Daily Papers

Looped Language Models (LoopLMs) enable efficient latent reasoning through depth recurrence, yet exhibit unreliable test-time scaling behavior: performance often peaks at a certain iteration depth and then collapses with further recurrence. Through latent dynamics analysis, we find an inherent trade-off between stability and effectiveness in existing architectures and strategies. By conceptualizing reasoning as uncertainty reduction, we propose that convergence toward stable fixed points while preserving effectiveness represents a promising way. To this end, we propose STARS (STAbility-driven Recurrent Scaling), a training framework that constrains latent states to approach asymptotically stable fixed points. This is realized via efficient Jacobian Spectral Radius Regularization with random loop sampling, enabling STARS to maximize effectiveness while ensuring rigorous stability. Experiments on arithmetic tasks show that STARS achieves reliable test-time scaling, and on complex mathematical reasoning it substantially mitigates performance degradation as recurrence depth increases while also improving peak performance.

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.

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.

Experience replay is a key component in reinforcement learning for stabilizing learning and improving sample efficiency. Its typical implementation samples transitions with replacement from a replay buffer. In contrast, in supervised learning with a fixed dataset, it is a common practice to shuffle the dataset every epoch and consume data sequentially, which is called random reshuffling (RR). RR enjoys theoretically better convergence properties and has been shown to outperform with-replacement sampling empirically. To leverage the benefits of RR in reinforcement learning, we propose sampling methods that extend RR to experience replay, both in uniform and prioritized settings. We evaluate our sampling methods on Atari benchmarks, demonstrating their effectiveness in deep reinforcement learning.

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.

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.

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.

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.

We study the realizability of simplicial complexes with a given pair of integer sequences, representing the node degree distribution and the facet size distribution, respectively. While the s-uniform variant of the problem is NP-complete when s geq 3, we identify two populations of input sequences, most of which can be solved in polynomial time using a recursive algorithm that we contribute. Combining with a sampler for the simplicial configuration model [J.-G. Young et al., Phys. Rev. E 96, 032312 (2017)], we facilitate the efficient sampling of simplicial ensembles from arbitrary degree and size distributions. We find that, contrary to expectations based on dyadic networks, increasing the nodes' degrees reduces the number of loops in simplicial complexes. Our work unveils a fundamental constraint on the degree-size sequences and sheds light on further analysis of higher-order phenomena based on local structures.

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.

In large scale machine learning, random sampling is a popular way to approximate datasets by a small representative subset of examples. In particular, sensitivity sampling is an intensely studied technique which provides provable guarantees on the quality of approximation, while reducing the number of examples to the product of the VC dimension d and the total sensitivity mathfrak S in remarkably general settings. However, guarantees going beyond this general bound of mathfrak S d are known in perhaps only one setting, for ell_2 subspace embeddings, despite intense study of sensitivity sampling in prior work. In this work, we show the first bounds for sensitivity sampling for ell_p subspace embeddings for pneq 2 that improve over the general mathfrak S d bound, achieving a bound of roughly mathfrak S^{2/p} for 1leq p<2 and mathfrak S^{2-2/p} for 2<p<infty. For 1leq p<2, we show that this bound is tight, in the sense that there exist matrices for which mathfrak S^{2/p} samples is necessary. Furthermore, our techniques yield further new results in the study of sampling algorithms, showing that the root leverage score sampling algorithm achieves a bound of roughly d for 1leq p<2, and that a combination of leverage score and sensitivity sampling achieves an improved bound of roughly d^{2/p}mathfrak S^{2-4/p} for 2<p<infty. Our sensitivity sampling results yield the best known sample complexity for a wide class of structured matrices that have small ell_p sensitivity.

We present a novel quasi-Monte Carlo mechanism to improve graph-based sampling, coined repelling random walks. By inducing correlations between the trajectories of an interacting ensemble such that their marginal transition probabilities are unmodified, we are able to explore the graph more efficiently, improving the concentration of statistical estimators whilst leaving them unbiased. The mechanism has a trivial drop-in implementation. We showcase the effectiveness of repelling random walks in a range of settings including estimation of graph kernels, the PageRank vector and graphlet concentrations. We provide detailed experimental evaluation and robust theoretical guarantees. To our knowledge, repelling random walks constitute the first rigorously studied quasi-Monte Carlo scheme correlating the directions of walkers on a graph, inviting new research in this exciting nascent domain.

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.

We propose Ambient Dataloops, an iterative framework for refining datasets that makes it easier for diffusion models to learn the underlying data distribution. Modern datasets contain samples of highly varying quality, and training directly on such heterogeneous data often yields suboptimal models. We propose a dataset-model co-evolution process; at each iteration of our method, the dataset becomes progressively higher quality, and the model improves accordingly. To avoid destructive self-consuming loops, at each generation, we treat the synthetically improved samples as noisy, but at a slightly lower noisy level than the previous iteration, and we use Ambient Diffusion techniques for learning under corruption. Empirically, Ambient Dataloops achieve state-of-the-art performance in unconditional and text-conditional image generation and de novo protein design. We further provide a theoretical justification for the proposed framework that captures the benefits of the data looping procedure.

We consider multi-draft speculative sampling, where the proposal sequences are sampled independently from different draft models. At each step, a token-level draft selection scheme takes a list of valid tokens as input and produces an output token whose distribution matches that of the target model. Previous works have demonstrated that the optimal scheme (which maximizes the probability of accepting one of the input tokens) can be cast as a solution to a linear program. In this work we show that the optimal scheme can be decomposed into a two-step solution: in the first step an importance sampling (IS) type scheme is used to select one intermediate token; in the second step (single-draft) speculative sampling is applied to generate the output token. For the case of two identical draft models we further 1) establish a necessary and sufficient condition on the distributions of the target and draft models for the acceptance probability to equal one and 2) provide an explicit expression for the optimal acceptance probability. Our theoretical analysis also motives a new class of token-level selection scheme based on weighted importance sampling. Our experimental results demonstrate consistent improvements in the achievable block efficiency and token rates over baseline schemes in a number of scenarios.

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.

Dataset distillation aims to synthesize small datasets with little information loss from original large-scale ones for reducing storage and training costs. Recent state-of-the-art methods mainly constrain the sample synthesis process by matching synthetic images and the original ones regarding gradients, embedding distributions, or training trajectories. Although there are various matching objectives, currently the strategy for selecting original images is limited to naive random sampling. We argue that random sampling overlooks the evenness of the selected sample distribution, which may result in noisy or biased matching targets. Besides, the sample diversity is also not constrained by random sampling. These factors together lead to optimization instability in the distilling process and degrade the training efficiency. Accordingly, we propose a novel matching strategy named as Dataset distillation by REpresentAtive Matching (DREAM), where only representative original images are selected for matching. DREAM is able to be easily plugged into popular dataset distillation frameworks and reduce the distilling iterations by more than 8 times without performance drop. Given sufficient training time, DREAM further provides significant improvements and achieves state-of-the-art performances.

We study auto research as a closed empirical loop driven by external measurement. Each submitted trial carries a hypothesis, an executable code edit, an evaluator-owned outcome, and feedback that shapes the next proposal. The output is not a generated paper or a single model checkpoint, but an auditable trajectory of proposals, code diffs, experiments, scores, and failure labels. We instantiate this loop with specialist agents that partition recipe surfaces and share measured lineage across trials. The central empirical finding is that lineage feedback lets agents turn evaluator outcomes, including crashes, budget overruns, size failures, and accuracy-gate misses, into later program-level recipe edits rather than one-shot suggestions. Across 1,197 headline-run trials plus 600 Parameter Golf control trials after one-time setup and launch, humans did not choose proposals, edit recipes, override scores, or repair failed trials during the search. In the three headline runs, the same submitted-trial loop reduces Parameter Golf validation bpb by 0.81%, raises NanoChat-D12 CORE by 38.7%, and reduces CIFAR-10 Airbench96 wallclock by 4.59%, with each task measured by its own external evaluator and legality checks. The trace includes a strict architecture-domain audit of 157 headline-run submissions and program rewrites such as a NanoChat attention-kernel path change. Within this scope the loop autonomously writes code, submits experiments, absorbs feedback, applies and combines known techniques inside each environment, and improves public starting recipes.

Beam search is the default decoding strategy for many sequence generation tasks in NLP. The set of approximate K-best items returned by the algorithm is a useful summary of the distribution for many applications; however, the candidates typically exhibit high overlap and may give a highly biased estimate for expectations under our model. These problems can be addressed by instead using stochastic decoding strategies. In this work, we propose a new method for turning beam search into a stochastic process: Conditional Poisson stochastic beam search. Rather than taking the maximizing set at each iteration, we sample K candidates without replacement according to the conditional Poisson sampling design. We view this as a more natural alternative to Kool et. al. 2019's stochastic beam search (SBS). Furthermore, we show how samples generated under the CPSBS design can be used to build consistent estimators and sample diverse sets from sequence models. In our experiments, we observe CPSBS produces lower variance and more efficient estimators than SBS, even showing improvements in high entropy settings.

We study sampling algorithms for β-ensembles with time complexity less than cubic in the cardinality of the ensemble. Following Dumitriu & Edelman (2002), we see the ensemble as the eigenvalues of a random tridiagonal matrix, namely a random Jacobi matrix. First, we provide a unifying and elementary treatment of the tridiagonal models associated to the three classical Hermite, Laguerre and Jacobi ensembles. For this purpose, we use simple changes of variables between successive reparametrizations of the coefficients defining the tridiagonal matrix. Second, we derive an approximate sampler for the simulation of β-ensembles, and illustrate how fast it can be for polynomial potentials. This method combines a Gibbs sampler on Jacobi matrices and the diagonalization of these matrices. In practice, even for large ensembles, only a few Gibbs passes suffice for the marginal distribution of the eigenvalues to fit the expected theoretical distribution. When the conditionals in the Gibbs sampler can be simulated exactly, the same fast empirical convergence is observed for the fluctuations of the largest eigenvalue. Our experimental results support a conjecture by Krishnapur et al. (2016), that the Gibbs chain on Jacobi matrices of size N mixes in O(log(N)).

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.

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.

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 analyse linear ensemble sampling (ES) with standard Gaussian perturbations in stochastic linear bandits. We show that for ensemble size m=Θ(dlog n), ES attains tilde O(d^{3/2}sqrt n) high-probability regret, closing the gap to the Thompson sampling benchmark while keeping computation comparable. The proof brings a new perspective on randomized exploration in linear bandits by reducing the analysis to a time-uniform exceedance problem for m independent Brownian motions. Intriguingly, this continuous-time lens is not forced; it appears natural--and perhaps necessary: the discrete-time problem seems to be asking for a continuous-time solution, and we know of no other way to obtain a sharp ES bound.

Yes. Can it cure doom loops? Probably not. The Gemma 4 instruction-tuned models share a reproducible failure: on long factual enumeration prompts, such as listing every episode of a TV series, the 88 IAU constellations, or the 151 original Pokemon, they collapse into repetition, either a tight verbatim loop or a list whose entries decay onto a single answer. These loops occur at rates as high as 95% and survive prompt rewording, inference-engine changes, and most sampling adjustments. In this paper we explore whether this behavior is localized enough to remove by weight edits. To localize the cause, we use per-layer ablation and per-neuron attribution, then confirm the strongest candidates with full-generation sweeps. The loops trace to a small set of MLP neurons (or, in the 26B-A4B Mixture-of-Experts model, a few routed experts) which we suppress with static weight edits. These "surgeries" can be as small as a single sign-inverted neuron (in the E2B model). The size of the effective edits grows with model scale, but in all cases, the loop patterns can be addressed at normal generation budgets while preserving general-purpose benchmark scores. However, the edits do not solve everything: we also study longer thinking budgets, where the two larger models most visibly enter doom looping, i.e. a non-convergent regime in which the model self-corrects in circles over a fact it cannot recall, exhausting the budget without committing to a final answer. We show this residual failure is reduced but not eliminated by the same edits, and argue it is fundamentally a knowledge-precision problem rather than a removable circuit; weight surgery can delete a loop, but it cannot supply a missing fact. Our results are both a feasibility demonstration, that is, evidence that a concrete generation pathology can be localized to a few parameters and edited out, and a delineation of where that approach stops.

Assessing the capabilities and risks of frontier AI systems is a critical area of research, and recent work has shown that repeated sampling from models can dramatically increase both. For instance, repeated sampling has been shown to increase their capabilities, such as solving difficult math and coding problems, but it has also been shown to increase their potential for harm, such as being jailbroken. Such results raise a crucial question for both capability and safety forecasting: how can one accurately predict a model's behavior when scaled to a massive number of attempts, given a vastly smaller sampling budget? This question is directly relevant to model providers, who serve hundreds of millions of users daily, and to governmental regulators, who seek to prevent harms. To answer this questions, we make three contributions. First, we find that standard methods for fitting these laws suffer from statistical shortcomings that hinder predictive accuracy, especially in data-limited scenarios. Second, we remedy these shortcomings by introducing a robust estimation framework, which uses a beta-binomial distribution to generate more accurate predictions from limited data. Third, we propose a dynamic sampling strategy that allocates a greater budget to harder problems. Combined, these innovations enable more reliable prediction of rare risks and capabilities at a fraction of the computational cost.

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.

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.

The k-means++ seeding algorithm (Arthur & Vassilvitskii, 2007) is widely used in practice for the k-means clustering problem where the goal is to cluster a dataset X subset R ^d into k clusters. The popularity of this algorithm is due to its simplicity and provable guarantee of being O(log k) competitive with the optimal solution in expectation. However, its running time is O(|X|kd), making it expensive for large datasets. In this work, we present a simple and effective rejection sampling based approach for speeding up k-means++. Our first method runs in time O(nnz (X) + beta k^2d) while still being O(log k ) competitive in expectation. Here, beta is a parameter which is the ratio of the variance of the dataset to the optimal k-means cost in expectation and O hides logarithmic factors in k and |X|. Our second method presents a new trade-off between computational cost and solution quality. It incurs an additional scale-invariant factor of k^{-Omega( m/beta)} Var (X) in addition to the O(log k) guarantee of k-means++ improving upon a result of (Bachem et al, 2016a) who get an additional factor of m^{-1}Var(X) while still running in time O(nnz(X) + mk^2d). We perform extensive empirical evaluations to validate our theoretical results and to show the effectiveness of our approach on real datasets.

We study a family of distributed stochastic optimization algorithms where gradients are sampled by a token traversing a network of agents in random-walk fashion. Typically, these random-walks are chosen to be Markov chains that asymptotically sample from a desired target distribution, and play a critical role in the convergence of the optimization iterates. In this paper, we take a novel approach by replacing the standard linear Markovian token by one which follows a nonlinear Markov chain - namely the Self-Repellent Radom Walk (SRRW). Defined for any given 'base' Markov chain, the SRRW, parameterized by a positive scalar {\alpha}, is less likely to transition to states that were highly visited in the past, thus the name. In the context of MCMC sampling on a graph, a recent breakthrough in Doshi et al. (2023) shows that the SRRW achieves O(1/{\alpha}) decrease in the asymptotic variance for sampling. We propose the use of a 'generalized' version of the SRRW to drive token algorithms for distributed stochastic optimization in the form of stochastic approximation, termed SA-SRRW. We prove that the optimization iterate errors of the resulting SA-SRRW converge to zero almost surely and prove a central limit theorem, deriving the explicit form of the resulting asymptotic covariance matrix corresponding to iterate errors. This asymptotic covariance is always smaller than that of an algorithm driven by the base Markov chain and decreases at rate O(1/{\alpha}^2) - the performance benefit of using SRRW thereby amplified in the stochastic optimization context. Empirical results support our theoretical findings.

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%.

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 .

Looped Transformers scale latent computation by repeatedly applying shared blocks, but sequential looping increases latency and KV-cache memory with the loop count. Parallel loop Transformers (PLT) alleviate this cost through cross-loop position offsets (CLP) and shared-KV gated sliding-window attention, making loop count a practical design choice. We therefore study PLT loop-count selection through a gain--cost view: an extra loop may refine representations, but CLP also introduces a positional mismatch at each loop boundary. We instantiate this study by training LoopCoder-v2, a family of 7B PLT coders with different loop counts, from scratch on 18T tokens, followed by matched instruction tuning and evaluation. Empirically, the two-loop variant delivers broad gains over the non-looped baseline across code generation, code reasoning, agentic software engineering, and tool-use benchmarks, improving SWE-bench Verified from 43.0 to 64.4 points and Multi-SWE from 14.0 to 31.0 points. In contrast, variants with three or more loops regress, revealing a strongly non-monotonic loop-count effect. Our diagnostics show that loop 2 provides the main productive refinement, while later loops yield diminishing, oscillatory updates and reduced representational diversity. Because the CLP-induced mismatch remains roughly fixed as refinement gains shrink, the offset cost increasingly dominates. This gain--cost trade-off explains PLT's saturation at two loops and provides diagnostics for loop-count selection.

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.

Consistently checking the statistical significance of experimental results is one of the mandatory methodological steps to address the so-called "reproducibility crisis" in deep reinforcement learning. In this tutorial paper, we explain how the number of random seeds relates to the probabilities of statistical errors. For both the t-test and the bootstrap confidence interval test, we recall theoretical guidelines to determine the number of random seeds one should use to provide a statistically significant comparison of the performance of two algorithms. Finally, we discuss the influence of deviations from the assumptions usually made by statistical tests. We show that they can lead to inaccurate evaluations of statistical errors and provide guidelines to counter these negative effects. We make our code available to perform the tests.

Sampling is a basic operation in many inference-time algorithms of large language models (LLMs). To scale up inference efficiently with a limited compute, it is crucial to find an optimal allocation for sample compute budgets: Which sampling configurations (model, temperature, language, etc.) do we use? How many samples do we generate in each configuration? We formulate these choices as a learning problem and propose OSCA, an algorithm that Optimizes Sample Compute Allocation by finding an optimal mix of different inference configurations. Our experiments show that with our learned mixed allocation, we can achieve accuracy better than the best single configuration with 128x less compute on code generation and 25x less compute on 4 reasoning tasks. OSCA is also shown to be effective in agentic workflows beyond single-turn tasks, achieving a better accuracy on SWE-Bench with 3x less compute than the default configuration. Our code and generations are released at https://github.com/LeiLiLab/OSCA.

Software repositories is one of the sources of data in Empirical Software Engineering, primarily in the Mining Software Repositories field, aimed at extracting knowledge from the dynamics and practice of software projects. With the emergence of social coding platforms such as GitHub, researchers have now access to millions of software repositories to use as source data for their studies. With this massive amount of data, sampling techniques are needed to create more manageable datasets. The creation of these datasets is a crucial step, and researchers have to carefully select the repositories to create representative samples according to a set of variables of interest. However, current sampling methods are often based on random selection or rely on variables which may not be related to the research study (e.g., popularity or activity). In this paper, we present a methodology for creating representative samples of software repositories, where such representativeness is properly aligned with both the characteristics of the population of repositories and the requirements of the empirical study. We illustrate our approach with use cases based on Hugging Face repositories.

Despite their ubiquity in language generation, it remains unknown why truncation sampling heuristics like nucleus sampling are so effective. We provide a theoretical explanation for the effectiveness of the truncation sampling by proving that truncation methods that discard tokens below some probability threshold (the most common type of truncation) can guarantee that all sampled tokens have nonzero true probability. However, thresholds are a coarse heuristic, and necessarily discard some tokens with nonzero true probability as well. In pursuit of a more precise sampling strategy, we show that we can leverage a known source of model errors, the softmax bottleneck, to prove that certain tokens have nonzero true probability, without relying on a threshold. Based on our findings, we develop an experimental truncation strategy and the present pilot studies demonstrating the promise of this type of algorithm. Our evaluations show that our method outperforms its threshold-based counterparts under automatic and human evaluation metrics for low-entropy (i.e., close to greedy) open-ended text generation. Our theoretical findings and pilot experiments provide both insight into why truncation sampling works, and make progress toward more expressive sampling algorithms that better surface the generative capabilities of large language models.

Reinforcement Learning algorithms that learn from human feedback (RLHF) need to be efficient in terms of statistical complexity, computational complexity, and query complexity. In this work, we consider the RLHF setting where the feedback is given in the format of preferences over pairs of trajectories. In the linear MDP model, using randomization in algorithm design, we present an algorithm that is sample efficient (i.e., has near-optimal worst-case regret bounds) and has polynomial running time (i.e., computational complexity is polynomial with respect to relevant parameters). Our algorithm further minimizes the query complexity through a novel randomized active learning procedure. In particular, our algorithm demonstrates a near-optimal tradeoff between the regret bound and the query complexity. To extend the results to more general nonlinear function approximation, we design a model-based randomized algorithm inspired by the idea of Thompson sampling. Our algorithm minimizes Bayesian regret bound and query complexity, again achieving a near-optimal tradeoff between these two quantities. Computation-wise, similar to the prior Thompson sampling algorithms under the regular RL setting, the main computation primitives of our algorithm are Bayesian supervised learning oracles which have been heavily investigated on the empirical side when applying Thompson sampling algorithms to RL benchmark problems.

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.

Variational inference using the reparameterization trick has enabled large-scale approximate Bayesian inference in complex probabilistic models, leveraging stochastic optimization to sidestep intractable expectations. The reparameterization trick is applicable when we can simulate a random variable by applying a differentiable deterministic function on an auxiliary random variable whose distribution is fixed. For many distributions of interest (such as the gamma or Dirichlet), simulation of random variables relies on acceptance-rejection sampling. The discontinuity introduced by the accept-reject step means that standard reparameterization tricks are not applicable. We propose a new method that lets us leverage reparameterization gradients even when variables are outputs of a acceptance-rejection sampling algorithm. Our approach enables reparameterization on a larger class of variational distributions. In several studies of real and synthetic data, we show that the variance of the estimator of the gradient is significantly lower than other state-of-the-art methods. This leads to faster convergence of stochastic gradient variational inference.

Mapping sequences of discrete data to a point in a continuous space makes it difficult to retrieve those sequences via random sampling. Mapping the input to a volume would make it easier to retrieve at test time, and that's the strategy followed by the family of approaches based on Variational Autoencoder. However the fact that they are at the same time optimizing for prediction and for smoothness of representation, forces them to trade-off between the two. We improve on the performance of some of the standard methods in deep learning to generate sentences by uniformly sampling a continuous space. We do it by proposing AriEL, that constructs volumes in a continuous space, without the need of encouraging the creation of volumes through the loss function. We first benchmark on a toy grammar, that allows to automatically evaluate the language learned and generated by the models. Then, we benchmark on a real dataset of human dialogues. Our results indicate that the random access to the stored information is dramatically improved, and our method AriEL is able to generate a wider variety of correct language by randomly sampling the latent space. VAE follows in performance for the toy dataset while, AE and Transformer follow for the real dataset. This partially supports to the hypothesis that encoding information into volumes instead of into points, can lead to improved retrieval of learned information with random sampling. This can lead to better generators and we also discuss potential disadvantages.

Post-training of language models is commonly framed as a sample-score-update loop implemented by gradient descent. A recent line of work, exemplified by RandOpt, relocates this loop to weight space, sampling Gaussian perturbations around a pretrained model and ensembling the top-K rewarded specialists at inference. While competitive with PPO and GRPO under matched training compute, this prediction-level ensemble incurs K forward passes per test example and does not extend cleanly to free-form generation. We ask whether the rewarded population can instead be folded into a single deployable model, replacing the inference-time ensemble with one consolidated update. A split-half analysis over 25 model-task pairs reveals reproducible low-rank structure in every case. We turn this geometry into CoRP (Consolidating Rewarded Perturbations), a gradient-free operator that combines reward-weighted aggregation, compatibility-aware reweighting, and a held-out validation gate, with no gradient flowing through the language model. Across five language models from 0.5B to 8B and five tasks covering math, code, and creative writing, CoRP improves the base model by 8.1 points on average. Using one tenth of RandOpt's perturbation budget, CoRP exceeds single-inference RandOpt by 6.5 points and recovers more than half of the gain of the 50-pass majority-vote ensemble, at one forward pass per test example.

A graph homomorphism is a map between two graphs that preserves adjacency relations. We consider the problem of sampling a random graph homomorphism from a graph into a large network. We propose two complementary MCMC algorithms for sampling random graph homomorphisms and establish bounds on their mixing times and the concentration of their time averages. Based on our sampling algorithms, we propose a novel framework for network data analysis that circumvents some of the drawbacks in methods based on independent and neighborhood sampling. Various time averages of the MCMC trajectory give us various computable observables, including well-known ones such as homomorphism density and average clustering coefficient and their generalizations. Furthermore, we show that these network observables are stable with respect to a suitably renormalized cut distance between networks. We provide various examples and simulations demonstrating our framework through synthetic networks. We also demonstrate the performance of our framework on the tasks of network clustering and subgraph classification on the Facebook100 dataset and on Word Adjacency Networks of a set of classic novels.

We present an approach called Q-probing to adapt a pre-trained language model to maximize a task-specific reward function. At a high level, Q-probing sits between heavier approaches such as finetuning and lighter approaches such as few shot prompting, but can also be combined with either. The idea is to learn a simple linear function on a model's embedding space that can be used to reweight candidate completions. We theoretically show that this sampling procedure is equivalent to a KL-constrained maximization of the Q-probe as the number of samples increases. To train the Q-probes we consider either reward modeling or a class of novel direct policy learning objectives based on importance weighted policy gradients. With this technique, we see gains in domains with ground-truth rewards (code generation) as well as implicit rewards defined by preference data, even outperforming finetuning in data-limited regimes. Moreover, a Q-probe can be trained on top of an API since it only assumes access to sampling and embeddings. Code: https://github.com/likenneth/q_probe .

During the last decade, sampling-based path planning algorithms, such as Probabilistic RoadMaps (PRM) and Rapidly-exploring Random Trees (RRT), have been shown to work well in practice and possess theoretical guarantees such as probabilistic completeness. However, little effort has been devoted to the formal analysis of the quality of the solution returned by such algorithms, e.g., as a function of the number of samples. The purpose of this paper is to fill this gap, by rigorously analyzing the asymptotic behavior of the cost of the solution returned by stochastic sampling-based algorithms as the number of samples increases. A number of negative results are provided, characterizing existing algorithms, e.g., showing that, under mild technical conditions, the cost of the solution returned by broadly used sampling-based algorithms converges almost surely to a non-optimal value. The main contribution of the paper is the introduction of new algorithms, namely, PRM* and RRT*, which are provably asymptotically optimal, i.e., such that the cost of the returned solution converges almost surely to the optimum. Moreover, it is shown that the computational complexity of the new algorithms is within a constant factor of that of their probabilistically complete (but not asymptotically optimal) counterparts. The analysis in this paper hinges on novel connections between stochastic sampling-based path planning algorithms and the theory of random geometric graphs.

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.

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.

To train accurate deep object detectors under the extreme foreground-background imbalance, heuristic sampling methods are always necessary, which either re-sample a subset of all training samples (hard sampling methods, \eg biased sampling, OHEM), or use all training samples but re-weight them discriminatively (soft sampling methods, \eg Focal Loss, GHM). In this paper, we challenge the necessity of such hard/soft sampling methods for training accurate deep object detectors. While previous studies have shown that training detectors without heuristic sampling methods would significantly degrade accuracy, we reveal that this degradation comes from an unreasonable classification gradient magnitude caused by the imbalance, rather than a lack of re-sampling/re-weighting. Motivated by our discovery, we propose a simple yet effective Sampling-Free mechanism to achieve a reasonable classification gradient magnitude by initialization and loss scaling. Unlike heuristic sampling methods with multiple hyperparameters, our Sampling-Free mechanism is fully data diagnostic, without laborious hyperparameters searching. We verify the effectiveness of our method in training anchor-based and anchor-free object detectors, where our method always achieves higher detection accuracy than heuristic sampling methods on COCO and PASCAL VOC datasets. Our Sampling-Free mechanism provides a new perspective to address the foreground-background imbalance. Our code is released at https://github.com/ChenJoya/sampling-free.

Consider a fixed universe of N=2^n elements and the uniform distribution over elements of some subset of size K. Given samples from this distribution, the task of complement sampling is to provide a sample from the complementary subset. We give a simple quantum algorithm that uses only a single quantum sample -- a single copy of the uniform superposition over elements of the subset. When K=N/2, we show that the quantum algorithm succeeds with probability 1, whereas any classical algorithm that succeeds with bounded probability of error requires a number of samples of the order of N. This shows that in a sample-to-sample setting, quantum computation can achieve the largest possible separation over classical computation. We show that the same bound can be lifted to prove average-case hardness, paving the way for demonstrations on noisy intermediate-scale quantum (NISQ) computers. It follows that under the assumption of the existence of one-way functions, complement sampling gives provable, verifiable and NISQable quantum advantage in a sample complexity setting.

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.

We introduce Reprompting, an iterative sampling algorithm that searches for the Chain-of-Thought (CoT) recipes for a given task without human intervention. Through Gibbs sampling, we infer CoT recipes that work consistently well for a set of training samples. Our method iteratively samples new recipes using previously sampled solutions as parent prompts to solve other training problems. On five Big-Bench Hard tasks that require multi-step reasoning, Reprompting achieves consistently better performance than the zero-shot, few-shot, and human-written CoT baselines. Reprompting can also facilitate transfer of knowledge from a stronger model to a weaker model leading to substantially improved performance of the weaker model. Overall, Reprompting brings up to +17 point improvements over the previous state-of-the-art method that uses human-written CoT prompts.

We show that classifiers trained with random region proposals achieve state-of-the-art Open-world Object Detection (OWOD): they can not only maintain the accuracy of the known objects (w/ training labels), but also considerably improve the recall of unknown ones (w/o training labels). Specifically, we propose RandBox, a Fast R-CNN based architecture trained on random proposals at each training iteration, surpassing existing Faster R-CNN and Transformer based OWOD. Its effectiveness stems from the following two benefits introduced by randomness. First, as the randomization is independent of the distribution of the limited known objects, the random proposals become the instrumental variable that prevents the training from being confounded by the known objects. Second, the unbiased training encourages more proposal explorations by using our proposed matching score that does not penalize the random proposals whose prediction scores do not match the known objects. On two benchmarks: Pascal-VOC/MS-COCO and LVIS, RandBox significantly outperforms the previous state-of-the-art in all metrics. We also detail the ablations on randomization and loss designs. Codes are available at https://github.com/scuwyh2000/RandBox.

Recently, large language models (LLMs) have demonstrated excellent performance in understanding human instructions and generating code, which has inspired researchers to explore the feasibility of generating RTL code with LLMs. However, the existing approaches to fine-tune LLMs on RTL codes typically are conducted on fixed datasets, which do not fully stimulate the capability of LLMs and require large amounts of reference data. To mitigate these issues , we introduce a simple yet effective iterative training paradigm named ITERTL. During each iteration, samples are drawn from the model trained in the previous cycle. Then these new samples are employed for training in this loop. Through this iterative approach, the distribution mismatch between the model and the training samples is reduced. Additionally, the model is thus enabled to explore a broader generative space and receive more comprehensive feedback. Theoretical analyses are conducted to investigate the mechanism of the effectiveness. Experimental results show the model trained through our proposed approach can compete with and even outperform the state-of-the-art (SOTA) open-source model with nearly 37\% reference samples, achieving remarkable 42.9\% and 62.2\% pass@1 rate on two VerilogEval evaluation datasets respectively. While using the same amount of reference samples, our method can achieved a relative improvement of 16.9\% and 12.5\% in pass@1 compared to the non-iterative method. This study facilitates the application of LLMs for generating RTL code in practical scenarios with limited data.

Scaling Transformer-based click-through rate (CTR) models by stacking more parameters brings growing computational and storage overhead, creating a widening gap between scaling ambitions and the stringent industrial deployment constraints. We propose LoopCTR, which introduces a loop scaling paradigm that increases training-time computation through recursive reuse of shared model layers, decoupling computation from parameter growth. LoopCTR adopts a sandwich architecture enhanced with Hyper-Connected Residuals and Mixture-of-Experts, and employs process supervision at every loop depth to encode multi-loop benefits into the shared parameters. This enables a train-multi-loop, infer-zero-loop strategy where a single forward pass without any loop already outperforms all baselines. Experiments on three public benchmarks and one industrial dataset demonstrate state-of-the-art performance. Oracle analysis further reveals 0.02--0.04 AUC of untapped headroom, with models trained with fewer loops exhibiting higher oracle ceilings, pointing to a promising frontier for adaptive inference.

Large language models (LLMs), despite their impressive performance across a wide range of tasks, often struggle to balance two competing objectives in open-ended text generation: fostering diversity and creativity while preserving logical coherence. Existing truncated sampling techniques, including temperature scaling, top-\p (nucleus) sampling, and min-\p sampling, aim to manage this trade-off. However, they exhibit limitations, particularly in the effective incorporation of the confidence of the model into the corresponding sampling strategy. For example, min-\p sampling relies on a single top token as a heuristic for confidence, eventually underutilizing the information of the probability distribution. Toward effective incorporation of the confidence of the model, in this paper, we present **top-H** decoding. We first establish the theoretical foundation of the interplay between creativity and coherence in truncated sampling by formulating an **entropy-constrained minimum divergence** problem. We then prove this minimization problem to be equivalent to an **entropy-constrained mass maximization** (ECMM) problem, which is NP-hard. Finally, we present top-H decoding, a computationally efficient greedy algorithm to solve the ECMM problem. Extensive empirical evaluations demonstrate that top-H outperforms the state-of-the-art (SoTA) alternative of min-\p sampling by up to **25.63%** on creative writing benchmarks, while maintaining robustness on question-answering datasets such as GPQA, GSM8K, and MT-Bench. Additionally, an *LLM-as-judge* evaluation confirms that top-H indeed produces coherent outputs even at higher temperatures, where creativity is especially critical. In summary, top-H advances SoTA in open-ended text generation and can be *easily integrated* into creative writing applications. The code is available at https://github.com/ErfanBaghaei/Top-H-Decoding.

Data quality and diversity are key to the construction of effective instruction-tuning datasets. % With the increasing availability of open-source instruction-tuning datasets, it is advantageous to automatically select high-quality and diverse subsets from a vast amount of data. % Existing methods typically prioritize instance quality and use heuristic rules to maintain diversity. % However, this absence of a comprehensive view of the entire collection often leads to suboptimal results. % Moreover, heuristic rules generally focus on distance or clustering within the embedding space, which fails to accurately capture the intent of complex instructions in the semantic space. % To bridge this gap, we propose a unified method for quantifying the information content of datasets. This method models the semantic space by constructing a label graph and quantifies diversity based on the distribution of information within the graph. % Based on such a measurement, we further introduce an efficient sampling method that selects data samples iteratively to Maximize the Information Gain (MIG) in semantic space. % Experiments on various datasets and base models demonstrate that MIG consistently outperforms state-of-the-art methods. % Notably, the model fine-tuned with 5\% Tulu3 data sampled by MIG achieves comparable performance to the official SFT model trained on the full dataset, with improvements of +5.73\% on AlpacaEval and +6.89\% on Wildbench.

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.

Selecting high-quality and diverse training samples from extensive datasets plays a crucial role in reducing training overhead and enhancing the performance of Large Language Models (LLMs). However, existing studies fall short in assessing the overall value of selected data, focusing primarily on individual quality, and struggle to strike an effective balance between ensuring diversity and minimizing data point traversals. Therefore, this paper introduces a novel choice-based sample selection framework that shifts the focus from evaluating individual sample quality to comparing the contribution value of different samples when incorporated into the subset. Thanks to the advanced language understanding capabilities of LLMs, we utilize LLMs to evaluate the value of each option during the selection process. Furthermore, we design a greedy sampling process where samples are incrementally added to the subset, thereby improving efficiency by eliminating the need for exhaustive traversal of the entire dataset with the limited budget. Extensive experiments demonstrate that selected data from our method not only surpass the performance of the full dataset but also achieves competitive results with state-of-the-art (SOTA) studies, while requiring fewer selections. Moreover, we validate our approach on a larger medical dataset, highlighting its practical applicability in real-world applications.

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.

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.

Diverse outputs in text generation are necessary for effective exploration in complex reasoning tasks, such as code generation and mathematical problem solving. Such Pass@k problems benefit from distinct candidates covering the solution space. However, traditional sampling approaches often waste computational resources on repetitive failure modes. While Diffusion Language Models have emerged as a competitive alternative to the prevailing Autoregressive paradigm, they remain susceptible to this redundancy, with independent samples frequently collapsing into similar modes. To address this, we propose a training free, low cost intervention to enhance generative diversity in Diffusion Language Models. Our approach modifies intermediate samples in a batch sequentially, where each sample is repelled from the feature space of previous samples, actively penalising redundancy. Unlike prior methods that require retraining or beam search, our strategy incurs negligible computational overhead, while ensuring that each sample contributes a unique perspective to the batch. We evaluate our method on the HumanEval and GSM8K benchmarks using the LLaDA-8B-Instruct model. Our results demonstrate significantly improved diversity and Pass@k performance across various temperature settings. As a simple modification to the sampling process, our method offers an immediate, low-cost improvement for current and future Diffusion Language Models in tasks that benefit from diverse solution search. We make our code available at https://github.com/sean-lamont/odd.

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.

Recent soft prompt research has tried to improve reasoning by inserting trained vectors into LLM inputs, yet whether the gain comes from the learned content or from the act of injection itself has not been carefully separated. We study Random Soft Prompts (RSPs), which drop the training step entirely and append a freshly drawn sequence of random embedding vectors to the input. Each RSP vector is sampled from an isotropic Gaussian fitted to the entrywise mean and variance of the pretrained embedding table; the sequence carries no learned content, and yet reaches accuracy comparable to optimized soft prompts on math reasoning benchmarks in several settings. The mechanism unfolds in two stages: because attention has to absorb a never-seen-before random position, the distribution over the first few generated tokens flattens and reasoning trajectories branch, and as generation continues this influence dilutes naturally so the response commits to a single completion. We show that during inference RSPs lift early-stage token diversity and, combined with temperature sampling, widen Pass@N, the probability that at least one out of N attempts is correct. Beyond inference, we carry the same effect into DAPO training and demonstrate practical gains. Our contributions are: (i) RSP isolates the simplest form of soft prompt -- training-free, freshly resampled -- providing a unified lens for the structural effect of injection that variants otherwise differing in training and form all share; (ii) a theoretical and empirical validation of the underlying mechanism; and (iii) an extension from inference to training.

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.

With local differential privacy (LDP), users can privatize their data and thus guarantee privacy properties before transmitting it to the server (a.k.a. the aggregator). One primary objective of LDP is frequency (or histogram) estimation, in which the aggregator estimates the number of users for each possible value. In practice, when a study with rich content on a population is desired, the interest is in the multiple attributes of the population, that is to say, in multidimensional data (d geq 2). However, contrary to the problem of frequency estimation of a single attribute (the majority of the works), the multidimensional aspect imposes to pay particular attention to the privacy budget. This one can indeed grow extremely quickly due to the composition theorem. To the authors' knowledge, two solutions seem to stand out for this task: 1) splitting the privacy budget for each attribute, i.e., send each value with fracε{d}-LDP (Spl), and 2) random sampling a single attribute and spend all the privacy budget to send it with ε-LDP (Smp). Although Smp adds additional sampling error, it has proven to provide higher data utility than the former Spl solution. However, we argue that aggregators (who are also seen as attackers) are aware of the sampled attribute and its LDP value, which is protected by a "less strict" e^ε probability bound (rather than e^{ε/d}). This way, we propose a solution named Random Sampling plus Fake Data (RS+FD), which allows creating uncertainty over the sampled attribute by generating fake data for each non-sampled attribute; RS+FD further benefits from amplification by sampling. We theoretically and experimentally validate our proposed solution on both synthetic and real-world datasets to show that RS+FD achieves nearly the same or better utility than the state-of-the-art Smp solution.

Code Large Language Models (CodeLLMs) are increasingly used in code generation tasks across a wide range of applications. However, their performance is often inconsistent across different programming languages (PLs), with low-resource PLs suffering the most due to limited training data. In this paper, we present CodeChemist, a novel and efficient framework for test-time scaling that enables functional knowledge transfer from high-resource to low-resource PLs using generated test cases. CodeChemist first generates and executes code in high-resource PLs to create test cases that encapsulate functional knowledge. It then uses multi-temperature hedged sampling to generate code snippets in the low-resource PL and selects the best one based on the pass rate of the test cases. Our extensive experiments show that CodeChemist outperforms existing test-time scaling approaches, boosting the performance of code generation for low-resource PLs without requiring any model retraining.

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.

Thompson sampling is an algorithm for online decision problems where actions are taken sequentially in a manner that must balance between exploiting what is known to maximize immediate performance and investing to accumulate new information that may improve future performance. The algorithm addresses a broad range of problems in a computationally efficient manner and is therefore enjoying wide use. This tutorial covers the algorithm and its application, illustrating concepts through a range of examples, including Bernoulli bandit problems, shortest path problems, product recommendation, assortment, active learning with neural networks, and reinforcement learning in Markov decision processes. Most of these problems involve complex information structures, where information revealed by taking an action informs beliefs about other actions. We will also discuss when and why Thompson sampling is or is not effective and relations to alternative algorithms.

We study infinite-horizon average-reward Markov decision processes (AMDPs) in the context of general function approximation. Specifically, we propose a novel algorithmic framework named Local-fitted Optimization with OPtimism (LOOP), which incorporates both model-based and value-based incarnations. In particular, LOOP features a novel construction of confidence sets and a low-switching policy updating scheme, which are tailored to the average-reward and function approximation setting. Moreover, for AMDPs, we propose a novel complexity measure -- average-reward generalized eluder coefficient (AGEC) -- which captures the challenge of exploration in AMDPs with general function approximation. Such a complexity measure encompasses almost all previously known tractable AMDP models, such as linear AMDPs and linear mixture AMDPs, and also includes newly identified cases such as kernel AMDPs and AMDPs with Bellman eluder dimensions. Using AGEC, we prove that LOOP achieves a sublinear mathcal{O}(poly(d, sp(V^*)) Tbeta ) regret, where d and beta correspond to AGEC and log-covering number of the hypothesis class respectively, sp(V^*) is the span of the optimal state bias function, T denotes the number of steps, and mathcal{O} (cdot) omits logarithmic factors. When specialized to concrete AMDP models, our regret bounds are comparable to those established by the existing algorithms designed specifically for these special cases. To the best of our knowledge, this paper presents the first comprehensive theoretical framework capable of handling nearly all AMDPs.

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.

Decoding sits between a language model and everything we do with it, yet it is still treated as a heuristic knob-tuning exercise. We argue decoding should be understood as a principled optimisation layer: at each token, we solve a regularised problem over the probability simplex that trades off model score against structural preferences and constraints. This single template recovers greedy decoding, Softmax sampling, Top-K, Top-P, and Sparsemax-style sparsity as special cases, and explains their common structure through optimality conditions. More importantly, the framework makes it easy to invent new decoders without folklore. We demonstrate this by designing Best-of-K (BoK), a KL-anchored coverage objective aimed at multi-sample pipelines (self-consistency, reranking, verifier selection). BoK targets the probability of covering good alternatives within a fixed K-sample budget and improves empirical performance. We show that such samples can improve accuracy by, for example, +18.6% for Qwen2.5-Math-7B on MATH500 at high sampling temperatures.

Language models are increasingly used in scientific discovery to generate hypotheses, propose candidate solutions, implement systems, and iteratively refine them. At the core of these trial-and-error loops lies evaluation: the process of obtaining feedback on candidate solutions via verifiers, simulators, or task-specific scoring functions. While prior work has highlighted the importance of evaluation, it has not explicitly formulated the problem of how evaluation-driven discovery loops can be scaled up in a principled and effective manner to push the boundaries of scientific discovery, a problem this paper seeks to address. We introduce Simple Test-time Evaluation-driven Scaling (SimpleTES), a general framework that strategically combines parallel exploration, feedback-driven refinement, and local selection, revealing substantial gains unlocked by scaling evaluation-driven discovery loops along the right dimensions. Across 21 scientific problems spanning six domains, SimpleTES discovers state-of-the-art solutions using gpt-oss models, consistently outperforming both frontier-model baselines and sophisticated optimization pipelines. Particularly, we sped up the widely used LASSO algorithm by over 2x, designed quantum circuit routing policies that reduce gate overhead by 24.5%, and discovered new Erdos minimum overlap constructions that surpass the best-known results. Beyond novel discoveries, SimpleTES produces trajectory-level histories that naturally supervise feedback-driven learning. When post-trained on successful trajectories, models not only improve efficiency on seen problems but also generalize to unseen problems, discovering solutions that base models fail to uncover. Together, our results establish effective evaluation-driven loop scaling as a central axis for advancing LLM-driven scientific discovery, and provide a simple yet practical framework for realizing these gains.

Applying Reinforcement Learning (RL) to sequence generation models enables the direct optimization of long-term rewards (e.g., BLEU and human feedback), but typically requires large-scale sampling over a space of action sequences. This is a computational challenge as presented by the practice of sequence generation problems, such as machine translation, where we often deal with a large action space (e.g., a vocabulary) and a long action sequence (e.g., a translation). In this work, we introduce two-stage sampling and dynamic sampling approaches to improve the sampling efficiency during training sequence generation models via RL. We experiment with our approaches on the traditional sequence generation tasks, including machine translation and abstractive summarization. Furthermore, we evaluate our approaches in RL from human feedback (RLHF) through training a large language model using the reward model. Experimental results show that the efficient sampling-based RL, referred to as ESRL, can outperform all baselines in terms of both training efficiency and memory consumption. Notably, ESRL yields consistent performance gains over the strong REINFORCE, minimum risk training, and proximal policy optimization methods.

Finetuning large language models on instruction data is crucial for enhancing pre-trained knowledge and improving instruction-following capabilities. As instruction datasets proliferate, selecting optimal data for effective training becomes increasingly important. This work addresses the question: How can we determine the optimal subset of data for effective training? While existing research often emphasizes local criteria like instance quality for subset selection, we argue that a global approach focused on data diversity is more critical. Our method employs k-means clustering to ensure the selected subset effectively represents the full dataset. We propose an iterative refinement method inspired by active learning techniques to resample instances from clusters, reassessing each cluster's importance and sampling weight in every training iteration. This approach reduces the effect of outliers and automatically filters out clusters containing low-quality data. Through extensive evaluation across natural language reasoning, general world knowledge, code and math reasoning tasks, and by fine-tuning models from various families, we observe consistent improvements, achieving a 7% increase over random selection and a 3.8% improvement over state-of-the-art sampling methods. Our work highlights the significance of diversity-first sampling when finetuning LLMs to enhance performance across a broad array of evaluation tasks. Our code is available at https://github.com/for-ai/iterative-data-selection.

In open-ended natural-language generation, existing text decoding methods typically struggle to produce text which is both diverse and high-quality. Greedy and beam search are known to suffer from text degeneration and linguistic diversity issues, while temperature, top-k, and nucleus sampling often yield diverse but low-quality outputs. In this work, we present crowd sampling, a family of decoding methods based on Bayesian risk minimization, to address this diversity-quality trade-off. Inspired by the principle of "the wisdom of the crowd," crowd sampling seeks to select a candidate from a pool of candidates that has the least expected risk (i.e., highest expected reward) under a generative model according to a given utility function. Crowd sampling can be seen as a generalization of numerous existing methods, including majority voting, and in practice, it can be used as a drop-in replacement for existing sampling methods. Extensive experiments show that crowd sampling delivers improvements of 3-7 ROUGE and BLEU points across a wide range of tasks, including summarization, data-to-text, translation, and textual style transfer, while achieving new state-of-the-art results on WebNLG and WMT'16.

Recent large-scale neural autoregressive sequence models have shown impressive performances on a variety of natural language generation tasks. However, their generated sequences often exhibit degenerate properties such as non-termination, undesirable repetition, and premature termination, when generated with decoding algorithms such as greedy search, beam search, top-k sampling, and nucleus sampling. In this paper, we focus on the problem of non-terminating sequences resulting from an incomplete decoding algorithm. We first define an incomplete probable decoding algorithm which includes greedy search, top-k sampling, and nucleus sampling, beyond the incomplete decoding algorithm originally put forward by Welleck et al. (2020). We then propose a non-monotonic self-terminating language model, which significantly relaxes the constraint of monotonically increasing termination probability in the originally proposed self-terminating language model by Welleck et al. (2020), to address the issue of non-terminating sequences when using incomplete probable decoding algorithms. We prove that our proposed model prevents non-terminating sequences when using not only incomplete probable decoding algorithms but also beam search. We empirically validate our model on sequence completion tasks with various architectures.

Providers of LLM-as-a-service have predominantly adopted a simple pricing model: users pay a fixed price per token. Consequently, one may think that the price two different users would pay for the same output string under the same input prompt is the same. In our work, we show that, surprisingly, this is not (always) true. We find empirical evidence that, particularly for non-english outputs, both proprietary and open-weights LLMs often generate the same (output) string with multiple different tokenizations, even under the same input prompt, and this in turn leads to arbitrary price variation. To address the problem of tokenization multiplicity, we introduce canonical generation, a type of constrained generation that restricts LLMs to only generate canonical tokenizations -- the unique tokenization in which each string is tokenized during the training process of an LLM. Further, we introduce an efficient sampling algorithm for canonical generation based on the Gumbel-Max trick. Experiments on a variety of natural language tasks demonstrate that our sampling algorithm for canonical generation is comparable to standard sampling in terms of performance and runtime, and it solves the problem of tokenization multiplicity.

Code Large Language Models (CodeLLMs) have ushered in a new era of code generation advancements. However, selecting the best solutions from among all possible CodeLLM solutions remains a challenge. Previous methods frequently overlooked the intricate functional similarities and interactions between clusters, resulting in suboptimal results. In this work, we introduce SRank, a novel reranking strategy for selecting the best solution from code generation that focuses on modeling inter-cluster relationship. By quantifying the functional overlap between clusters, our approach provides a better ranking strategy of code solutions. Empirical results show that our method achieves a remarkable results on pass@1 score. For instance, on the Human-Eval benchmark, we achieve 69.66\% in pass@1 with Codex002, 75.31\% for WizardCoder, 53.99\% for StarCoder and 60.55\% for CodeGen, which surpass the state-of-the-arts solution ranking methods, such as CodeT and Coder-Reviewer on the same CodeLLM with significant margin (approx 6.1% improvement on average). Comparing to the random sampling method, we can achieve an average improvement of approx 23.07% on Human-Eval and 17.64\% on MBPP. Even in scenarios with limited test inputs, our approach demonstrates robustness and superiority, marking a new state-of-the-arts in code generation reranking.

Reinforcement learning (RL) is a central approach for improving reasoning capabilities in large language models (LLMs), where training efficiency depends critically on how problems are sampled during optimization. Existing adaptive curriculum learning methods typically prioritize prompts of intermediate difficulty, treating problem selection as a standard bandit problem with independent arms and overlooking the structured, heterogeneous nature of the task space. In this work, we frame problem sampling as a manifold-structured bandit problem with endogenous non-stationarity: problems are related through the model's latent representation space, and sampling decisions can steer how learning signals evolve across that space. To operationalize this perspective, we introduce Bayesian Manifold Curriculum (BMC), a structure-aware framework that organizes problems into a hierarchical task tree and applies Bayesian learning to guide sampling. Empirically, we find that different sampling strategies induce non-trivial tradeoffs between productivity (learning signal), diversity (coverage of the task manifold), and utility (evaluation relevance). These results show that prioritizing difficulty alone is insufficient for strong downstream performance, highlighting the importance of incorporating structure and type-awareness into problem sampling.

In molecular dynamics (MD) simulations, rare events, such as protein folding, are typically studied by means of enhanced sampling techniques, most of which rely on the definition of a collective variable (CV) along which the acceleration occurs. Obtaining an expressive CV is crucial, but often hindered by the lack of information about the particular event, e.g., the transition from unfolded to folded conformation. We propose a simulation-free data augmentation strategy using physics-inspired metrics to generate geodesic interpolations resembling protein folding transitions, thereby improving sampling efficiency without true transition state samples. Leveraging interpolation progress parameters, we introduce a regression-based learning scheme for CV models, which outperforms classifier-based methods when transition state data is limited and noisy

Large Language Models (LLMs) generate longform text by successively sampling the next token based on the probability distribution of the token vocabulary at each decoding step. Current popular truncation sampling methods such as top-p sampling, also known as nucleus sampling, often struggle to balance coherence and creativity in generating text, particularly when using higher temperatures. To address this issue, we propose min-p, a dynamic truncation sampling method, that establishes a minimum base percentage threshold for tokens, which the scales according to the probability of the top candidate token. Through experiments on several benchmarks, such as GPQA, GSM8K and AlpacaEval Creative Writing, we demonstrate that min-p improves the coherence and quality of generated text even at high temperatures, while also facilitating more creative and diverse outputs compared to top-p and other sampling methods. As of writing, min-p has been adopted by multiple open-source LLM implementations, and have been independently assessed by members of the open-source LLM community, further validating its practical utility and potential.

Large language models (LLMs) have demonstrated an impressive ability to generate code for various programming tasks. In many instances, LLMs can generate a correct program for a task when given numerous trials. Consequently, a recent trend is to do large scale sampling of programs using a model and then filtering/ranking the programs based on the program execution on a small number of known unit tests to select one candidate solution. However, these approaches assume that the unit tests are given and assume the ability to safely execute the generated programs (which can do arbitrary dangerous operations such as file manipulations). Both of the above assumptions are impractical in real-world software development. In this paper, we propose CodeRanker, a neural ranker that can predict the correctness of a sampled program without executing it. Our CodeRanker is fault-aware i.e., it is trained to predict different kinds of execution information such as predicting the exact compile/runtime error type (e.g., an IndexError or a TypeError). We show that CodeRanker can significantly increase the pass@1 accuracy of various code generation models (including Codex, GPT-Neo, GPT-J) on APPS, HumanEval and MBPP datasets.

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.

Citizens' assemblies are a form of democratic innovation in which a randomly selected panel of constituents deliberates on questions of public interest. We study a novel goal for the selection of panel members: maximizing the entropy of the distribution over possible panels. We design algorithms that sample from maximum-entropy distributions, potentially subject to constraints on the individual selection probabilities. We investigate the properties of these algorithms theoretically, including in terms of their resistance to manipulation and transparency. We benchmark our algorithms on a large set of real assembly lotteries in terms of their intersectional diversity and the probability of satisfying unseen representation constraints, and we obtain favorable results on both measures. We deploy one of our algorithms on a website for citizens' assembly practitioners.

Given a database of bit strings A_1,ldots,A_min {0,1}^n, a fundamental data structure task is to estimate the distances between a given query Bin {0,1}^n with all the strings in the database. In addition, one might further want to ensure the integrity of the database by releasing these distance statistics in a secure manner. In this work, we propose differentially private (DP) data structures for this type of tasks, with a focus on Hamming and edit distance. On top of the strong privacy guarantees, our data structures are also time- and space-efficient. In particular, our data structure is epsilon-DP against any sequence of queries of arbitrary length, and for any query B such that the maximum distance to any string in the database is at most k, we output m distance estimates. Moreover, - For Hamming distance, our data structure answers any query in widetilde O(mk+n) time and each estimate deviates from the true distance by at most widetilde O(k/e^{epsilon/log k}); - For edit distance, our data structure answers any query in widetilde O(mk^2+n) time and each estimate deviates from the true distance by at most widetilde O(k/e^{epsilon/(log k log n)}). For moderate k, both data structures support sublinear query operations. We obtain these results via a novel adaptation of the randomized response technique as a bit flipping procedure, applied to the sketched strings.

Training Large Language Models (LLMs) with synthetic data is a prevalent practice in code generation. A key approach is self-training, where LLMs are iteratively trained on self-generated correct code snippets. In this case, the self-generated codes are drawn from a conditional distribution, conditioned on a specific seed description. However, the seed description is not the only valid representation that aligns with its intended meaning. With all valid descriptions and codes forming a joint space, codes drawn from the conditional distribution would lead to an underrepresentation of the full description-code space. As such, we propose Gibbs Fine-Tuning (GiFT), a novel self-training method inspired by Gibbs sampling. GiFT allows self-generated data to be drawn from the marginal distribution of the joint space, thereby mitigating the biases inherent in conditional sampling. We provide a theoretical analysis demonstrating the potential benefits of fine-tuning LLMs with code derived from the marginal distribution. Furthermore, we propose a perplexity-based code selection method to mitigate the imbalanced long-tail distribution of the self-generated codes. Empirical evaluation of two LLMs across four datasets demonstrates that GiFT achieves superior performance, particularly on more challenging benchmarks. Source code is available at https://github.com/Alex-HaochenLi/GiFT.

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.

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.

Code LLMs are being rapidly deployed and there is evidence that they can make professional programmers more productive. Current benchmarks for code generation measure whether models generate correct programs given an expert prompt. In this paper, we present a new benchmark containing multiple prompts per problem, written by a specific population of non-expert prompters: beginning programmers. StudentEval contains 1,749 prompts for 48 problems, written by 80 students who have only completed one semester of Python programming. Our students wrote these prompts while working interactively with a Code LLM, and we observed very mixed success rates. We use StudentEval to evaluate 5 Code LLMs and find that StudentEval is a better discriminator of model performance than existing benchmarks. We analyze the prompts and find significant variation in students' prompting techniques. We also find that nondeterministic LLM sampling could mislead students into thinking that their prompts are more (or less) effective than they actually are, which has implications for how to teach with Code LLMs.

We design a suite of minimal algorithmic tasks that are a loose abstraction of open-ended real-world tasks. This allows us to cleanly and controllably quantify the creative limits of the present-day language model. Much like real-world tasks that require a creative, far-sighted leap of thought, our tasks require an implicit, open-ended stochastic planning step that either (a) discovers new connections in an abstract knowledge graph (like in wordplay, drawing analogies, or research) or (b) constructs new patterns (like in designing math problems or new proteins). In these tasks, we empirically and conceptually argue how next-token learning is myopic and memorizes excessively; comparatively, multi-token approaches, namely teacherless training and diffusion models, excel in producing diverse and original output. Secondly, in our tasks, we find that to elicit randomness from the Transformer without hurting coherence, it is better to inject noise right at the input layer (via a method we dub hash-conditioning) rather than defer to temperature sampling from the output layer. Thus, our work offers a principled, minimal test-bed for analyzing open-ended creative skills, and offers new arguments for going beyond next-token learning and softmax-based sampling. We make part of the code available under https://github.com/chenwu98/algorithmic-creativity

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.

Efficient equilibrium sampling of molecular conformations remains a core challenge in computational chemistry and statistical inference. Classical approaches such as molecular dynamics or Markov chain Monte Carlo inherently lack amortization; the computational cost of sampling must be paid in-full for each system of interest. The widespread success of generative models has inspired interest into overcoming this limitation through learning sampling algorithms. Despite performing on par with conventional methods when trained on a single system, learned samplers have so far demonstrated limited ability to transfer across systems. We prove that deep learning enables the design of scalable and transferable samplers by introducing Prose, a 280 million parameter all-atom transferable normalizing flow trained on a corpus of peptide molecular dynamics trajectories up to 8 residues in length. Prose draws zero-shot uncorrelated proposal samples for arbitrary peptide systems, achieving the previously intractable transferability across sequence length, whilst retaining the efficient likelihood evaluation of normalizing flows. Through extensive empirical evaluation we demonstrate the efficacy of Prose as a proposal for a variety of sampling algorithms, finding a simple importance sampling-based finetuning procedure to achieve superior performance to established methods such as sequential Monte Carlo on unseen tetrapeptides. We open-source the Prose codebase, model weights, and training dataset, to further stimulate research into amortized sampling methods and finetuning objectives.

Human cognition naturally engages with abstract and fluid concepts, whereas existing reasoning models often rely on generating discrete tokens, potentially constraining their expressive capabilities. Recent advancements aim to address this limitation by enabling large language models (LLMs) to generate soft, abstract tokens, thus facilitating reasoning within a continuous concept space. This paper explores the `Soft Thinking' capabilities of various LLMs by examining the models' internal behavior using a suite of probing techniques. Contrary to the common belief that Soft Thinking enables the simultaneous exploration of diverse reasoning paths, our findings reveal that LLMs predominantly rely on the most influential component of the soft inputs during subsequent decoding steps. This reliance hinders the exploration of different reasoning paths and reduces vanilla Soft Thinking to a form of greedy decoding, obscuring the advantage of transmitting more information through Soft Tokens. To tackle this issue, we explore sampling strategies to introduce randomness, employing methods such as Dirichlet resampling and the Gumbel-Softmax trick. Our experiments demonstrate that incorporating randomness can alleviate the limitations of vanilla approaches and unleash the potential of Soft Thinking. Notably, the Gumbel-Softmax trick provides adequate randomness with controlled smoothness, resulting in superior performance across eight reasoning benchmarks.

Effective implementations of sampling-based probabilistic inference often require manually constructed, model-specific proposals. Inspired by recent progresses in meta-learning for training learning agents that can generalize to unseen environments, we propose a meta-learning approach to building effective and generalizable MCMC proposals. We parametrize the proposal as a neural network to provide fast approximations to block Gibbs conditionals. The learned neural proposals generalize to occurrences of common structural motifs across different models, allowing for the construction of a library of learned inference primitives that can accelerate inference on unseen models with no model-specific training required. We explore several applications including open-universe Gaussian mixture models, in which our learned proposals outperform a hand-tuned sampler, and a real-world named entity recognition task, in which our sampler yields higher final F1 scores than classical single-site Gibbs sampling.

Rapidly-exploring random trees (RRTs) are popular in motion planning because they find solutions efficiently to single-query problems. Optimal RRTs (RRT*s) extend RRTs to the problem of finding the optimal solution, but in doing so asymptotically find the optimal path from the initial state to every state in the planning domain. This behaviour is not only inefficient but also inconsistent with their single-query nature. For problems seeking to minimize path length, the subset of states that can improve a solution can be described by a prolate hyperspheroid. We show that unless this subset is sampled directly, the probability of improving a solution becomes arbitrarily small in large worlds or high state dimensions. In this paper, we present an exact method to focus the search by directly sampling this subset. The advantages of the presented sampling technique are demonstrated with a new algorithm, Informed RRT*. This method retains the same probabilistic guarantees on completeness and optimality as RRT* while improving the convergence rate and final solution quality. We present the algorithm as a simple modification to RRT* that could be further extended by more advanced path-planning algorithms. We show experimentally that it outperforms RRT* in rate of convergence, final solution cost, and ability to find difficult passages while demonstrating less dependence on the state dimension and range of the planning problem.

Consider a random uniform sample of n points in a compact region A of Euclidean d-space, d geq 2, with a smooth or (when d=2) polygonal boundary. Fix k bf N. Let T_{n,k} be the threshold r at which the geometric graph on these n vertices with distance parameter r becomes k-connected. We show that if d=2 then n (pi/|A|) T_{n,1}^2 - log n is asymptotically standard Gumbel. For (d,k) neq (2,1), it is n (theta_d/|A|) T_{n,k}^d - (2-2/d) log n - (4-2k-2/d) log log n that converges in distribution to a nondegenerate limit, where theta_d is the volume of the unit ball. The limit is Gumbel with scale parameter 2 except when (d,k)=(2,2) where the limit is two component extreme value distributed. The different cases reflect the fact that boundary effects are more more important in some cases than others. We also give similar results for the largest k-nearest neighbour link U_{n,k} in the sample, and show T_{n,k}=U_{n,k} with high probability. We provide estimates on rates of convergence and give similar results for Poisson samples in A. Finally, we give similar results even for non-uniform samples, with a less explicit sequence of centring constants.

Neural networks for image recognition have evolved through extensive manual design from simple chain-like models to structures with multiple wiring paths. The success of ResNets and DenseNets is due in large part to their innovative wiring plans. Now, neural architecture search (NAS) studies are exploring the joint optimization of wiring and operation types, however, the space of possible wirings is constrained and still driven by manual design despite being searched. In this paper, we explore a more diverse set of connectivity patterns through the lens of randomly wired neural networks. To do this, we first define the concept of a stochastic network generator that encapsulates the entire network generation process. Encapsulation provides a unified view of NAS and randomly wired networks. Then, we use three classical random graph models to generate randomly wired graphs for networks. The results are surprising: several variants of these random generators yield network instances that have competitive accuracy on the ImageNet benchmark. These results suggest that new efforts focusing on designing better network generators may lead to new breakthroughs by exploring less constrained search spaces with more room for novel design.

In recent years, many large directed networks such as online social networks are collected with the help of powerful data engineering and data storage techniques. Analyses of such networks attract significant attention from both the academics and industries. However, analyses of large directed networks are often time-consuming and expensive because the complexities of a lot of graph algorithms are often polynomial with the size of the graph. Hence, sampling algorithms that can generate graphs preserving properties of original graph are of great importance because they can speed up the analysis process. We propose a promising framework to sample directed graphs: Construct a sample graph with linearly rescaled Joint Degree Matrix (JDM) and Degree Correlation Matrix (DCM). Previous work shows that graphs with the same JDM and DCM will have a range of very similar graph properties. We also conduct experiments on real-world datasets to show that the numbers of non-zero entries in JDM and DCM are quite small compared to the number of edges and nodes. Adopting this framework, we propose a novel graph sampling algorithm that can provably preserves in-degree and out-degree distributions, which are two most fundamental properties of a graph. We also prove the upper bound for deviations in the joint degree distribution and degree correlation distribution, which correspond to JDM and DCM. Besides, we prove that the deviations in these distributions are negatively correlated with the sparsity of the JDM and DCM. Considering that these two matrices are always quite sparse, we believe that proposed algorithm will have a better-than-theory performance on real-world large directed networks.

Discrete diffusion models offer a promising alternative to autoregressive generation through parallel decoding, but they suffer from a sampling wall: once categorical sampling occurs, rich distributional information collapses into one-hot vectors and cannot be propagated across steps, forcing subsequent steps to operate with limited information. To mitigate this problem, we introduce Loopholing, a novel and simple mechanism that preserves this information via a deterministic latent pathway, leading to Loopholing Discrete Diffusion Models (LDDMs). Trained efficiently with a self-conditioning strategy, LDDMs achieve substantial gains-reducing generative perplexity by up to 61% over prior baselines, closing (and in some cases surpassing) the gap with autoregressive models, and producing more coherent text. Applied to reasoning tasks, LDDMs also improve performance on arithmetic benchmarks such as Countdown and Game of 24. These results also indicate that loopholing mitigates idle steps and oscillations, providing a scalable path toward high-quality non-autoregressive text generation.

Modern preference alignment techniques, such as Best-of-N (BoN) sampling, rely on reward models trained with pairwise comparison data. While effective at learning relative preferences, this paradigm fails to capture a signal of response acceptability, leaving systems vulnerable to selecting the least bad of many unacceptable options. This is particularly problematic for hard prompts, where the risk of such false acceptances increases with the number of samples. In this paper, we address this critical reliability gap by introducing a new data collection and modeling framework. By augmenting preference data with an outside option, inspired by discrete choice models, we train a reward model that can distinguish not just what is better, but what is good enough. We leverage this capability to create an adaptive inference strategy, best of mini-N in-loop, which partitions the generation budget into sequential loops with a calibrated, early-exit condition. Our experiments show that when tuned as an alignment guardrail, it reduces reliability failures by 70\%, and when tuned as an inference accelerator, it improves average inference speed by over 22\% in IMDB-sentiment setting. We thus provide a principled and flexible framework for practitioners to explicitly manage the trade-off between reliability and computational efficiency.

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.

Scaling the amount of compute used to train language models has dramatically improved their capabilities. However, when it comes to inference, we often limit the amount of compute to only one attempt per problem. Here, we explore inference compute as another axis for scaling by increasing the number of generated samples. Across multiple tasks and models, we observe that coverage - the fraction of problems solved by any attempt - scales with the number of samples over four orders of magnitude. In domains like coding and formal proofs, where all answers can be automatically verified, these increases in coverage directly translate into improved performance. When we apply repeated sampling to SWE-bench Lite, the fraction of issues solved with DeepSeek-V2-Coder-Instruct increases from 15.9% with one sample to 56% with 250 samples, outperforming the single-attempt state-of-the-art of 43% which uses more capable frontier models. Moreover, using current API pricing, amplifying the cheaper DeepSeek model with five samples is more cost-effective and solves more issues than paying a premium for one sample from GPT-4o or Claude 3.5 Sonnet. Interestingly, the relationship between coverage and the number of samples is often log-linear and can be modelled with an exponentiated power law, suggesting the existence of inference-time scaling laws. Finally, we find that identifying correct samples out of many generations remains an important direction for future research in domains without automatic verifiers. When solving math word problems from GSM8K and MATH, coverage with Llama-3 models grows to over 95% with 10,000 samples. However, common methods to pick correct solutions from a sample collection, such as majority voting or reward models, plateau beyond several hundred samples and fail to fully scale with the sample budget.

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.

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.

Diffusion models excel at capturing the natural design spaces of images, molecules, DNA, RNA, and protein sequences. However, rather than merely generating designs that are natural, we often aim to optimize downstream reward functions while preserving the naturalness of these design spaces. Existing methods for achieving this goal often require ``differentiable'' proxy models (e.g., classifier guidance or DPS) or involve computationally expensive fine-tuning of diffusion models (e.g., classifier-free guidance, RL-based fine-tuning). In our work, we propose a new method to address these challenges. Our algorithm is an iterative sampling method that integrates soft value functions, which looks ahead to how intermediate noisy states lead to high rewards in the future, into the standard inference procedure of pre-trained diffusion models. Notably, our approach avoids fine-tuning generative models and eliminates the need to construct differentiable models. This enables us to (1) directly utilize non-differentiable features/reward feedback, commonly used in many scientific domains, and (2) apply our method to recent discrete diffusion models in a principled way. Finally, we demonstrate the effectiveness of our algorithm across several domains, including image generation, molecule generation, and DNA/RNA sequence generation. The code is available at https://github.com/masa-ue/SVDD{https://github.com/masa-ue/SVDD}.

We consider in this paper the problem of optimal experiment design where a decision maker can choose which points to sample to obtain an estimate hatβ of the hidden parameter β^{star} of an underlying linear model. The key challenge of this work lies in the heteroscedasticity assumption that we make, meaning that each covariate has a different and unknown variance. The goal of the decision maker is then to figure out on the fly the optimal way to allocate the total budget of T samples between covariates, as sampling several times a specific one will reduce the variance of the estimated model around it (but at the cost of a possible higher variance elsewhere). By trying to minimize the ell^2-loss E [lVerthatβ-β^{star}rVert^2] the decision maker is actually minimizing the trace of the covariance matrix of the problem, which corresponds then to online A-optimal design. Combining techniques from bandit and convex optimization we propose a new active sampling algorithm and we compare it with existing ones. We provide theoretical guarantees of this algorithm in different settings, including a O(T^{-2}) regret bound in the case where the covariates form a basis of the feature space, generalizing and improving existing results. Numerical experiments validate our theoretical findings.

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

The training and deployment of large language models (LLMs) create a feedback loop with human users: models learn human beliefs from data, reinforce these beliefs with generated content, reabsorb the reinforced beliefs, and feed them back to users again and again. This dynamic resembles an echo chamber. We hypothesize that this feedback loop entrenches the existing values and beliefs of users, leading to a loss of diversity and potentially the lock-in of false beliefs. We formalize this hypothesis and test it empirically with agent-based LLM simulations and real-world GPT usage data. Analysis reveals sudden but sustained drops in diversity after the release of new GPT iterations, consistent with the hypothesized human-AI feedback loop. Code and data available at https://thelockinhypothesis.com

Today's probabilistic language generators fall short when it comes to producing coherent and fluent text despite the fact that the underlying models perform well under standard metrics, e.g., perplexity. This discrepancy has puzzled the language generation community for the last few years. In this work, we posit that the abstraction of natural language generation as a discrete stochastic process--which allows for an information-theoretic analysis--can provide new insights into the behavior of probabilistic language generators, e.g., why high-probability texts can be dull or repetitive. Humans use language as a means of communicating information, aiming to do so in a simultaneously efficient and error-minimizing manner; in fact, psycholinguistics research suggests humans choose each word in a string with this subconscious goal in mind. We formally define the set of strings that meet this criterion: those for which each word has an information content close to the expected information content, i.e., the conditional entropy of our model. We then propose a simple and efficient procedure for enforcing this criterion when generating from probabilistic models, which we call locally typical sampling. Automatic and human evaluations show that, in comparison to nucleus and top-k sampling, locally typical sampling offers competitive performance (in both abstractive summarization and story generation) in terms of quality while consistently reducing degenerate repetitions.

We introduce a novel score-based diffusion framework named Twigs that incorporates multiple co-evolving flows for enriching conditional generation tasks. Specifically, a central or trunk diffusion process is associated with a primary variable (e.g., graph structure), and additional offshoot or stem processes are dedicated to dependent variables (e.g., graph properties or labels). A new strategy, which we call loop guidance, effectively orchestrates the flow of information between the trunk and the stem processes during sampling. This approach allows us to uncover intricate interactions and dependencies, and unlock new generative capabilities. We provide extensive experiments to demonstrate strong performance gains of the proposed method over contemporary baselines in the context of conditional graph generation, underscoring the potential of Twigs in challenging generative tasks such as inverse molecular design and molecular optimization.

Mixture-of-Experts (MoE) and looped architectures scale models along two orthogonal axes, namely parameter capacity and effective depth. However, mainstream looped architectures rely on dense backbones that couple parameter count with per-token FLOPs, which makes it impossible to isolate the effect of iterative computation under matched budgets. To this end, we present LoopMoE, a looped MoE language model that integrates sparse routing with iterative weight-shared computation through two designs. The first is IterAdaLN, which resolves weight-sharing symmetry via a modulation signal jointly conditioned on the iteration index and the per-token hidden state. The second is a capacity-balancing strategy that recovers the attention-to-FFN active parameter ratio of well-tuned non-looped references. Together, these designs enable the first strictly controlled, head-to-head evaluation of a looped MoE against a Vanilla MoE under identical total parameters, per-token FLOPs, and active sublayer ratios. At the 3B scale, LoopMoE outperforms the Vanilla MoE on 8 of 9 downstream benchmarks with an average improvement exceeding 1 point. At the 9B scale, LoopMoE continues to outperform the matched Vanilla MoE, indicating that the architectural gain persists at larger scale. Our work establishes a controlled synthesis of sparsity and recurrence, and suggests a promising direction for looped language models.

We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.

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 consider the stochastic linear contextual bandit problem with high-dimensional features. We analyze the Thompson sampling algorithm using special classes of sparsity-inducing priors (e.g., spike-and-slab) to model the unknown parameter and provide a nearly optimal upper bound on the expected cumulative regret. To the best of our knowledge, this is the first work that provides theoretical guarantees of Thompson sampling in high-dimensional and sparse contextual bandits. For faster computation, we use variational inference instead of Markov Chain Monte Carlo (MCMC) to approximate the posterior distribution. Extensive simulations demonstrate the improved performance of our proposed algorithm over existing ones.

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

A common belief in model-free reinforcement learning is that methods based on random search in the parameter space of policies exhibit significantly worse sample complexity than those that explore the space of actions. We dispel such beliefs by introducing a random search method for training static, linear policies for continuous control problems, matching state-of-the-art sample efficiency on the benchmark MuJoCo locomotion tasks. Our method also finds a nearly optimal controller for a challenging instance of the Linear Quadratic Regulator, a classical problem in control theory, when the dynamics are not known. Computationally, our random search algorithm is at least 15 times more efficient than the fastest competing model-free methods on these benchmarks. We take advantage of this computational efficiency to evaluate the performance of our method over hundreds of random seeds and many different hyperparameter configurations for each benchmark task. Our simulations highlight a high variability in performance in these benchmark tasks, suggesting that commonly used estimations of sample efficiency do not adequately evaluate the performance of RL algorithms.

Data plays a fundamental role in the training of Large Language Models (LLMs). While attention has been paid to the collection and composition of datasets, determining the data sampling strategy in training remains an open question. Most LLMs are trained with a simple strategy, random sampling. However, this sampling strategy ignores the unbalanced nature of training data distribution, which can be sub-optimal. In this paper, we propose ClusterClip Sampling to balance the text distribution of training data for better model training. Specifically, ClusterClip Sampling utilizes data clustering to reflect the data distribution of the training set and balances the common samples and rare samples during training based on the cluster results. A repetition clip operation is introduced to mitigate the overfitting issue led by samples from certain clusters. Extensive experiments validate the effectiveness of ClusterClip Sampling, which outperforms random sampling and other cluster-based sampling variants under various training datasets and large language models.

We introduce UnpredictaBench, an evaluation that tests the ability of large language models (LLMs) to capture true underlying distributions. As LLMs are increasingly used as substitutes for other entities (e.g., for humans in economic simulations), the tendency of many models to collapse towards a single plausible answer means a failure to capture the unpredictability of real systems. Recent work on improving output diversity is insufficient for this setting: simulation requires samples that are calibrated to a target distribution, not merely varied outputs. UnpredictaBench isolates a simplified but fundamental version of this problem: sampling outcomes from individual target distributions, including canonical statistical distributions, distributions induced by stochastic programs, and natural-language scenarios that describe random processes. We introduce 448 such problems together with KS@N, a general-purpose evaluation metric that quantifies how well a model outputs approximate black-box target distributions via the Kolmogorov-Smirnov statistical test. This is the rate at which we fail to reject model samples of size N against ground-truth samples, with larger N indicating greater difficulty. Tested across open and proprietary models, we find a large spread in distributional capabilities. For instance, when models generate samples of size 100 (KS@100, our standard metric), scores range from near 0 to over 20%. No model is able to achieve over 40% at KS@100, showing significant headroom in distributional sampling as a capability. Although adding reasoning can somewhat increase scores, we find no immediate solution for this issue. UnpredictaBench shows that even simple distributional simulation remains challenging, making it a necessary first step toward using LLMs as stand-ins for complex systems.

The increasing adoption of econometric and machine-learning approaches by empirical researchers has led to a widespread use of one data collection method: web scraping. Web scraping refers to the use of automated computer programs to access websites and download their content. The key argument of this paper is that na\"ive web scraping procedures can lead to sampling bias in the collected data. This article describes three sources of sampling bias in web-scraped data. More specifically, sampling bias emerges from web content being volatile (i.e., being subject to change), personalized (i.e., presented in response to request characteristics), and unindexed (i.e., abundance of a population register). In a series of examples, I illustrate the prevalence and magnitude of sampling bias. To support researchers and reviewers, this paper provides recommendations on anticipating, detecting, and overcoming sampling bias in web-scraped data.