a cornerstone technique for evaluating large language models by leveraging LLM reasoning to score prompt-response pairs. Since LLM judgments are stochastic, practitioners commonly query each pair multiple times to estimate mean scores accurately. This raises a critical challenge: given a fixed computational budget B, how to optimally allocate queries across K prompt-response pairs to minimize estimation error? % We present a principled variance-adaptive approach leveraging multi-armed bandit theory and concentration inequalities. Our method dynamically allocates queries based on estimated score variances, concentrating resources where uncertainty is highest. Further, our algorithm is shown to achieve a worst-case score-estimation error of Oleft(frac{sum_{i=1^K σ_i^2}{B}}right), σ_i^2 being the unknown score variance for pair i in [K] with near-optimal budget allocation. % Experiments on Summarize-From-Feedback and HelpSteer2 demonstrate that our method significantly outperforms uniform allocation, reducing worst-case estimation error while maintaining identical budgets. Our work establishes a theoretical foundation for efficient LLM evaluation with practical implications for AI safety, model alignment, and automated assessment at scale.

Test-time scaling seeks to improve the reasoning performance of large language models (LLMs) by adding computational resources. A prevalent approach within the field is sampling-based test-time scaling methods, which enhance reasoning by generating multiple reasoning paths for a given input during inference. However, despite its practical success, the theoretical foundations remain underexplored. In this paper, we provide the first theoretical framework for analyzing sampling-based test-time scaling methods, grounded in the perspective of confidence estimation. Based on the framework, we analyze two dominant paradigms: self-consistency and perplexity, and reveal key limitations: self-consistency suffers from high estimation error while perplexity exhibits substantial modeling error and possible degradation of the estimation error convergence. To address these limitations, we introduce RPC, a hybrid method that leverages our theoretical insights through two key components: Perplexity Consistency and Reasoning Pruning. Perplexity Consistency combines the strengths of self-consistency and perplexity, boosting the convergence rate of estimation error from linear to exponential while preserving model error. Reasoning Pruning prevents degradation by eliminating low-probability reasoning paths. Both theoretical analysis and empirical results across seven benchmark datasets demonstrate that RPC has a strong potential for reducing reasoning error. Notably, RPC achieves reasoning performance comparable to self-consistency while not only enhancing confidence reliability but also reducing sampling costs by 50%. The code and resources are available at https://wnjxyk.github.io/RPC.

Diffusion Large Language Models (dLLMs) offer fast, parallel token generation, but their standalone use is plagued by an inherent efficiency-quality tradeoff. We show that, if carefully applied, the attributes of dLLMs can actually be a strength for drafters in speculative decoding with autoregressive (AR) verifiers. Our core insight is that dLLM's speed from parallel decoding drastically lowers the risk of costly rejections, providing a practical mechanism to effectively realize the (elusive) lengthy drafts that lead to large speedups with speculative decoding. We present FailFast, a dLLM-based speculative decoding framework that realizes this approach by dynamically adapting its speculation length. It "fails fast" by spending minimal compute in hard-to-speculate regions to shrink speculation latency and "wins big" by aggressively extending draft lengths in easier regions to reduce verification latency (in many cases, speculating and accepting 70 tokens at a time!). Without any fine-tuning, FailFast delivers lossless acceleration of AR LLMs and achieves up to 4.9times speedup over vanilla decoding, 1.7times over the best naive dLLM drafter, and 1.4times over EAGLE-3 across diverse models and workloads. We open-source FailFast at https://github.com/ruipeterpan/failfast.

Ensemble methods enhance Large Language Models (LLMs) by combining multiple models but suffer from high computational costs. In this paper, we introduce Speculative Ensemble, a novel framework that accelerates LLM ensembles without sacrificing performance, inspired by Speculative Decoding-where a small proposal model generates tokens sequentially, and a larger target model verifies them in parallel. Our approach builds on two key insights: (1) the verification distribution can be the ensemble distribution of both the proposal and target models, and (2) alternating each model as the proposer and verifier can further enhance efficiency. We generalize this method to ensembles with n models and theoretically prove that SE is never slower than a standard ensemble, typically achieving faster speed. Extensive experiments demonstrate speed improvements of 1.11x-2.23x over standard ensemble techniques without compromising generation quality. Our code is available at https://github.com/Kamichanw/Speculative-Ensemble/

Despite their remarkable success in complex tasks propelling widespread adoption, large language-model-based agents still face critical deployment challenges due to prohibitive latency and inference costs. While recent work has explored various methods to accelerate inference, existing approaches suffer from significant limitations: they either fail to preserve performance fidelity, require extensive offline training of router modules, or incur excessive operational costs. Moreover, they provide minimal user control over the tradeoff between acceleration and other performance metrics. To address these gaps, we introduce Dynamic Speculative Planning (DSP), an asynchronous online reinforcement learning framework that provides lossless acceleration with substantially reduced costs without requiring additional pre-deployment preparation. DSP explicitly optimizes a joint objective balancing end-to-end latency against dollar cost, allowing practitioners to adjust a single parameter that steers the system toward faster responses, cheaper operation, or any point along this continuum. Experiments on two standard agent benchmarks demonstrate that DSP achieves comparable efficiency to the fastest lossless acceleration method while reducing total cost by 30% and unnecessary cost up to 60%. Our code and data are available through https://github.com/guanyilin428/Dynamic-Speculative-Planning.

Diffusion models are powerful generative models but suffer from slow sampling, often taking 1000 sequential denoising steps for one sample. As a result, considerable efforts have been directed toward reducing the number of denoising steps, but these methods hurt sample quality. Instead of reducing the number of denoising steps (trading quality for speed), in this paper we explore an orthogonal approach: can we run the denoising steps in parallel (trading compute for speed)? In spite of the sequential nature of the denoising steps, we show that surprisingly it is possible to parallelize sampling via Picard iterations, by guessing the solution of future denoising steps and iteratively refining until convergence. With this insight, we present ParaDiGMS, a novel method to accelerate the sampling of pretrained diffusion models by denoising multiple steps in parallel. ParaDiGMS is the first diffusion sampling method that enables trading compute for speed and is even compatible with existing fast sampling techniques such as DDIM and DPMSolver. Using ParaDiGMS, we improve sampling speed by 2-4x across a range of robotics and image generation models, giving state-of-the-art sampling speeds of 0.2s on 100-step DiffusionPolicy and 16s on 1000-step StableDiffusion-v2 with no measurable degradation of task reward, FID score, or CLIP score.

Sequential models achieve state-of-the-art results in audio, visual and textual domains with respect to both estimating the data distribution and generating high-quality samples. Efficient sampling for this class of models has however remained an elusive problem. With a focus on text-to-speech synthesis, we describe a set of general techniques for reducing sampling time while maintaining high output quality. We first describe a single-layer recurrent neural network, the WaveRNN, with a dual softmax layer that matches the quality of the state-of-the-art WaveNet model. The compact form of the network makes it possible to generate 24kHz 16-bit audio 4x faster than real time on a GPU. Second, we apply a weight pruning technique to reduce the number of weights in the WaveRNN. We find that, for a constant number of parameters, large sparse networks perform better than small dense networks and this relationship holds for sparsity levels beyond 96%. The small number of weights in a Sparse WaveRNN makes it possible to sample high-fidelity audio on a mobile CPU in real time. Finally, we propose a new generation scheme based on subscaling that folds a long sequence into a batch of shorter sequences and allows one to generate multiple samples at once. The Subscale WaveRNN produces 16 samples per step without loss of quality and offers an orthogonal method for increasing sampling efficiency.

Public repositories host millions of fine-tuned models, yet community usage remains disproportionately concentrated on a small number of foundation checkpoints. We investigate whether this concentration reflects efficient market selection or if superior models are systematically overlooked. Through an extensive evaluation of over 2,000 models, we show the prevalence of "hidden gems", unpopular fine-tunes that significantly outperform their popular counterparts. Notably, within the Llama-3.1-8B family, we find rarely downloaded checkpoints that improve math performance from 83.2% to 96.0% without increasing inference costs. However, discovering these models through exhaustive evaluation of every uploaded model is computationally infeasible. We therefore formulate model discovery as a Multi-Armed Bandit problem and accelerate the Sequential Halving search algorithm by using shared query sets and aggressive elimination schedules. Our method retrieves top models with as few as 50 queries per candidate, accelerating discovery by over 50x.

Recent advances demonstrate that increasing inference-time computation can significantly boost the reasoning capabilities of large language models (LLMs). Although repeated sampling (i.e., generating multiple candidate outputs) is a highly effective strategy, it does not leverage external feedback signals for refinement, which are often available in tasks like coding. In this work, we propose Adaptive Branching Monte Carlo Tree Search (AB-MCTS), a novel inference-time framework that generalizes repeated sampling with principled multi-turn exploration and exploitation. At each node in the search tree, AB-MCTS dynamically decides whether to "go wider" by expanding new candidate responses or "go deeper" by revisiting existing ones based on external feedback signals. We evaluate our method on complex coding and engineering tasks using frontier models. Empirical results show that AB-MCTS consistently outperforms both repeated sampling and standard MCTS, underscoring the importance of combining the response diversity of LLMs with multi-turn solution refinement for effective inference-time scaling.

While LLMs have seen substantial improvement in reasoning capabilities, they also sometimes overthink, generating unnecessary reasoning steps, particularly under uncertainty, given ill-posed or ambiguous queries. We introduce statistically principled early stopping methods that monitor uncertainty signals during generation to mitigate this issue. Our first approach is parametric: it models inter-arrival times of uncertainty keywords as a renewal process and applies sequential testing for stopping. Our second approach is nonparametric and provides finite-sample guarantees on the probability of halting too early on well-posed queries. We conduct empirical evaluations on reasoning tasks across several domains and models. Our results indicate that uncertainty-aware early stopping can improve both efficiency and reliability in LLM reasoning, and we observe especially significant gains for math reasoning.

Timestep sampling p(t) is a central design choice in Flow Matching models, yet common practice increasingly favors static middle-biased distributions (e.g., Logit-Normal). We show that this choice induces a speed--quality trade-off: middle-biased sampling accelerates early convergence but yields worse asymptotic fidelity than Uniform sampling. By analyzing per-timestep training losses, we identify a U-shaped difficulty profile with persistent errors near the boundary regimes, implying that under-sampling the endpoints leaves fine details unresolved. Guided by this insight, we propose Curriculum Sampling, a two-phase schedule that begins with middle-biased sampling for rapid structure learning and then switches to Uniform sampling for boundary refinement. On CIFAR-10, Curriculum Sampling improves the best FID from 3.85 (Uniform) to 3.22 while reaching peak performance at 100k rather than 150k training steps. Our results highlight that timestep sampling should be treated as an evolving curriculum rather than a fixed hyperparameter.

We address the problem of optimizing a Brownian motion. We consider a (random) realization W of a Brownian motion with input space in [0,1]. Given W, our goal is to return an ε-approximation of its maximum using the smallest possible number of function evaluations, the sample complexity of the algorithm. We provide an algorithm with sample complexity of order log^2(1/ε). This improves over previous results of Al-Mharmah and Calvin (1996) and Calvin et al. (2017) which provided only polynomial rates. Our algorithm is adaptive---each query depends on previous values---and is an instance of the optimism-in-the-face-of-uncertainty principle.

Inspired by the latest developments in multilevel Monte Carlo (MLMC) methods and randomised sketching for linear algebra problems we propose a MLMC estimator for real-time processing of matrix structured random data. Our algorithm is particularly effective in handling high-dimensional inner products and matrix multiplication, in applications of image analysis and large-scale supervised learning.

We consider function optimization as a sequential decision making problem under budget constraint. This constraint limits the number of objective function evaluations allowed during the optimization. We consider an algorithm inspired by a continuous version of a multi-armed bandit problem which attacks this optimization problem by solving the tradeoff between exploration (initial quasi-uniform search of the domain) and exploitation (local optimization around the potentially global maxima). We introduce the so-called Simultaneous Optimistic Optimization (SOO), a deterministic algorithm that works by domain partitioning. The benefit of such approach are the guarantees on the returned solution and the numerical efficiency of the algorithm. We present this machine learning approach to optimization, and provide the empirical assessment of SOO on the CEC'2014 competition on single objective real-parameter numerical optimization test-suite.

Diffusion models have demonstrated impressive generative capabilities, but their exposure bias problem, described as the input mismatch between training and sampling, lacks in-depth exploration. In this paper, we systematically investigate the exposure bias problem in diffusion models by first analytically modelling the sampling distribution, based on which we then attribute the prediction error at each sampling step as the root cause of the exposure bias issue. Furthermore, we discuss potential solutions to this issue and propose an intuitive metric for it. Along with the elucidation of exposure bias, we propose a simple, yet effective, training-free method called Epsilon Scaling to alleviate the exposure bias. We show that Epsilon Scaling explicitly moves the sampling trajectory closer to the vector field learned in the training phase by scaling down the network output (Epsilon), mitigating the input mismatch between training and sampling. Experiments on various diffusion frameworks (ADM, DDPM/DDIM, EDM, LDM), unconditional and conditional settings, and deterministic vs. stochastic sampling verify the effectiveness of our method. Remarkably, our ADM-ES, as a SOTA stochastic sampler, obtains 2.17 FID on CIFAR-10 under 100-step unconditional generation. The code is available at https://github.com/forever208/ADM-ES and https://github.com/forever208/EDM-ES.

The recent advancements in large language models (LLMs) have been extraordinary, yet the escalating inference costs associated with them present challenges in real-world applications. To address these challenges, we propose a novel approach called Early-exiting Speculative Decoding (EESD) with lossless acceleration. Specifically, EESD utilizes a segment of the LLM to generate draft tokens, incorporating Early-exiting structures after the first N layers. To enhance the quality of draft tokens, a self-distillation method is integrated. This early-exiting design not only reduces deployment and training costs but also significantly accelerates the token generation speed. Moreover, we introduce a novel sampling mechanism that leverages Thompson Sampling to regulate the generation processes, automatically determining the quantity of draft tokens in each round. The original LLM is then employed to validate these draft tokens through a single forward pass, and thus guarantees that the final output text maintains a distribution consistent with vanilla auto-regressive decoding. The experimental results on both 13B and 70B models demonstrate that our approach decodes tokens at a markedly accelerated rate compared to prior methods, showing the effectiveness of our approach.

Diffusion language models (DLMs) promise parallel, order-agnostic generation, but on standard benchmarks they have historically lagged behind autoregressive models in sample quality and diversity. Recent continuous flow and diffusion approaches over token embeddings have narrowed this gap, suggesting continuous state spaces are highly effective for language. In this work, we further close the autoregressive gap by modeling text as a continuous diffusion process over fixed-width binary bitstreams. Our approach represents semantic tokens as analog bit sequences and utilizes a matched-filter residual parameterization to isolate contextual learning from analytic independent-bit posteriors. Crucially, we adopt a stochastic sampler that applies Langevin-type corrections gated by the entropy-rate profile, automatically concentrating stochasticity in high-information regions while remaining nearly deterministic elsewhere. On the One Billion Word Benchmark (LM1B), our 130M-parameter bitstream model reaches a generative perplexity (GenPPL) of 59.76 at matched real-data entropy (4.31) using 256 neural function evaluations (NFEs), decisively outperforming prior DLM baselines and reaching the autoregressive reference. On OpenWebText (OWT), our stochastic sampler establishes a new continuous-DLM Pareto frontier, achieving GenPPL=27.06 at an entropy of 5.26 using 4times fewer steps than previous 1024-NFE baselines. As an additional architectural benefit, bitstream diffusion removes the O(V) vocabulary scaling bottleneck shared by standard DLMs. By predicting O(log V) bitwise logits via semantic bit-patching, our model yields a reduced memory footprint and higher throughput, demonstrating a scalable paradigm for language generation as vocabulary sizes grow.

Large language models have shown impressive capabilities across a variety of NLP tasks, yet their generating text autoregressively is time-consuming. One way to speed them up is speculative decoding, which generates candidate segments (a sequence of tokens) from a fast draft model that is then verified in parallel by the target model. However, the acceptance rate of candidate tokens receives limitations from several factors, such as the model, the dataset, and the decoding setup. This paper proposes sampling multiple candidates from a draft model and then organising them in batches for verification. We design algorithms for efficient multi-candidate verification while maintaining the distribution of the target model. Our approach shows significant improvements in acceptance rates on multiple datasets and models, consistently outperforming standard speculative decoding.

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.

Scaling the size of language models to tens of billions of parameters has led to impressive performance on a wide range of tasks. At generation, these models are used auto-regressively, requiring a forward pass for each generated token, and thus reading the full set of parameters from memory. This memory access forms the primary bottleneck for generation and it worsens as the model size increases. Moreover, executing a forward pass for multiple tokens in parallel often takes nearly the same time as it does for just one token. These two observations lead to the development of speculative sampling, where a second smaller model is used to draft a few tokens, that are then validated or rejected using a single forward pass of the large model. Unfortunately, this method requires two models that share the same tokenizer and thus limits its adoption. As an alternative, we propose to use parallel decoding as a way to draft multiple tokens from a single model with no computational cost, nor the need for a second model. Our approach only requires an additional input token that marks the words that will be generated simultaneously. We show promising performance (up to 30% speed-up) while requiring only as few as O(d_{emb}) additional parameters.

Deep reinforcement learning (DRL) algorithms require substantial samples and computational resources to achieve higher performance, which restricts their practical application and poses challenges for further development. Given the constraint of limited resources, it is essential to leverage existing computational work (e.g., learned policies, samples) to enhance sample efficiency and reduce the computational resource consumption of DRL algorithms. Previous works to leverage existing computational work require intrusive modifications to existing algorithms and models, designed specifically for specific algorithms, lacking flexibility and universality. In this paper, we present the Snapshot Reinforcement Learning (SnapshotRL) framework, which enhances sample efficiency by simply altering environments, without making any modifications to algorithms and models. By allowing student agents to choose states in teacher trajectories as the initial state to sample, SnapshotRL can effectively utilize teacher trajectories to assist student agents in training, allowing student agents to explore a larger state space at the early training phase. We propose a simple and effective SnapshotRL baseline algorithm, S3RL, which integrates well with existing DRL algorithms. Our experiments demonstrate that integrating S3RL with TD3, SAC, and PPO algorithms on the MuJoCo benchmark significantly improves sample efficiency and average return, without extra samples and additional computational resources.

Diffusion models have recently shown great promise for generative modeling, outperforming GANs on perceptual quality and autoregressive models at density estimation. A remaining downside is their slow sampling time: generating high quality samples takes many hundreds or thousands of model evaluations. Here we make two contributions to help eliminate this downside: First, we present new parameterizations of diffusion models that provide increased stability when using few sampling steps. Second, we present a method to distill a trained deterministic diffusion sampler, using many steps, into a new diffusion model that takes half as many sampling steps. We then keep progressively applying this distillation procedure to our model, halving the number of required sampling steps each time. On standard image generation benchmarks like CIFAR-10, ImageNet, and LSUN, we start out with state-of-the-art samplers taking as many as 8192 steps, and are able to distill down to models taking as few as 4 steps without losing much perceptual quality; achieving, for example, a FID of 3.0 on CIFAR-10 in 4 steps. Finally, we show that the full progressive distillation procedure does not take more time than it takes to train the original model, thus representing an efficient solution for generative modeling using diffusion at both train and test time.

The sampling of probability distributions specified up to a normalization constant is an important problem in both machine learning and statistical mechanics. While classical stochastic sampling methods such as Markov Chain Monte Carlo (MCMC) or Langevin Dynamics (LD) can suffer from slow mixing times there is a growing interest in using normalizing flows in order to learn the transformation of a simple prior distribution to the given target distribution. Here we propose a generalized and combined approach to sample target densities: Stochastic Normalizing Flows (SNF) -- an arbitrary sequence of deterministic invertible functions and stochastic sampling blocks. We show that stochasticity overcomes expressivity limitations of normalizing flows resulting from the invertibility constraint, whereas trainable transformations between sampling steps improve efficiency of pure MCMC/LD along the flow. By invoking ideas from non-equilibrium statistical mechanics we derive an efficient training procedure by which both the sampler's and the flow's parameters can be optimized end-to-end, and by which we can compute exact importance weights without having to marginalize out the randomness of the stochastic blocks. We illustrate the representational power, sampling efficiency and asymptotic correctness of SNFs on several benchmarks including applications to sampling molecular systems in equilibrium.

Sampling-based search, a simple paradigm for utilizing test-time compute, involves generating multiple candidate responses and selecting the best one -- typically by verifying each response for correctness. In this paper, we study the scaling trends governing sampling-based search. Among our findings is that simply scaling up a minimalist implementation that uses only random sampling and direct self-verification results in sustained performance improvements that, for example, elevate the Gemini v1.5 Pro model's reasoning capabilities past that of o1-Preview on popular benchmarks. We partially attribute the scalability of sampling-based search to a phenomenon of implicit scaling, where sampling a larger pool of responses in turn improves verification accuracy. We further identify two useful principles for improving self-verification capabilities with test-time compute: (1) comparing across responses provides helpful signals about the locations of errors and hallucinations, and (2) different model output styles are useful for different contexts -- chains of thought are useful for reasoning but harder to verify. We also find that, though accurate verification can be elicited, frontier models demonstrate remarkably weak out-of-box verification capabilities and introduce a benchmark to measure progress on these deficiencies.

We propose a Monte Carlo sampler from the reverse diffusion process. Unlike the practice of diffusion models, where the intermediary updates -- the score functions -- are learned with a neural network, we transform the score matching problem into a mean estimation one. By estimating the means of the regularized posterior distributions, we derive a novel Monte Carlo sampling algorithm called reverse diffusion Monte Carlo (rdMC), which is distinct from the Markov chain Monte Carlo (MCMC) methods. We determine the sample size from the error tolerance and the properties of the posterior distribution to yield an algorithm that can approximately sample the target distribution with any desired accuracy. Additionally, we demonstrate and prove under suitable conditions that sampling with rdMC can be significantly faster than that with MCMC. For multi-modal target distributions such as those in Gaussian mixture models, rdMC greatly improves over the Langevin-style MCMC sampling methods both theoretically and in practice. The proposed rdMC method offers a new perspective and solution beyond classical MCMC algorithms for the challenging complex distributions.

Can we learn more from data than existed in the generating process itself? Can new and useful information be constructed from merely applying deterministic transformations to existing data? Can the learnable content in data be evaluated without considering a downstream task? On these questions, Shannon information and Kolmogorov complexity come up nearly empty-handed, in part because they assume observers with unlimited computational capacity and fail to target the useful information content. In this work, we identify and exemplify three seeming paradoxes in information theory: (1) information cannot be increased by deterministic transformations; (2) information is independent of the order of data; (3) likelihood modeling is merely distribution matching. To shed light on the tension between these results and modern practice, and to quantify the value of data, we introduce epiplexity, a formalization of information capturing what computationally bounded observers can learn from data. Epiplexity captures the structural content in data while excluding time-bounded entropy, the random unpredictable content exemplified by pseudorandom number generators and chaotic dynamical systems. With these concepts, we demonstrate how information can be created with computation, how it depends on the ordering of the data, and how likelihood modeling can produce more complex programs than present in the data generating process itself. We also present practical procedures to estimate epiplexity which we show capture differences across data sources, track with downstream performance, and highlight dataset interventions that improve out-of-distribution generalization. In contrast to principles of model selection, epiplexity provides a theoretical foundation for data selection, guiding how to select, generate, or transform data for learning systems.

Randomized controlled trials are susceptible to imbalance on covariates predictive of the outcome. Rerandomization and deterministic treatment assignment are two proposed solutions. This paper explores the relationship between rerandomization and deterministic assignment, showing how deterministic assignment is an extreme case of rerandomization. The paper argues that in small experiments, both fully randomized and fully deterministic assignment have limitations. Instead, the researcher should consider setting the rerandomization acceptance probability based on an analysis of covariates and assumptions about the data structure to achieve an optimal alignment between randomness and balance. This allows for the calculation of minimum p-values along with valid permutation tests and fiducial intervals. The paper also introduces tools, including a new, open-source R package named fastrerandomize, to implement rerandomization and explore options for optimal rerandomization acceptance thresholds.

Decoding methods for large language models often trade-off between diversity of outputs and parallelism of computation. Methods such as beam search and Gumbel top-k sampling can guarantee a different output for each element of the beam, but are not easy to parallelize. Alternatively, methods such as temperature sampling and its modifications (top-k sampling, nucleus sampling, typical decoding, and others), are embarrassingly parallel, but have no guarantees about duplicate samples. We present a framework for sampling according to an arithmetic code book implicitly defined by a large language model, compatible with common sampling variations, with provable beam diversity under certain conditions, as well as being embarrassingly parallel and providing unbiased and consistent expectations from the original model. We demonstrate the effectiveness of our approach on WMT machine translation, more than halving the standard deviation when estimating expected BLEU score reward, and closing the BLEU score gap between independent sampling and beam search by up to 63%.

Most offline reinforcement learning (RL) algorithms return a target policy maximizing a trade-off between (1) the expected performance gain over the behavior policy that collected the dataset, and (2) the risk stemming from the out-of-distribution-ness of the induced state-action occupancy. It follows that the performance of the target policy is strongly related to the performance of the behavior policy and, thus, the trajectory return distribution of the dataset. We show that in mixed datasets consisting of mostly low-return trajectories and minor high-return trajectories, state-of-the-art offline RL algorithms are overly restrained by low-return trajectories and fail to exploit high-performing trajectories to the fullest. To overcome this issue, we show that, in deterministic MDPs with stochastic initial states, the dataset sampling can be re-weighted to induce an artificial dataset whose behavior policy has a higher return. This re-weighted sampling strategy may be combined with any offline RL algorithm. We further analyze that the opportunity for performance improvement over the behavior policy correlates with the positive-sided variance of the returns of the trajectories in the dataset. We empirically show that while CQL, IQL, and TD3+BC achieve only a part of this potential policy improvement, these same algorithms combined with our reweighted sampling strategy fully exploit the dataset. Furthermore, we empirically demonstrate that, despite its theoretical limitation, the approach may still be efficient in stochastic environments. The code is available at https://github.com/Improbable-AI/harness-offline-rl.

Masked diffusion models (MDMs) have emerged as a popular research topic for generative modeling of discrete data, thanks to their superior performance over other discrete diffusion models, and are rivaling the auto-regressive models (ARMs) for language modeling tasks. The recent effort in simplifying the masked diffusion framework further leads to alignment with continuous-space diffusion models and more principled training and sampling recipes. In this paper, however, we reveal that both training and sampling of MDMs are theoretically free from the time variable, arguably the key signature of diffusion models, and are instead equivalent to masked models. The connection on the sampling aspect is drawn by our proposed first-hitting sampler (FHS). Specifically, we show that the FHS is theoretically equivalent to MDMs' original generation process while significantly alleviating the time-consuming categorical sampling and achieving a 20times speedup. In addition, our investigation raises doubts about whether MDMs can truly beat ARMs. We identify, for the first time, an underlying numerical issue, even with the commonly used 32-bit floating-point precision, which results in inaccurate categorical sampling. We show that the numerical issue lowers the effective temperature both theoretically and empirically, and the resulting decrease in token diversity makes previous evaluations, which assess the generation quality solely through the incomplete generative perplexity metric, somewhat unfair.

Despite the crucial importance of accelerating text generation in large language models (LLMs) for efficiently producing content, the sequential nature of this process often leads to high inference latency, posing challenges for real-time applications. Various techniques have been proposed and developed to address these challenges and improve efficiency. This paper presents a comprehensive survey of accelerated generation techniques in autoregressive language models, aiming to understand the state-of-the-art methods and their applications. We categorize these techniques into several key areas: speculative decoding, early exiting mechanisms, and non-autoregressive methods. We discuss each category's underlying principles, advantages, limitations, and recent advancements. Through this survey, we aim to offer insights into the current landscape of techniques in LLMs and provide guidance for future research directions in this critical area of natural language processing.

We study the classic Text-to-Pattern Hamming Distances problem: given a pattern P of length m and a text T of length n, both over a polynomial-size alphabet, compute the Hamming distance between P and T[i, ., . , i+m-1] for every shift i, under the standard Word-RAM model with Theta(log n)-bit words. - We provide an O(nm) time Las Vegas randomized algorithm for this problem, beating the decades-old O(n m log m) running time [Abrahamson, SICOMP 1987]. We also obtain a deterministic algorithm, with a slightly higher O(nm(log mloglog m)^{1/4}) running time. Our randomized algorithm extends to the k-bounded setting, with running time Obig(n+nk{m}big), removing all the extra logarithmic factors from earlier algorithms [Gawrychowski and Uzna\'{n}ski, ICALP 2018; Chan, Golan, Kociumaka, Kopelowitz and Porat, STOC 2020]. - For the (1+epsilon)-approximate version of Text-to-Pattern Hamming Distances, we give an O(epsilon^{-0.93}n) time Monte Carlo randomized algorithm, beating the previous O(epsilon^{-1}n) running time [Kopelowitz and Porat, FOCS 2015; Kopelowitz and Porat, SOSA 2018]. Our approximation algorithm exploits a connection with 3SUM, and uses a combination of Fredman's trick, equality matrix product, and random sampling; in particular, we obtain new results on approximate counting versions of 3SUM and Exact Triangle, which may be of independent interest. Our exact algorithms use a novel combination of hashing, bit-packed FFT, and recursion; in particular, we obtain a faster algorithm for computing the sumset of two integer sets, in the regime when the universe size is close to quadratic in the number of elements. We also prove a fine-grained equivalence between the exact Text-to-Pattern Hamming Distances problem and a range-restricted, counting version of 3SUM.

Diffusion-based generative models have demonstrated their powerful performance across various tasks, but this comes at a cost of the slow sampling speed. To achieve both efficient and high-quality synthesis, various distillation-based accelerated sampling methods have been developed recently. However, they generally require time-consuming fine tuning with elaborate designs to achieve satisfactory performance in a specific number of function evaluation (NFE), making them difficult to employ in practice. To address this issue, we propose Simple and Fast Distillation (SFD) of diffusion models, which simplifies the paradigm used in existing methods and largely shortens their fine-tuning time up to 1000times. We begin with a vanilla distillation-based sampling method and boost its performance to state of the art by identifying and addressing several small yet vital factors affecting the synthesis efficiency and quality. Our method can also achieve sampling with variable NFEs using a single distilled model. Extensive experiments demonstrate that SFD strikes a good balance between the sample quality and fine-tuning costs in few-step image generation task. For example, SFD achieves 4.53 FID (NFE=2) on CIFAR-10 with only 0.64 hours of fine-tuning on a single NVIDIA A100 GPU. Our code is available at https://github.com/zju-pi/diff-sampler.

Reinforcement learning with verifiable rewards (RLVR) is a powerful paradigm for enhancing the reasoning capabilities of large language models (LLMs), yet its success hinges on effective exploration. An ideal exploration strategy must navigate two fundamental challenges: it must preserve sample quality while also ensuring training stability. While standard fixed-temperature sampling is simple, it struggles to balance these competing demands, as high temperatures degrade sample quality and low temperatures limit discovery. In this work, we propose a simpler and more effective strategy, Exploratory Annealed Decoding (EAD), grounded in the insight that exploration is most impactful on early tokens which define a sequence's semantic direction. EAD implements an intuitive **explore-at-the-beginning, exploit-at-the-end** strategy by annealing the sampling temperature from high to low during generation. This dynamic schedule encourages meaningful, high-level diversity at the start, then gradually lowers the temperature to preserve sample quality and keep the sampling distribution close to the target policy, which is essential for stable training. We demonstrate that EAD is a lightweight, plug-and-play method that significantly improves sample efficiency, consistently outperforming fixed-temperature sampling across various RLVR algorithms and model sizes. Our work suggests that aligning exploration with the natural dynamics of sequential generation offers a robust path to improving LLM reasoning.

Some of the most performant reinforcement learning algorithms today can be prohibitively expensive as they use test-time scaling methods such as sampling multiple action candidates and selecting the best one. In this work, we propose FASTER, a method for getting the benefits of sampling-based test-time scaling of diffusion-based policies without the computational cost by tracing the performance gain of action samples back to earlier in the denoising process. Our key insight is that we can model the denoising of multiple action candidates and selecting the best one as a Markov Decision Process (MDP) where the goal is to progressively filter action candidates before denoising is complete. With this MDP, we can learn a policy and value function in the denoising space that predicts the downstream value of action candidates in the denoising process and filters them while maximizing returns. The result is a method that is lightweight and can be plugged into existing generative RL algorithms. Across challenging long-horizon manipulation tasks in online and batch-online RL, FASTER consistently improves the underlying policies and achieves the best overall performance among the compared methods. Applied to a pretrained VLA, FASTER achieves the same performance while substantially reducing training and inference compute requirements. Code is available at https://github.com/alexanderswerdlow/faster .

Diffusion large language models (dLLMs) offer a promising alternative to autoregressive models, but their practical utility is severely hampered by slow, iterative sampling. We present SchED, a training-free, model-agnostic early-exit algorithm that aggregates full-span logit margins and halts decoding once a smooth, progress-dependent confidence threshold is met. We evaluated SchED on two dLLM families (Dream and LLaDA), in base and instruction-tuned variants across ten benchmarks spanning downstream tasks including multiple-choice question answering (MCQ), math, long-form QA/summarization, and translation. SchED delivers large, stable accelerations: on instruction-tuned models, it achieves 3.8-4.0times speedups while retaining 99.8-100% of the baseline score on average. On base models, SchED yields consistent speedup gains with 99.1-100% performance retention, with up to 2.34times under more aggressive settings. Using a conservative speed metric that heavily penalizes quality loss (QPS, γ{=}4), we show that SchED is robust and clearly outperforms prior confidence-based early-exit methods, which break down on long-form generation. An entropy analysis of the model's token predictions reveals that instruction tuning speeds up the decay of predictive entropy. By turning genuine confidence stabilization into computational savings, SchED makes dLLM decoding substantially more efficient.

Speculative decoding emerges as a pivotal technique for enhancing the inference speed of Large Language Models (LLMs). Despite recent research aiming to improve prediction efficiency, multi-sample speculative decoding has been overlooked due to varying numbers of accepted tokens within a batch in the verification phase. Vanilla method adds padding tokens in order to ensure that the number of new tokens remains consistent across samples. However, this increases the computational and memory access overhead, thereby reducing the speedup ratio. We propose a novel method that can resolve the issue of inconsistent tokens accepted by different samples without necessitating an increase in memory or computing overhead. Furthermore, our proposed method can handle the situation where the prediction tokens of different samples are inconsistent without the need to add padding tokens. Sufficient experiments demonstrate the efficacy of our method. Our code is available at https://github.com/niyunsheng/EMS-SD.

Denoising diffusion probabilistic models (DDPM) are a class of generative models which have recently been shown to produce excellent samples. We show that with a few simple modifications, DDPMs can also achieve competitive log-likelihoods while maintaining high sample quality. Additionally, we find that learning variances of the reverse diffusion process allows sampling with an order of magnitude fewer forward passes with a negligible difference in sample quality, which is important for the practical deployment of these models. We additionally use precision and recall to compare how well DDPMs and GANs cover the target distribution. Finally, we show that the sample quality and likelihood of these models scale smoothly with model capacity and training compute, making them easily scalable. We release our code at https://github.com/openai/improved-diffusion