Daily Papers

As large language models (LLMs) are increasingly deployed in alignment-sensitive contexts, activation steering has emerged as a lightweight, inference-time alternative to fine-tuning methods (e.g., RLHF, DPO) for behavioral control. However, existing work typically validates steering on isolated behaviors, leaving it unclear whether steering vectors encode coherent semantic structure or merely exploit behavior-specific shortcuts. We investigate whether the latent geometry of LLM steering vectors reflects theory-specified structure in human values and morality. Using Schwartz's Theory of Basic Human Values as our primary fine-grained framework, we introduce a 26K-sample benchmark covering 20 human values and analyze distribution-driven methods (e.g., CAA, SphericalSteer, ODESteer) and behavior-centric approaches (e.g., COLD-Steer, BiPO) across diverse model families and sizes. We find that distribution-driven methods recover human value topologies aligned with theoretical predictions (Spearman ρ up to 0.51, p < 10^{-13}). In contrast, behavior-centric methods achieve comparable steering performance but show little correlation with the expected value geometry. Geometric fidelity improves with model scale but drops after instruction tuning. Finally, better geometric alignment also leads to more human-consistent transfer across values: steering one value correctly lifts compatible values and suppresses opposing ones. Code and data are available at: https://github.com/DeepRCL/Steering_Geometry.

As black-box models increasingly power high-stakes applications, a variety of data-driven explanation methods have been introduced. Meanwhile, machine learning models are constantly challenged by distributional shifts. A question naturally arises: Are data-driven explanations robust against out-of-distribution data? Our empirical results show that even though predict correctly, the model might still yield unreliable explanations under distributional shifts. How to develop robust explanations against out-of-distribution data? To address this problem, we propose an end-to-end model-agnostic learning framework Distributionally Robust Explanations (DRE). The key idea is, inspired by self-supervised learning, to fully utilizes the inter-distribution information to provide supervisory signals for the learning of explanations without human annotation. Can robust explanations benefit the model's generalization capability? We conduct extensive experiments on a wide range of tasks and data types, including classification and regression on image and scientific tabular data. Our results demonstrate that the proposed method significantly improves the model's performance in terms of explanation and prediction robustness against distributional shifts.

Out-of-distribution (OOD) detection holds significant importance across many applications. While semantic and domain-shift OOD problems are well-studied, this work focuses on covariate shifts - subtle variations in the data distribution that can degrade machine learning performance. We hypothesize that detecting these subtle shifts can improve our understanding of in-distribution boundaries, ultimately improving OOD detection. In adversarial discriminators trained with Batch Normalization (BN), real and adversarial samples form distinct domains with unique batch statistics - a property we exploit for OOD detection. We introduce DisCoPatch, an unsupervised Adversarial Variational Autoencoder (VAE) framework that harnesses this mechanism. During inference, batches consist of patches from the same image, ensuring a consistent data distribution that allows the model to rely on batch statistics. DisCoPatch uses the VAE's suboptimal outputs (generated and reconstructed) as negative samples to train the discriminator, thereby improving its ability to delineate the boundary between in-distribution samples and covariate shifts. By tightening this boundary, DisCoPatch achieves state-of-the-art results in public OOD detection benchmarks. The proposed model not only excels in detecting covariate shifts, achieving 95.5% AUROC on ImageNet-1K(-C) but also outperforms all prior methods on public Near-OOD (95.0%) benchmarks. With a compact model size of 25MB, it achieves high OOD detection performance at notably lower latency than existing methods, making it an efficient and practical solution for real-world OOD detection applications. The code is publicly available.

Driven by advancements in sensing and computing, deep reinforcement learning (DRL)-based methods have demonstrated significant potential in effectively tackling distribution system restoration (DSR) challenges under uncertain operational scenarios. However, the data-intensive nature of DRL poses obstacles in achieving satisfactory DSR solutions for large-scale, complex distribution systems. Inspired by the transformative impact of emerging foundation models, including large language models (LLMs), across various domains, this paper explores an innovative approach harnessing LLMs' powerful computing capabilities to address scalability challenges inherent in conventional DRL methods for solving DSR. To our knowledge, this study represents the first exploration of foundation models, including LLMs, in revolutionizing conventional DRL applications in power system operations. Our contributions are twofold: 1) introducing a novel LLM-powered Physics-Informed Decision Transformer (PIDT) framework that leverages LLMs to transform conventional DRL methods for DSR operations, and 2) conducting comparative studies to assess the performance of the proposed LLM-powered PIDT framework at its initial development stage for solving DSR problems. While our primary focus in this paper is on DSR operations, the proposed PIDT framework can be generalized to optimize sequential decision-making across various power system operations.

Text-driven human motion generation is a multimodal task that synthesizes human motion sequences conditioned on natural language. It requires the model to satisfy textual descriptions under varying conditional inputs, while generating plausible and realistic human actions with high diversity. Existing diffusion model-based approaches have outstanding performance in the diversity and multimodality of generation. However, compared to autoregressive methods that train motion encoders before inference, diffusion methods lack in fitting the distribution of human motion features which leads to an unsatisfactory FID score. One insight is that the diffusion model lack the ability to learn the motion relations among spatio-temporal semantics through contextual reasoning. To solve this issue, in this paper, we proposed Motion Masked Diffusion Model (MMDM), a novel human motion masked mechanism for diffusion model to explicitly enhance its ability to learn the spatio-temporal relationships from contextual joints among motion sequences. Besides, considering the complexity of human motion data with dynamic temporal characteristics and spatial structure, we designed two mask modeling strategies: time frames mask and body parts mask. During training, MMDM masks certain tokens in the motion embedding space. Then, the diffusion decoder is designed to learn the whole motion sequence from masked embedding in each sampling step, this allows the model to recover a complete sequence from incomplete representations. Experiments on HumanML3D and KIT-ML dataset demonstrate that our mask strategy is effective by balancing motion quality and text-motion consistency.

Despite strong generalization capabilities, Vision-Language-Action (VLA) models remain constrained by the high cost of expert demonstrations and insufficient real-world interaction. While online reinforcement learning (RL) has shown promise in improving general foundation models, applying RL to VLA manipulation in real-world settings is still hindered by low exploration efficiency and a restricted exploration space. Through systematic real-world experiments, we observe that the effective exploration space of online RL is closely tied to the data distribution of supervised fine-tuning (SFT). Motivated by this observation, we propose TwinRL, a digital twin-real-world collaborative RL framework designed to scale and guide exploration for VLA models. First, a high-fidelity digital twin is efficiently reconstructed from smartphone-captured scenes, enabling realistic bidirectional transfer between real and simulated environments. During the SFT warm-up stage, we introduce an exploration space expansion strategy using digital twins to broaden the support of the data trajectory distribution. Building on this enhanced initialization, we propose a sim-to-real guided exploration strategy to further accelerate online RL. Specifically, TwinRL performs efficient and parallel online RL in the digital twin prior to deployment, effectively bridging the gap between offline and online training stages. Subsequently, we exploit efficient digital twin sampling to identify failure-prone yet informative configurations, which are used to guide targeted human-in-the-loop rollouts on the real robot. In our experiments, TwinRL approaches 100% success in both in-distribution regions covered by real-world demonstrations and out-of-distribution regions, delivering at least a 30% speedup over prior real-world RL methods and requiring only about 20 minutes on average across four tasks.

Deep neural networks have enabled improved image quality and fast inference times for various inverse problems, including accelerated magnetic resonance imaging (MRI) reconstruction. However, such models require a large number of fully-sampled ground truth datasets, which are difficult to curate, and are sensitive to distribution drifts. In this work, we propose applying physics-driven data augmentations for consistency training that leverage our domain knowledge of the forward MRI data acquisition process and MRI physics to achieve improved label efficiency and robustness to clinically-relevant distribution drifts. Our approach, termed VORTEX, (1) demonstrates strong improvements over supervised baselines with and without data augmentation in robustness to signal-to-noise ratio change and motion corruption in data-limited regimes; (2) considerably outperforms state-of-the-art purely image-based data augmentation techniques and self-supervised reconstruction methods on both in-distribution and out-of-distribution data; and (3) enables composing heterogeneous image-based and physics-driven data augmentations. Our code is available at https://github.com/ad12/meddlr.

LongRoPE2 is a novel approach that extends the effective context window of pre-trained large language models (LLMs) to the target length, while preserving the performance on the original shorter context window. This is achieved by three contributions: (1) a hypothesis that insufficient training in higher RoPE dimensions contributes to the persistent out-of-distribution (OOD) issues observed in existing methods; (2) an effective RoPE rescaling algorithm that adopts evolutionary search guided by "needle-driven" perplexity to address the insufficient training problem; (3) a mixed context window training approach that fine-tunes model weights to adopt rescaled RoPE for long-context sequences while preserving the short-context performance with the original RoPE. Extensive experiments on LLaMA3-8B and Phi3-mini-3.8B across various benchmarks validate the hypothesis and demonstrate the effectiveness of LongRoPE2. Remarkably, LongRoPE2 extends LLaMA3-8B to achieve a 128K effective context length while retaining over 98.5% of short-context performance, using only 10B tokens -- 80x fewer than Meta's approach, which fails to reach the target effective context length. Code will be available at https://github.com/microsoft/LongRoPE.

Recent text-to-image models have achieved impressive results. However, since they require large-scale datasets of text-image pairs, it is impractical to train them on new domains where data is scarce or not labeled. In this work, we propose using large-scale retrieval methods, in particular, efficient k-Nearest-Neighbors (kNN), which offers novel capabilities: (1) training a substantially small and efficient text-to-image diffusion model without any text, (2) generating out-of-distribution images by simply swapping the retrieval database at inference time, and (3) performing text-driven local semantic manipulations while preserving object identity. To demonstrate the robustness of our method, we apply our kNN approach on two state-of-the-art diffusion backbones, and show results on several different datasets. As evaluated by human studies and automatic metrics, our method achieves state-of-the-art results compared to existing approaches that train text-to-image generation models using images only (without paired text data)

State density distribution, in contrast to worst-case reachability, can be leveraged for safety-related problems to better quantify the likelihood of the risk for potentially hazardous situations. In this work, we propose a data-driven method to compute the density distribution of reachable states for nonlinear and even black-box systems. Our semi-supervised approach learns system dynamics and the state density jointly from trajectory data, guided by the fact that the state density evolution follows the Liouville partial differential equation. With the help of neural network reachability tools, our approach can estimate the set of all possible future states as well as their density. Moreover, we could perform online safety verification with probability ranges for unsafe behaviors to occur. We use an extensive set of experiments to show that our learned solution can produce a much more accurate estimate on density distribution, and can quantify risks less conservatively and flexibly comparing with worst-case analysis.

Robustly evaluating the long-form storytelling capabilities of Large Language Models (LLMs) remains a significant challenge, as existing benchmarks often lack the necessary scale, diversity, or objective measures. To address this, we introduce WebNovelBench, a novel benchmark specifically designed for evaluating long-form novel generation. WebNovelBench leverages a large-scale dataset of over 4,000 Chinese web novels, framing evaluation as a synopsis-to-story generation task. We propose a multi-faceted framework encompassing eight narrative quality dimensions, assessed automatically via an LLM-as-Judge approach. Scores are aggregated using Principal Component Analysis and mapped to a percentile rank against human-authored works. Our experiments demonstrate that WebNovelBench effectively differentiates between human-written masterpieces, popular web novels, and LLM-generated content. We provide a comprehensive analysis of 24 state-of-the-art LLMs, ranking their storytelling abilities and offering insights for future development. This benchmark provides a scalable, replicable, and data-driven methodology for assessing and advancing LLM-driven narrative generation.

Fine-tuning pre-trained generative models with Reinforcement Learning (RL) has emerged as an effective approach for aligning outputs more closely with nuanced human preferences. In this paper, we investigate the application of Group Relative Policy Optimization (GRPO) to fine-tune next-scale visual autoregressive (VAR) models. Our empirical results demonstrate that this approach enables alignment to intricate reward signals derived from aesthetic predictors and CLIP embeddings, significantly enhancing image quality and enabling precise control over the generation style. Interestingly, by leveraging CLIP, our method can help VAR models generalize beyond their initial ImageNet distribution: through RL-driven exploration, these models can generate images aligned with prompts referencing image styles that were absent during pre-training. In summary, we show that RL-based fine-tuning is both efficient and effective for VAR models, benefiting particularly from their fast inference speeds, which are advantageous for online sampling, an aspect that poses significant challenges for diffusion-based alternatives.

Comprehending natural language instructions is a charming property for both 2D and 3D layout synthesis systems. Existing methods implicitly model object joint distributions and express object relations, hindering generation's controllability. We introduce InstructLayout, a novel generative framework that integrates a semantic graph prior and a layout decoder to improve controllability and fidelity for 2D and 3D layout synthesis. The proposed semantic graph prior learns layout appearances and object distributions simultaneously, demonstrating versatility across various downstream tasks in a zero-shot manner. To facilitate the benchmarking for text-driven 2D and 3D scene synthesis, we respectively curate two high-quality datasets of layout-instruction pairs from public Internet resources with large language and multimodal models. Extensive experimental results reveal that the proposed method outperforms existing state-of-the-art approaches by a large margin in both 2D and 3D layout synthesis tasks. Thorough ablation studies confirm the efficacy of crucial design components.

Comprehending natural language instructions is a charming property for 3D indoor scene synthesis systems. Existing methods directly model object joint distributions and express object relations implicitly within a scene, thereby hindering the controllability of generation. We introduce InstructScene, a novel generative framework that integrates a semantic graph prior and a layout decoder to improve controllability and fidelity for 3D scene synthesis. The proposed semantic graph prior jointly learns scene appearances and layout distributions, exhibiting versatility across various downstream tasks in a zero-shot manner. To facilitate the benchmarking for text-driven 3D scene synthesis, we curate a high-quality dataset of scene-instruction pairs with large language and multimodal models. Extensive experimental results reveal that the proposed method surpasses existing state-of-the-art approaches by a large margin. Thorough ablation studies confirm the efficacy of crucial design components. Project page: https://chenguolin.github.io/projects/InstructScene.

We introduce Filter Like You Test (FLYT), a method for curating large-scale vision-language datasets that learns the usefulness of each data point as a pretraining example. FLYT trains a scoring model that learns to weigh each example using gradient signals from downstream tasks training sets. Using the same training methodology, we develop Mixing-FLYT (M-FLYT), which takes the per-example scores generated by different scoring methods and learns to unify them into a single score. Our training methodology naturally produces a distribution over the training examples, which we leverage through Soft Cap Sampling (SCS), a strategy for obtaining a filtered pretraining dataset from per-example probabilities that samples examples while preventing over-representation through a repetition penalty. Using all three methods, we achieve 40.1% ImageNet zero-shot accuracy on the DataComp medium scale filtering benchmark, a 1.9% absolute accuracy increase over all previous results and a 5.5% increase over results that -- like us -- use only public resources.

Test-time adaptation (TTA) addresses the unforeseen distribution shifts occurring during test time. In TTA, performance, memory consumption, and time consumption are crucial considerations. A recent diffusion-based TTA approach for restoring corrupted images involves image-level updates. However, using pixel space diffusion significantly increases resource requirements compared to conventional model updating TTA approaches, revealing limitations as a TTA method. To address this, we propose a novel TTA method that leverages an image editing model based on a latent diffusion model (LDM) and fine-tunes it using our newly introduced corruption modeling scheme. This scheme enhances the robustness of the diffusion model against distribution shifts by creating (clean, corrupted) image pairs and fine-tuning the model to edit corrupted images into clean ones. Moreover, we introduce a distilled variant to accelerate the model for corruption editing using only 4 network function evaluations (NFEs). We extensively validated our method across various architectures and datasets including image and video domains. Our model achieves the best performance with a 100 times faster runtime than that of a diffusion-based baseline. Furthermore, it is three times faster than the previous model updating TTA method that utilizes data augmentation, making an image-level updating approach more feasible.

Safety alignment incurs safety tax that perturbs a large reasoning model's (LRM) general reasoning ability. Existing datasets used for safety alignment for an LRM are usually constructed by distilling safety reasoning traces and answers from an external LRM or human labeler. However, such reasoning traces and answers exhibit a distributional gap with the target LRM that needs alignment, and we conjecture such distributional gap is the culprit leading to significant degradation of reasoning ability of the target LRM. Driven by this hypothesis, we propose a safety alignment dataset construction method, dubbed DGR. DGR transforms and refines an existing out-of-distributional safety reasoning dataset to be aligned with the target's LLM inner distribution. Experimental results demonstrate that i) DGR effectively mitigates the safety tax while maintaining safety performance across all baselines, i.e., achieving +30.2\% on DirectRefusal and +21.2\% on R1-ACT improvement in average reasoning accuracy compared to Vanilla SFT; ii) the degree of reasoning degradation correlates with the extent of distribution shift, suggesting that bridging this gap is central to preserving capabilities. Furthermore, we find that safety alignment in LRMs may primarily function as a mechanism to activate latent knowledge, as a mere 10 samples are sufficient for activating effective refusal behaviors. These findings not only emphasize the importance of distributional consistency but also provide insights into the activation mechanism of safety in reasoning models.

This study provides a methodological framework for the computer to classify tweets according to variables of the Theory of Planned Behavior. We present a sequential process of automated text analysis which combined supervised approach and unsupervised approach in order to make the computer to detect one of TPB variables in each tweet. We conducted Latent Dirichlet Allocation (LDA), Nearest Neighbor, and then assessed "typicality" of newly labeled tweets in order to predict classification boundary. Furthermore, this study reports findings from a content analysis of suicide-related tweets which identify traits of information environment in Twitter. Consistent with extant literature about suicide coverage, the findings demonstrate that tweets often contain information which prompt perceived behavior control of committing suicide, while rarely provided deterring information on suicide. We conclude by highlighting implications for methodological advances and empirical theory studies.

We present a novel variational framework for performing inference in (neural) stochastic differential equations (SDEs) driven by Markov-approximate fractional Brownian motion (fBM). SDEs offer a versatile tool for modeling real-world continuous-time dynamic systems with inherent noise and randomness. Combining SDEs with the powerful inference capabilities of variational methods, enables the learning of representative function distributions through stochastic gradient descent. However, conventional SDEs typically assume the underlying noise to follow a Brownian motion (BM), which hinders their ability to capture long-term dependencies. In contrast, fractional Brownian motion (fBM) extends BM to encompass non-Markovian dynamics, but existing methods for inferring fBM parameters are either computationally demanding or statistically inefficient. In this paper, building upon the Markov approximation of fBM, we derive the evidence lower bound essential for efficient variational inference of posterior path measures, drawing from the well-established field of stochastic analysis. Additionally, we provide a closed-form expression to determine optimal approximation coefficients. Furthermore, we propose the use of neural networks to learn the drift, diffusion and control terms within our variational posterior, leading to the variational training of neural-SDEs. In this framework, we also optimize the Hurst index, governing the nature of our fractional noise. Beyond validation on synthetic data, we contribute a novel architecture for variational latent video prediction,-an approach that, to the best of our knowledge, enables the first variational neural-SDE application to video perception.

While recent research has made significant progress in speech-driven talking face generation, the quality of the generated video still lags behind that of real recordings. One reason for this is the use of handcrafted intermediate representations like facial landmarks and 3DMM coefficients, which are designed based on human knowledge and are insufficient to precisely describe facial movements. Additionally, these methods require an external pretrained model for extracting these representations, whose performance sets an upper bound on talking face generation. To address these limitations, we propose a novel method called DAE-Talker that leverages data-driven latent representations obtained from a diffusion autoencoder (DAE). DAE contains an image encoder that encodes an image into a latent vector and a DDIM image decoder that reconstructs the image from it. We train our DAE on talking face video frames and then extract their latent representations as the training target for a Conformer-based speech2latent model. This allows DAE-Talker to synthesize full video frames and produce natural head movements that align with the content of speech, rather than relying on a predetermined head pose from a template video. We also introduce pose modelling in speech2latent for pose controllability. Additionally, we propose a novel method for generating continuous video frames with the DDIM image decoder trained on individual frames, eliminating the need for modelling the joint distribution of consecutive frames directly. Our experiments show that DAE-Talker outperforms existing popular methods in lip-sync, video fidelity, and pose naturalness. We also conduct ablation studies to analyze the effectiveness of the proposed techniques and demonstrate the pose controllability of DAE-Talker.

Since 2023, Vector Quantization (VQ)-based discrete generation methods have rapidly dominated human motion generation, primarily surpassing diffusion-based continuous generation methods in standard performance metrics. However, VQ-based methods have inherent limitations. Representing continuous motion data as limited discrete tokens leads to inevitable information loss, reduces the diversity of generated motions, and restricts their ability to function effectively as motion priors or generation guidance. In contrast, the continuous space generation nature of diffusion-based methods makes them well-suited to address these limitations and with even potential for model scalability. In this work, we systematically investigate why current VQ-based methods perform well and explore the limitations of existing diffusion-based methods from the perspective of motion data representation and distribution. Drawing on these insights, we preserve the inherent strengths of a diffusion-based human motion generation model and gradually optimize it with inspiration from VQ-based approaches. Our approach introduces a human motion diffusion model enabled to perform bidirectional masked autoregression, optimized with a reformed data representation and distribution. Additionally, we also propose more robust evaluation methods to fairly assess different-based methods. Extensive experiments on benchmark human motion generation datasets demonstrate that our method excels previous methods and achieves state-of-the-art performances.

Scaling executable agent training data for LLM post-training is bottlenecked by substrate-bound methods that tie task generation to predefined tools, repositories, or skill graphs: expanding coverage requires manual substrate engineering, each new domain demands a bespoke pipeline, and the resulting task distributions often reflect substrate biases rather than real-world demand. We introduce NexForge, a requirement-driven framework that takes high-level capability requirements as input and synthesizes diverse, executable agent tasks and expert trajectories for SFT. NexForge first investigates real-world demand to construct scenarios and task profiles, then performs distribution-aware compilation to generate task directives. For each directive, NexForge automatically retrieves or constructs the required files, dependencies, and runtime configurations, and finally collects expert rollouts to produce training trajectories. Without domain-specific infrastructure, NexForge produces 3.6K terminal and 2K office tasks, improving Qwen3.5-35B-A3B Base from 22.5\% to 52.0\% on Terminal-Bench 2.0 and from 813 to 1338 Elo on GDPval; scaling further to 43.2K terminal tasks yields 58.4\%, on par with Claude Opus 4.6 equipped with Claude Code. Scaled further, NexForge-synthesized data contributes to the training of Nex-N2, a family of publicly available agent models that lift Qwen3.5-397B-A17B to 75.3\% on Terminal-Bench 2.1 and to 1585 Elo on GDPval---achieving state-of-the-art open-source performance and surpassing several frontier proprietary systems. Nex-N2 models are available at https://nex.sii.edu.cn/.

Density of the reachable states can help understand the risk of safety-critical systems, especially in situations when worst-case reachability is too conservative. Recent work provides a data-driven approach to compute the density distribution of autonomous systems' forward reachable states online. In this paper, we study the use of such approach in combination with model predictive control for verifiable safe path planning under uncertainties. We first use the learned density distribution to compute the risk of collision online. If such risk exceeds the acceptable threshold, our method will plan for a new path around the previous trajectory, with the risk of collision below the threshold. Our method is well-suited to handle systems with uncertainties and complicated dynamics as our data-driven approach does not need an analytical form of the systems' dynamics and can estimate forward state density with an arbitrary initial distribution of uncertainties. We design two challenging scenarios (autonomous driving and hovercraft control) for safe motion planning in environments with obstacles under system uncertainties. We first show that our density estimation approach can reach a similar accuracy as the Monte-Carlo-based method while using only 0.01X training samples. By leveraging the estimated risk, our algorithm achieves the highest success rate in goal reaching when enforcing the safety rate above 0.99.

As large language models (LLMs) become the engine behind conversational systems, their ability to reason about the intentions and states of their dialogue partners (i.e., form and use a theory-of-mind, or ToM) becomes increasingly critical for safe interaction with potentially adversarial partners. We propose a novel privacy-themed ToM challenge, ToM for Steering Beliefs (ToM-SB), in which a defender must act as a Double Agent to steer the beliefs of an attacker with partial prior knowledge within a shared universe. To succeed on ToM-SB, the defender must engage with and form a ToM of the attacker, with a goal of fooling the attacker into believing they have succeeded in extracting sensitive information. We find that strong frontier models like Gemini3-Pro and GPT-5.4 struggle on ToM-SB, often failing to fool attackers in hard scenarios with partial attacker prior knowledge, even when prompted to reason about the attacker's beliefs (ToM prompting). To close this gap, we train models on ToM-SB to act as AI Double Agents using reinforcement learning, testing both fooling and ToM rewards. Notably, we find a bidirectionally emergent relationship between ToM and attacker-fooling: rewarding fooling success alone improves ToM, and rewarding ToM alone improves fooling. Across four attackers with different strengths, six defender methods, and both in-distribution and out-of-distribution (OOD) evaluation, we find that gains in ToM and attacker-fooling are well-correlated, highlighting belief modeling as a key driver of success on ToM-SB. AI Double Agents that combine both ToM and fooling rewards yield the strongest fooling and ToM performance, outperforming Gemini3-Pro and GPT-5.4 with ToM prompting on hard scenarios. We also show that ToM-SB and AI Double Agents can be extended to stronger attackers, demonstrating generalization to OOD settings and the upgradability of our task.

The traditional deep learning paradigm that solely relies on labeled data has limitations in representing the spatial relationships between farmland elements and the surrounding environment.It struggles to effectively model the dynamic temporal evolution and spatial heterogeneity of farmland. Language,as a structured knowledge carrier,can explicitly express the spatiotemporal characteristics of farmland, such as its shape, distribution,and surrounding environmental information.Therefore,a language-driven learning paradigm can effectively alleviate the challenges posed by the spatiotemporal heterogeneity of farmland.However,in the field of remote sensing imagery of farmland,there is currently no comprehensive benchmark dataset to support this research direction.To fill this gap,we introduced language based descriptions of farmland and developed FarmSeg-VL dataset,the first fine-grained image-text dataset designed for spatiotemporal farmland segmentation.Firstly, this article proposed a semi-automatic annotation method that can accurately assign caption to each image, ensuring high data quality and semantic richness while improving the efficiency of dataset construction.Secondly,the FarmSeg-VL exhibits significant spatiotemporal characteristics.In terms of the temporal dimension,it covers all four seasons.In terms of the spatial dimension,it covers eight typical agricultural regions across China.In addition, in terms of captions,FarmSeg-VL covers rich spatiotemporal characteristics of farmland,including its inherent properties,phenological characteristics, spatial distribution,topographic and geomorphic features,and the distribution of surrounding environments.Finally,we present a performance analysis of VLMs and the deep learning models that rely solely on labels trained on the FarmSeg-VL,demonstrating its potential as a standard benchmark for farmland segmentation.

Applying diffusion models in reinforcement learning for long-term planning has gained much attention recently. Several diffusion-based methods have successfully leveraged the modeling capabilities of diffusion for arbitrary distributions. These methods generate subsequent trajectories for planning and have demonstrated significant improvement. However, these methods are limited by their plain base distributions and their overlooking of the diversity of samples, in which different states have different returns. They simply leverage diffusion to learn the distribution of offline dataset, generate the trajectories whose states share the same distribution with the offline dataset. As a result, the probability of these models reaching the high-return states is largely dependent on the dataset distribution. Even equipped with the guidance model, the performance is still suppressed. To address these limitations, in this paper, we propose a novel method called CDiffuser, which devises a return contrast mechanism to pull the states in generated trajectories towards high-return states while pushing them away from low-return states to improve the base distribution. Experiments on 14 commonly used D4RL benchmarks demonstrate the effectiveness of our proposed method.

Distribution shifts -- where the training distribution differs from the test distribution -- can substantially degrade the accuracy of machine learning (ML) systems deployed in the wild. Despite their ubiquity in the real-world deployments, these distribution shifts are under-represented in the datasets widely used in the ML community today. To address this gap, we present WILDS, a curated benchmark of 10 datasets reflecting a diverse range of distribution shifts that naturally arise in real-world applications, such as shifts across hospitals for tumor identification; across camera traps for wildlife monitoring; and across time and location in satellite imaging and poverty mapping. On each dataset, we show that standard training yields substantially lower out-of-distribution than in-distribution performance. This gap remains even with models trained by existing methods for tackling distribution shifts, underscoring the need for new methods for training models that are more robust to the types of distribution shifts that arise in practice. To facilitate method development, we provide an open-source package that automates dataset loading, contains default model architectures and hyperparameters, and standardizes evaluations. Code and leaderboards are available at https://wilds.stanford.edu.

Mixed Integer Linear Programming (MILP) is a fundamental tool for modeling combinatorial optimization problems. Recently, a growing body of research has used machine learning to accelerate MILP solving. Despite the increasing popularity of this approach, there is a lack of a common repository that provides distributions of similar MILP instances across different domains, at different hardness levels, with standardized test sets. In this paper, we introduce Distributional MIPLIB, a multi-domain library of problem distributions for advancing ML-guided MILP methods. We curate MILP distributions from existing work in this area as well as real-world problems that have not been used, and classify them into different hardness levels. It will facilitate research in this area by enabling comprehensive evaluation on diverse and realistic domains. We empirically illustrate the benefits of using Distributional MIPLIB as a research vehicle in two ways. We evaluate the performance of ML-guided variable branching on previously unused distributions to identify potential areas for improvement. Moreover, we propose to learn branching policies from a mix of distributions, demonstrating that mixed distributions achieve better performance compared to homogeneous distributions when there is limited data and generalize well to larger instances. The dataset is publicly available at https://sites.google.com/usc.edu/distributional-miplib/home.

A growing trend for value-based reinforcement learning (RL) algorithms is to capture more information than scalar value functions in the value network. One of the most well-known methods in this branch is distributional RL, which models return distribution instead of scalar value. In another line of work, hybrid reward architectures (HRA) in RL have studied to model source-specific value functions for each source of reward, which is also shown to be beneficial in performance. To fully inherit the benefits of distributional RL and hybrid reward architectures, we introduce Multi-Dimensional Distributional DQN (MD3QN), which extends distributional RL to model the joint return distribution from multiple reward sources. As a by-product of joint distribution modeling, MD3QN can capture not only the randomness in returns for each source of reward, but also the rich reward correlation between the randomness of different sources. We prove the convergence for the joint distributional Bellman operator and build our empirical algorithm by minimizing the Maximum Mean Discrepancy between joint return distribution and its Bellman target. In experiments, our method accurately models the joint return distribution in environments with richly correlated reward functions, and outperforms previous RL methods utilizing multi-dimensional reward functions in the control setting.

We introduce distributional dynamic programming (DP) methods for optimizing statistical functionals of the return distribution, with standard reinforcement learning as a special case. Previous distributional DP methods could optimize the same class of expected utilities as classic DP. To go beyond expected utilities, we combine distributional DP with stock augmentation, a technique previously introduced for classic DP in the context of risk-sensitive RL, where the MDP state is augmented with a statistic of the rewards obtained so far (since the first time step). We find that a number of recently studied problems can be formulated as stock-augmented return distribution optimization, and we show that we can use distributional DP to solve them. We analyze distributional value and policy iteration, with bounds and a study of what objectives these distributional DP methods can or cannot optimize. We describe a number of applications outlining how to use distributional DP to solve different stock-augmented return distribution optimization problems, for example maximizing conditional value-at-risk, and homeostatic regulation. To highlight the practical potential of stock-augmented return distribution optimization and distributional DP, we combine the core ideas of distributional value iteration with the deep RL agent DQN, and empirically evaluate it for solving instances of the applications discussed.

In reinforcement learning an agent interacts with the environment by taking actions and observing the next state and reward. When sampled probabilistically, these state transitions, rewards, and actions can all induce randomness in the observed long-term return. Traditionally, reinforcement learning algorithms average over this randomness to estimate the value function. In this paper, we build on recent work advocating a distributional approach to reinforcement learning in which the distribution over returns is modeled explicitly instead of only estimating the mean. That is, we examine methods of learning the value distribution instead of the value function. We give results that close a number of gaps between the theoretical and algorithmic results given by Bellemare, Dabney, and Munos (2017). First, we extend existing results to the approximate distribution setting. Second, we present a novel distributional reinforcement learning algorithm consistent with our theoretical formulation. Finally, we evaluate this new algorithm on the Atari 2600 games, observing that it significantly outperforms many of the recent improvements on DQN, including the related distributional algorithm C51.

Feature attribution methods identify which features of an input most influence a model's output. Most widely-used feature attribution methods (such as SHAP, LIME, and Grad-CAM) are "class-dependent" methods in that they generate a feature attribution vector as a function of class. In this work, we demonstrate that class-dependent methods can "leak" information about the selected class, making that class appear more likely than it is. Thus, an end user runs the risk of drawing false conclusions when interpreting an explanation generated by a class-dependent method. In contrast, we introduce "distribution-aware" methods, which favor explanations that keep the label's distribution close to its distribution given all features of the input. We introduce SHAP-KL and FastSHAP-KL, two baseline distribution-aware methods that compute Shapley values. Finally, we perform a comprehensive evaluation of seven class-dependent and three distribution-aware methods on three clinical datasets of different high-dimensional data types: images, biosignals, and text.

Recent advances in reinforcement learning (RL)-based post-training have led to notable improvements in large language models (LLMs), particularly in enhancing their reasoning capabilities to handle complex tasks. However, most existing methods treat the training data as a unified whole, overlooking the fact that modern LLM training often involves a mixture of data from diverse distributions-varying in both source and difficulty. This heterogeneity introduces a key challenge: how to adaptively schedule training across distributions to optimize learning efficiency. In this paper, we present a principled curriculum learning framework grounded in the notion of distribution-level learnability. Our core insight is that the magnitude of policy advantages reflects how much a model can still benefit from further training on a given distribution. Based on this, we propose a distribution-level curriculum learning framework for RL-based LLM post-training, which leverages the Upper Confidence Bound (UCB) principle to dynamically adjust sampling probabilities for different distrubutions. This approach prioritizes distributions with either high average advantage (exploitation) or low sample count (exploration), yielding an adaptive and theoretically grounded training schedule. We instantiate our curriculum learning framework with GRPO as the underlying RL algorithm and demonstrate its effectiveness on logic reasoning datasets with multiple difficulties and sources. Our experiments show that our framework significantly improves convergence speed and final performance, highlighting the value of distribution-aware curriculum strategies in LLM post-training. Code: https://github.com/ZhentingWang/DUMP.

We present a new algorithm to optimize distributions defined implicitly by parameterized stochastic diffusions. Doing so allows us to modify the outcome distribution of sampling processes by optimizing over their parameters. We introduce a general framework for first-order optimization of these processes, that performs jointly, in a single loop, optimization and sampling steps. This approach is inspired by recent advances in bilevel optimization and automatic implicit differentiation, leveraging the point of view of sampling as optimization over the space of probability distributions. We provide theoretical guarantees on the performance of our method, as well as experimental results demonstrating its effectiveness in real-world settings.

We study the problem of predicting numeric labels that are constrained to the integers or to a subrange of the integers. For example, the number of up-votes on social media posts, or the number of bicycles available at a public rental station. While it is possible to model these as continuous values, and to apply traditional regression, this approach changes the underlying distribution on the labels from discrete to continuous. Discrete distributions have certain benefits, which leads us to the question whether such integer labels can be modeled directly by a discrete distribution, whose parameters are predicted from the features of a given instance. Moreover, we focus on the use case of output distributions of neural networks, which adds the requirement that the parameters of the distribution be continuous so that backpropagation and gradient descent may be used to learn the weights of the network. We investigate several options for such distributions, some existing and some novel, and test them on a range of tasks, including tabular learning, sequential prediction and image generation. We find that overall the best performance comes from two distributions: Bitwise, which represents the target integer in bits and places a Bernoulli distribution on each, and a discrete analogue of the Laplace distribution, which uses a distribution with exponentially decaying tails around a continuous mean.

Score Distillation Sampling (SDS) has emerged as a prevalent technique for text-to-3D generation, enabling 3D content creation by distilling view-dependent information from text-to-2D guidance. However, they frequently exhibit shortcomings such as over-saturated color and excess smoothness. In this paper, we conduct a thorough analysis of SDS and refine its formulation, finding that the core design is to model the distribution of rendered images. Following this insight, we introduce a novel strategy called Variational Distribution Mapping (VDM), which expedites the distribution modeling process by regarding the rendered images as instances of degradation from diffusion-based generation. This special design enables the efficient training of variational distribution by skipping the calculations of the Jacobians in the diffusion U-Net. We also introduce timestep-dependent Distribution Coefficient Annealing (DCA) to further improve distilling precision. Leveraging VDM and DCA, we use Gaussian Splatting as the 3D representation and build a text-to-3D generation framework. Extensive experiments and evaluations demonstrate the capability of VDM and DCA to generate high-fidelity and realistic assets with optimization efficiency.

We propose a Distributional Approach for addressing Controlled Text Generation from pre-trained Language Models (LMs). This approach permits to specify, in a single formal framework, both "pointwise" and "distributional" constraints over the target LM -- to our knowledge, the first model with such generality -- while minimizing KL divergence from the initial LM distribution. The optimal target distribution is then uniquely determined as an explicit EBM (Energy-Based Model) representation. From that optimal representation we then train a target controlled Autoregressive LM through an adaptive distributional variant of Policy Gradient. We conduct a first set of experiments over pointwise constraints showing the advantages of our approach over a set of baselines, in terms of obtaining a controlled LM balancing constraint satisfaction with divergence from the initial LM. We then perform experiments over distributional constraints, a unique feature of our approach, demonstrating its potential as a remedy to the problem of Bias in Language Models. Through an ablation study, we show the effectiveness of our adaptive technique for obtaining faster convergence. (Code available at https://github.com/naver/gdc)

Dataset distillation enables efficient training by distilling the information of large-scale datasets into significantly smaller synthetic datasets. Diffusion based paradigms have emerged in recent years, offering novel perspectives for dataset distillation. However, they typically necessitate additional fine-tuning stages, and effective guidance mechanisms remain underexplored. To address these limitations, we rethink diffusion based dataset distillation and propose a Dual Matching Guided Diffusion (DMGD) framework, centered on efficient training-free guidance. We first establish Semantic Matching via conditional likelihood optimization, eliminating the need for auxiliary classifiers. Furthermore, we propose a dynamic guidance mechanism that enhances the diversity of synthetic data while maintaining semantic alignment. Simultaneously, we introduce an optimal transport (OT) based Distribution Matching approach to further align with the target distribution structure. To ensure efficiency, we develop two enhanced strategies for diffusion based framework: Distribution Approximate Matching and Greedy Progressive Matching. These strategies enable effective distribution matching guidance with minimal computational overhead. Experimental results on ImageNet-Woof, ImageNet-Nette, and ImageNet-1K demonstrate that our training-free approach achieves significant improvements, outperforming state-of-the-art (SOTA) methods requiring additional fine-tuning by average accuracy gains of 2.1%, 5.4%, and 2.4%, respectively.

In contrast to classical reinforcement learning, distributional reinforcement learning algorithms aim to learn the distribution of returns rather than their expected value. Since the nature of the return distribution is generally unknown a priori or arbitrarily complex, a common approach finds approximations within a set of representable, parametric distributions. Typically, this involves a projection of the unconstrained distribution onto the set of simplified distributions. We argue that this projection step entails a strong inductive bias when coupled with neural networks and gradient descent, thereby profoundly impacting the generalization behavior of learned models. In order to facilitate reliable uncertainty estimation through diversity, this work studies the combination of several different projections and representations in a distributional ensemble. We establish theoretical properties of such projection ensembles and derive an algorithm that uses ensemble disagreement, measured by the average 1-Wasserstein distance, as a bonus for deep exploration. We evaluate our algorithm on the behavior suite benchmark and find that diverse projection ensembles lead to significant performance improvements over existing methods on a wide variety of tasks with the most pronounced gains in directed exploration problems.

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical physics, is to systematically and slowly destroy structure in a data distribution through an iterative forward diffusion process. We then learn a reverse diffusion process that restores structure in data, yielding a highly flexible and tractable generative model of the data. This approach allows us to rapidly learn, sample from, and evaluate probabilities in deep generative models with thousands of layers or time steps, as well as to compute conditional and posterior probabilities under the learned model. We additionally release an open source reference implementation of the algorithm.

This article introduces Regression Discontinuity Design (RDD) with Distribution-Valued Outcomes (R3D), extending the standard RDD framework to settings where the outcome is a distribution rather than a scalar. Such settings arise when treatment is assigned at a higher level of aggregation than the outcome-for example, when a subsidy is allocated based on a firm-level revenue cutoff while the outcome of interest is the distribution of employee wages within the firm. Since standard RDD methods cannot accommodate such two-level randomness, I propose a novel approach based on random distributions. The target estimand is a "local average quantile treatment effect", which averages across random quantiles. To estimate this target, I introduce two related approaches: one that extends local polynomial regression to random quantiles and another based on local Fr\'echet regression, a form of functional regression. For both estimators, I establish asymptotic normality and develop uniform, debiased confidence bands together with a data-driven bandwidth selection procedure. Simulations validate these theoretical properties and show existing methods to be biased and inconsistent in this setting. I then apply the proposed methods to study the effects of gubernatorial party control on within-state income distributions in the US, using a close-election design. The results suggest a classic equality-efficiency tradeoff under Democratic governorship, driven by reductions in income at the top of the distribution.

In meta reinforcement learning (meta RL), an agent learns from a set of training tasks how to quickly solve a new task, drawn from the same task distribution. The optimal meta RL policy, a.k.a. the Bayes-optimal behavior, is well defined, and guarantees optimal reward in expectation, taken with respect to the task distribution. The question we explore in this work is how many training tasks are required to guarantee approximately optimal behavior with high probability. Recent work provided the first such PAC analysis for a model-free setting, where a history-dependent policy was learned from the training tasks. In this work, we propose a different approach: directly learn the task distribution, using density estimation techniques, and then train a policy on the learned task distribution. We show that our approach leads to bounds that depend on the dimension of the task distribution. In particular, in settings where the task distribution lies in a low-dimensional manifold, we extend our analysis to use dimensionality reduction techniques and account for such structure, obtaining significantly better bounds than previous work, which strictly depend on the number of states and actions. The key of our approach is the regularization implied by the kernel density estimation method. We further demonstrate that this regularization is useful in practice, when `plugged in' the state-of-the-art VariBAD meta RL algorithm.

Customer Lifetime Value (CLTV) prediction is a critical task in business applications. Accurately predicting CLTV is challenging in real-world business scenarios, as the distribution of CLTV is complex and mutable. Firstly, there is a large number of users without any consumption consisting of a long-tailed part that is too complex to fit. Secondly, the small set of high-value users spent orders of magnitude more than a typical user leading to a wide range of the CLTV distribution which is hard to capture in a single distribution. Existing approaches for CLTV estimation either assume a prior probability distribution and fit a single group of distribution-related parameters for all samples, or directly learn from the posterior distribution with manually predefined buckets in a heuristic manner. However, all these methods fail to handle complex and mutable distributions. In this paper, we propose a novel optimal distribution selection model OptDist for CLTV prediction, which utilizes an adaptive optimal sub-distribution selection mechanism to improve the accuracy of complex distribution modeling. Specifically, OptDist trains several candidate sub-distribution networks in the distribution learning module (DLM) for modeling the probability distribution of CLTV. Then, a distribution selection module (DSM) is proposed to select the sub-distribution for each sample, thus making the selection automatically and adaptively. Besides, we design an alignment mechanism that connects both modules, which effectively guides the optimization. We conduct extensive experiments on both two public and one private dataset to verify that OptDist outperforms state-of-the-art baselines. Furthermore, OptDist has been deployed on a large-scale financial platform for customer acquisition marketing campaigns and the online experiments also demonstrate the effectiveness of OptDist.

While efficient distribution learning is no doubt behind the groundbreaking success of diffusion modeling, its theoretical guarantees are quite limited. In this paper, we provide the first rigorous analysis on approximation and generalization abilities of diffusion modeling for well-known function spaces. The highlight of this paper is that when the true density function belongs to the Besov space and the empirical score matching loss is properly minimized, the generated data distribution achieves the nearly minimax optimal estimation rates in the total variation distance and in the Wasserstein distance of order one. Furthermore, we extend our theory to demonstrate how diffusion models adapt to low-dimensional data distributions. We expect these results advance theoretical understandings of diffusion modeling and its ability to generate verisimilar outputs.

Existing autoregressive video distillation methods commonly adopt a Distribution Matching Distillation (DMD)-based multi-stage pipeline. However, they typically decouple the initialization and DMD stages -- which then pursue different target distributions -- and judge the intermediate student mainly by visual scores such as VBench. In this paper, we revisit this design from a distributional perspective. Given the mode-seeking nature of the distribution matching loss, a good initialization should match the mode coverage of the target DMD teacher, rather than merely pursuing high quality. To analyze this, we introduce a distributional evaluation protocol that measures precision and coverage between student and teacher distributions in a shared latent space. It exposes differences hidden by visual scores: some initializations reach high precision but low coverage, leading to suboptimal refinement, while mode-covering ones preserve broader support. Furthermore, even when the target distributions are aligned, DMD's reverse-KL objective can still drive the student toward high-probability teacher regions in late training, reducing coverage and diversity. To address this, we propose joint distillation, which combines DMD's mode-seeking objective with a Consistency Distillation-based mode-covering constraint. Experiments show that our method improves generation quality, coverage, and diversity; notably, even with a Wan-1.3B DMD teacher, it outperforms baselines refined with Wan-14B, underscoring the importance of distributional alignment in autoregressive video distillation.

A prominent family of methods for learning data distributions relies on density ratio estimation (DRE), where a model is trained to classify between data samples and samples from some reference distribution. DRE-based models can directly output the likelihood for any given input, a highly desired property that is lacking in most generative techniques. Nevertheless, to date, DRE methods have failed in accurately capturing the distributions of complex high-dimensional data, like images, and have thus been drawing reduced research attention in recent years. In this work we present classification diffusion models (CDMs), a DRE-based generative method that adopts the formalism of denoising diffusion models (DDMs) while making use of a classifier that predicts the level of noise added to a clean signal. Our method is based on an analytical connection that we derive between the MSE-optimal denoiser for removing white Gaussian noise and the cross-entropy-optimal classifier for predicting the noise level. Our method is the first DRE-based technique that can successfully generate images beyond the MNIST dataset. Furthermore, it can output the likelihood of any input in a single forward pass, achieving state-of-the-art negative log likelihood (NLL) among methods with this property. Code is available on the project's webpage in https://shaharYadin.github.io/CDM/ .

To improve the sample efficiency of policy-gradient based reinforcement learning algorithms, we propose implicit distributional actor-critic (IDAC) that consists of a distributional critic, built on two deep generator networks (DGNs), and a semi-implicit actor (SIA), powered by a flexible policy distribution. We adopt a distributional perspective on the discounted cumulative return and model it with a state-action-dependent implicit distribution, which is approximated by the DGNs that take state-action pairs and random noises as their input. Moreover, we use the SIA to provide a semi-implicit policy distribution, which mixes the policy parameters with a reparameterizable distribution that is not constrained by an analytic density function. In this way, the policy's marginal distribution is implicit, providing the potential to model complex properties such as covariance structure and skewness, but its parameter and entropy can still be estimated. We incorporate these features with an off-policy algorithm framework to solve problems with continuous action space and compare IDAC with state-of-the-art algorithms on representative OpenAI Gym environments. We observe that IDAC outperforms these baselines in most tasks. Python code is provided.

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

LLM agents increasingly rely on generated interaction data to learn how to interact with external environments. Agentic data generation must maintain consistency among environments, tasks, interactions, and success signals while producing experience that is useful rather than merely abundant. Existing work spans many agent domains, but domain-centered organization and heterogeneous evaluation often obscure common generation mechanisms and conflate candidate construction with verification and selection. This work develops a two-level framework for the field. First, we represent agentic data as a common factorized object (E,q,τ,v), comprising an environment specification, task signal, interaction realization, and optional verifier. We organize generation paradigms by their primary anchor and dependency structure. Second, we formulate generation as constrained distribution design through the Accuracy-Complexity-divErsity (ACE) lens. Accuracy establishes the feasible support of grounded and internally consistent data. Within this support, Complexity places learning mass relative to the capability of a declared learner and execution configuration, while divErsity controls coverage and redundancy of data. Using this framework, we explore how prior work verifies generated experience, constructs and calibrates difficulty, and expands behavioral coverage. The literature reveals a shift toward execution-grounded accuracy, learner-relative complexity, and diversity beyond surface variation or dataset size. We further discuss broader directions and emerging trends in agentic data generation through the ACE lens, including their implications for scaling, data sources, training regimes and adaptive learning. Overall, the central challenge is not simply to generate more data, but to continually allocate valid, informative, and non-redundant experience as agents and environments evolve.

We study the problem of estimating the distribution of the return of a policy using an offline dataset that is not generated from the policy, i.e., distributional offline policy evaluation (OPE). We propose an algorithm called Fitted Likelihood Estimation (FLE), which conducts a sequence of Maximum Likelihood Estimation (MLE) and has the flexibility of integrating any state-of-the-art probabilistic generative models as long as it can be trained via MLE. FLE can be used for both finite-horizon and infinite-horizon discounted settings where rewards can be multi-dimensional vectors. Our theoretical results show that for both finite-horizon and infinite-horizon discounted settings, FLE can learn distributions that are close to the ground truth under total variation distance and Wasserstein distance, respectively. Our theoretical results hold under the conditions that the offline data covers the test policy's traces and that the supervised learning MLE procedures succeed. Experimentally, we demonstrate the performance of FLE with two generative models, Gaussian mixture models and diffusion models. For the multi-dimensional reward setting, FLE with diffusion models is capable of estimating the complicated distribution of the return of a test policy.

In dynamic programming (DP) and reinforcement learning (RL), an agent learns to act optimally in terms of expected long-term return by sequentially interacting with its environment modeled by a Markov decision process (MDP). More generally in distributional reinforcement learning (DRL), the focus is on the whole distribution of the return, not just its expectation. Although DRL-based methods produced state-of-the-art performance in RL with function approximation, they involve additional quantities (compared to the non-distributional setting) that are still not well understood. As a first contribution, we introduce a new class of distributional operators, together with a practical DP algorithm for policy evaluation, that come with a robust MDP interpretation. Indeed, our approach reformulates through an augmented state space where each state is split into a worst-case substate and a best-case substate, whose values are maximized by safe and risky policies respectively. Finally, we derive distributional operators and DP algorithms solving a new control task: How to distinguish safe from risky optimal actions in order to break ties in the space of optimal policies?

Learning a transport model that maps a source distribution to a target distribution is a canonical problem in machine learning, but scientific applications increasingly require models that can generalize to source and target distributions unseen during training. We introduce distribution-conditioned transport (DCT), a framework that conditions transport maps on learned embeddings of source and target distributions, enabling generalization to unseen distribution pairs. DCT also allows semi-supervised learning for distributional forecasting problems: because it learns from arbitrary distribution pairs, it can leverage distributions observed at only one condition to improve transport prediction. DCT is agnostic to the underlying transport mechanism, supporting models ranging from flow matching to distributional divergence-based models (e.g. Wasserstein, MMD). We demonstrate the practical performance benefits of DCT on synthetic benchmarks and four applications in biology: batch effect transfer in single-cell genomics, perturbation prediction from mass cytometry data, learning clonal transcriptional dynamics in hematopoiesis, and modeling T-cell receptor sequence evolution.

In reinforcement learning and imitation learning, an object of central importance is the state distribution induced by the policy. It plays a crucial role in the policy gradient theorem, and references to it--along with the related state-action distribution--can be found all across the literature. Despite its importance, the state distribution is mostly discussed indirectly and theoretically, rather than being modeled explicitly. The reason being an absence of appropriate density estimation tools. In this work, we investigate applications of a normalizing flow-based model for the aforementioned distributions. In particular, we use a pair of flows coupled through the optimality point of the Donsker-Varadhan representation of the Kullback-Leibler (KL) divergence, for distribution matching based imitation learning. Our algorithm, Coupled Flow Imitation Learning (CFIL), achieves state-of-the-art performance on benchmark tasks with a single expert trajectory and extends naturally to a variety of other settings, including the subsampled and state-only regimes.

Adapting a pretrained diffusion model to new objectives at inference time remains an open problem in generative modeling. Existing steering methods suffer from inaccurate value estimation, especially at high noise levels, which biases guidance. Moreover, information from past runs is not reused to improve sample quality, resulting in inefficient use of compute. Inspired by the success of Monte Carlo Tree Search, we address these limitations by casting inference-time alignment as a search problem that reuses past computations. We introduce a tree-based approach that samples from the reward-aligned target density by propagating terminal rewards back through the diffusion chain and iteratively refining value estimates with each additional generation. Our proposed method, Diffusion Tree Sampling (DTS), produces asymptotically exact samples from the target distribution in the limit of infinite rollouts, and its greedy variant, Diffusion Tree Search (DTS^star), performs a global search for high reward samples. On MNIST and CIFAR-10 class-conditional generation, DTS matches the FID of the best-performing baseline with up to 10times less compute. In text-to-image generation and language completion tasks, DTS^star effectively searches for high reward samples that match best-of-N with up to 5times less compute. By reusing information from previous generations, we get an anytime algorithm that turns additional compute into steadily better samples, providing a scalable approach for inference-time alignment of diffusion models.

Reinforcement learning (RL) allows an agent interacting sequentially with an environment to maximize its long-term expected return. In the distributional RL (DistrRL) paradigm, the agent goes beyond the limit of the expected value, to capture the underlying probability distribution of the return across all time steps. The set of DistrRL algorithms has led to improved empirical performance. Nevertheless, the theory of DistrRL is still not fully understood, especially in the control case. In this paper, we present the simpler one-step distributional reinforcement learning (OS-DistrRL) framework encompassing only the randomness induced by the one-step dynamics of the environment. Contrary to DistrRL, we show that our approach comes with a unified theory for both policy evaluation and control. Indeed, we propose two OS-DistrRL algorithms for which we provide an almost sure convergence analysis. The proposed approach compares favorably with categorical DistrRL on various environments.

Multi-agent systems play a central role in area coverage tasks across search-and-rescue, environmental monitoring, and precision agriculture. Achieving non-uniform coverage, where spatial priorities vary across the domain, requires coordinating agents while respecting dynamic and communication constraints. Density-driven approaches can distribute agents according to a prescribed reference density, but existing methods do not ensure connectivity. This limitation often leads to communication loss, reduced coordination, and degraded coverage performance. This letter introduces a connectivity-preserving extension of the Density-Driven Optimal Control (D2OC) framework. The coverage objective, defined using the Wasserstein distance between the agent distribution and the reference density, admits a convex quadratic program formulation. Communication constraints are incorporated through a smooth connectivity penalty, which maintains strict convexity, supports distributed implementation, and preserves inter-agent communication without imposing rigid formations. Simulation studies show that the proposed method consistently maintains connectivity, improves convergence speed, and enhances non-uniform coverage quality compared with density-driven schemes that do not incorporate explicit connectivity considerations.

Many inference-time language-model pipelines combine a cheap reward signal with an expensive verifier, such as exact answer checking in mathematical reasoning or hidden-test execution in code generation. We formalize this setting using a learning-theoretic lens as generative active search: a cost-sensitive first-positive search problem in which a policy adaptively samples candidates from an unknown distribution, observes cheap scores, and pays for verifier labels until it finds a positive example. For a fixed prompt, the generator and reward model induce two unknown objects: a distribution over reward scores and a score-conditioned success function. When these quantities are known, we characterize the distribution-aware optimal policy using a dynamic programming approach. In the realistic and practical setting where both the score distribution and success function are unknown, we propose ADAP, a shellwise adaptive generate-rank-verify algorithm that progressively increases the number of sampled responses and top-ranked verifications. Under the monotonicity assumption that higher reward scores are no less likely to pass verification, we show that ADAP achieves expected cost within a constant factor of the distribution-aware optimum. We complement this result with learning-theoretic lower bounds, based on a centered star number, showing that structural assumptions on the score--label relationship are necessary. Experiments on mathematical reasoning and competitive programming validate the predicted advantage over both fixed non-adaptive policies and difficulty-adaptive baselines.

Diffusion models are a class of probabilistic generative models that have been widely used as a prior for image processing tasks like text conditional generation and inpainting. We demonstrate that these models can be adapted to make predictions and provide uncertainty quantification for chaotic dynamical systems. In these applications, diffusion models can implicitly represent knowledge about outliers and extreme events; however, querying that knowledge through conditional sampling or measuring probabilities is surprisingly difficult. Existing methods for conditional sampling at inference time seek mainly to enforce the constraints, which is insufficient to match the statistics of the distribution or compute the probability of the chosen events. To achieve these ends, optimally one would use the conditional score function, but its computation is typically intractable. In this work, we develop a probabilistic approximation scheme for the conditional score function which provably converges to the true distribution as the noise level decreases. With this scheme we are able to sample conditionally on nonlinear userdefined events at inference time, and matches data statistics even when sampling from the tails of the distribution.

In this paper we argue for the fundamental importance of the value distribution: the distribution of the random return received by a reinforcement learning agent. This is in contrast to the common approach to reinforcement learning which models the expectation of this return, or value. Although there is an established body of literature studying the value distribution, thus far it has always been used for a specific purpose such as implementing risk-aware behaviour. We begin with theoretical results in both the policy evaluation and control settings, exposing a significant distributional instability in the latter. We then use the distributional perspective to design a new algorithm which applies Bellman's equation to the learning of approximate value distributions. We evaluate our algorithm using the suite of games from the Arcade Learning Environment. We obtain both state-of-the-art results and anecdotal evidence demonstrating the importance of the value distribution in approximate reinforcement learning. Finally, we combine theoretical and empirical evidence to highlight the ways in which the value distribution impacts learning in the approximate setting.

Learning models with categorical variables requires optimizing expectations over discrete distributions, a setting in which stochastic gradient-based optimization is challenging due to the non-differentiability of categorical sampling. A common workaround is to replace the discrete distribution with a continuous relaxation, yielding a smooth surrogate that admits reparameterized gradient estimates via the reparameterization trick. Building on this idea, we introduce ReDGE, a novel and efficient diffusion-based soft reparameterization method for categorical distributions. Our approach defines a flexible class of gradient estimators that includes the Straight-Through estimator as a special case. Experiments spanning latent variable models and inference-time reward guidance in discrete diffusion models demonstrate that ReDGE consistently matches or outperforms existing gradient-based methods. The code will be made available at https://github.com/samsongourevitch/redge.

Flow matching has recently emerged as a promising alternative to diffusion-based generative models, particularly for text-to-image generation. Despite its flexibility in allowing arbitrary source distributions, most existing approaches rely on a standard Gaussian distribution, a choice inherited from diffusion models, and rarely consider the source distribution itself as an optimization target in such settings. In this work, we show that principled design of the source distribution is not only feasible but also beneficial at the scale of modern text-to-image systems. Specifically, we propose learning a condition-dependent source distribution under flow matching objective that better exploit rich conditioning signals. We identify key failure modes that arise when directly incorporating conditioning into the source, including distributional collapse and instability, and show that appropriate variance regularization and directional alignment between source and target are critical for stable and effective learning. We further analyze how the choice of target representation space impacts flow matching with structured sources, revealing regimes in which such designs are most effective. Extensive experiments across multiple text-to-image benchmarks demonstrate consistent and robust improvements, including up to a 3x faster convergence in FID, highlighting the practical benefits of a principled source distribution design for conditional flow matching.

The integration of large language models (LLMs) with external tools has significantly expanded the capabilities of AI agents. However, as the diversity of both LLMs and tools increases, selecting the optimal model-tool combination becomes a high-dimensional optimization challenge. Existing approaches often rely on a single model or fixed tool-calling logic, failing to exploit the performance variations across heterogeneous model-tool pairs. In this paper, we present ATLAS (Adaptive Tool-LLM Alignment and Synergistic Invocation), a dual-path framework for dynamic tool usage in cross-domain complex reasoning. ATLAS operates via a dual-path approach: (1) training-free cluster-based routing that exploits empirical priors for domain-specific alignment, and (2) RL-based multi-step routing that explores autonomous trajectories for out-of-distribution generalization. Extensive experiments across 15 benchmarks demonstrate that our method outperforms closed-source models like GPT-4o, surpassing existing routing methods on both in-distribution (+10.1%) and out-of-distribution (+13.1%) tasks. Furthermore, our framework shows significant gains in visual reasoning by orchestrating specialized multi-modal tools.

Diffusion models achieve state-of-the-art performance in various generation tasks. However, their theoretical foundations fall far behind. This paper studies score approximation, estimation, and distribution recovery of diffusion models, when data are supported on an unknown low-dimensional linear subspace. Our result provides sample complexity bounds for distribution estimation using diffusion models. We show that with a properly chosen neural network architecture, the score function can be both accurately approximated and efficiently estimated. Furthermore, the generated distribution based on the estimated score function captures the data geometric structures and converges to a close vicinity of the data distribution. The convergence rate depends on the subspace dimension, indicating that diffusion models can circumvent the curse of data ambient dimensionality.

Intervention-based model steering offers a lightweight and interpretable alternative to prompting and fine-tuning. However, by adapting strong optimization objectives from fine-tuning, current methods are susceptible to overfitting and often underperform, sometimes generating unnatural outputs. We hypothesize that this is because effective steering requires the faithful identification of internal model mechanisms, not the enforcement of external preferences. To this end, we build on the principles of distributed alignment search (DAS), the standard for causal variable localization, to propose a new steering method: Concept DAS (CDAS). While we adopt the core mechanism of DAS, distributed interchange intervention (DII), we introduce a novel distribution matching objective tailored for the steering task by aligning intervened output distributions with counterfactual distributions. CDAS differs from prior work in two main ways: first, it learns interventions via weak-supervised distribution matching rather than probability maximization; second, it uses DIIs that naturally enable bi-directional steering and allow steering factors to be derived from data, reducing the effort required for hyperparameter tuning and resulting in more faithful and stable control. On AxBench, a large-scale model steering benchmark, we show that CDAS does not always outperform preference-optimization methods but may benefit more from increased model scale. In two safety-related case studies, overriding refusal behaviors of safety-aligned models and neutralizing a chain-of-thought backdoor, CDAS achieves systematic steering while maintaining general model utility. These results indicate that CDAS is complementary to preference-optimization approaches and conditionally constitutes a robust approach to intervention-based model steering. Our code is available at https://github.com/colored-dye/concept_das.

Dataset Distillation (DD) emerges as a powerful strategy to encapsulate the expansive information of large datasets into significantly smaller, synthetic equivalents, thereby preserving model performance with reduced computational overhead. Pursuing this objective, we introduce the Wasserstein distance, a metric grounded in optimal transport theory, to enhance distribution matching in DD. Our approach employs the Wasserstein barycenter to provide a geometrically meaningful method for quantifying distribution differences and capturing the centroid of distribution sets efficiently. By embedding synthetic data in the feature spaces of pretrained classification models, we facilitate effective distribution matching that leverages prior knowledge inherent in these models. Our method not only maintains the computational advantages of distribution matching-based techniques but also achieves new state-of-the-art performance across a range of high-resolution datasets. Extensive testing demonstrates the effectiveness and adaptability of our method, underscoring the untapped potential of Wasserstein metrics in dataset distillation.

Many real-world problems require reasoning across multiple scales, demanding models which operate not on single data points, but on entire distributions. We introduce generative distribution embeddings (GDE), a framework that lifts autoencoders to the space of distributions. In GDEs, an encoder acts on sets of samples, and the decoder is replaced by a generator which aims to match the input distribution. This framework enables learning representations of distributions by coupling conditional generative models with encoder networks which satisfy a criterion we call distributional invariance. We show that GDEs learn predictive sufficient statistics embedded in the Wasserstein space, such that latent GDE distances approximately recover the W_2 distance, and latent interpolation approximately recovers optimal transport trajectories for Gaussian and Gaussian mixture distributions. We systematically benchmark GDEs against existing approaches on synthetic datasets, demonstrating consistently stronger performance. We then apply GDEs to six key problems in computational biology: learning representations of cell populations from lineage-tracing data (150K cells), predicting perturbation effects on single-cell transcriptomes (1M cells), predicting perturbation effects on cellular phenotypes (20M single-cell images), modeling tissue-specific DNA methylation patterns (253M sequences), designing synthetic yeast promoters (34M sequences), and spatiotemporal modeling of viral protein sequences (1M sequences).

Adaptation methods have been a workhorse for unlocking the transformative power of pre-trained diffusion models in diverse applications. Existing approaches often abstract adaptation objectives as a reward function and steer diffusion models to generate high-reward samples. However, these approaches can incur high computational overhead due to additional training, or rely on stringent assumptions on the reward such as differentiability. Moreover, despite their empirical success, theoretical justification and guarantees are seldom established. In this paper, we propose DOIT (Doob-Oriented Inference-time Transformation), a training-free and computationally efficient adaptation method that applies to generic, non-differentiable rewards. The key framework underlying our method is a measure transport formulation that seeks to transport the pre-trained generative distribution to a high-reward target distribution. We leverage Doob's h-transform to realize this transport, which induces a dynamic correction to the diffusion sampling process and enables efficient simulation-based computation without modifying the pre-trained model. Theoretically, we establish a high probability convergence guarantee to the target high-reward distribution via characterizing the approximation error in the dynamic Doob's correction. Empirically, on D4RL offline RL benchmarks, our method consistently outperforms state-of-the-art baselines while preserving sampling efficiency.

While previous distribution shift detection approaches can identify if a shift has occurred, these approaches cannot localize which specific features have caused a distribution shift -- a critical step in diagnosing or fixing any underlying issue. For example, in military sensor networks, users will want to detect when one or more of the sensors has been compromised, and critically, they will want to know which specific sensors might be compromised. Thus, we first define a formalization of this problem as multiple conditional distribution hypothesis tests and propose both non-parametric and parametric statistical tests. For both efficiency and flexibility, we then propose to use a test statistic based on the density model score function (i.e. gradient with respect to the input) -- which can easily compute test statistics for all dimensions in a single forward and backward pass. Any density model could be used for computing the necessary statistics including deep density models such as normalizing flows or autoregressive models. We additionally develop methods for identifying when and where a shift occurs in multivariate time-series data and show results for multiple scenarios using realistic attack models on both simulated and real world data.

Recent advances in formal theorem proving have focused on Olympiad-level mathematics, leaving undergraduate domains largely unexplored. Optimization, fundamental to machine learning, operations research, and scientific computing, remains underserved by existing provers. Its reliance on domain-specific formalisms (convexity, optimality conditions, and algorithmic analysis) creates significant distribution shift, making naive domain transfer ineffective. We present OptProver, a trained model that achieves robust transfer from Olympiad to undergraduate optimization. Starting from a strong Olympiad-level prover, our pipeline mitigates distribution shift through two key innovations. First, we employ large-scale optimization-focused data curation via expert iteration. Second, we introduce a specialized preference learning objective that integrates perplexity-weighted optimization with a mechanism to penalize valid but non-progressing proof steps. This not only addresses distribution shifts but also guides the search toward efficient trajectories. To enable rigorous evaluation, we construct a novel benchmark in Lean 4 focused on optimization. On this benchmark, OptProver achieves state-of-the-art Pass@1 and Pass@32 among comparably sized models while maintaining competitive performance on general theorem-proving tasks, demonstrating effective domain transfer without catastrophic forgetting.

Improving the reasoning capabilities of large language models (LLMs) typically relies either on the model's ability to sample a correct solution to be reinforced or on the existence of a stronger model able to solve the problem. However, many difficult problems remain intractable for even current frontier models, preventing the extraction of valid training signals. A promising alternative is to leverage high-quality expert human solutions, yet naive imitation of this data fails because it is fundamentally out of distribution: expert solutions are typically didactic, containing implicit reasoning gaps intended for human readers rather than computational models. Furthermore, high-quality expert solutions are expensive, necessitating generalizable sample-efficient training methods. We propose Distribution Aligned Imitation Learning (DAIL), a two-step method that bridges the distributional gap by first transforming expert solutions into detailed, in-distribution reasoning traces and then applying a contrastive objective to focus learning on expert insights and methodologies. We find that DAIL can leverage fewer than 1000 high-quality expert solutions to achieve 10-25% pass@k gains on Qwen2.5-Instruct and Qwen3 models, improve reasoning efficiency by 2x to 4x, and enable out-of-domain generalization.

In this work, we build on recent advances in distributional reinforcement learning to give a generally applicable, flexible, and state-of-the-art distributional variant of DQN. We achieve this by using quantile regression to approximate the full quantile function for the state-action return distribution. By reparameterizing a distribution over the sample space, this yields an implicitly defined return distribution and gives rise to a large class of risk-sensitive policies. We demonstrate improved performance on the 57 Atari 2600 games in the ALE, and use our algorithm's implicitly defined distributions to study the effects of risk-sensitive policies in Atari games.

Many machine learning applications require operating on a spatially distributed dataset. Despite technological advances, privacy considerations and communication constraints may prevent gathering the entire dataset in a central unit. In this paper, we propose a distributed sampling scheme based on the alternating direction method of multipliers, which is commonly used in the optimization literature due to its fast convergence. In contrast to distributed optimization, distributed sampling allows for uncertainty quantification in Bayesian inference tasks. We provide both theoretical guarantees of our algorithm's convergence and experimental evidence of its superiority to the state-of-the-art. For our theoretical results, we use convex optimization tools to establish a fundamental inequality on the generated local sample iterates. This inequality enables us to show convergence of the distribution associated with these iterates to the underlying target distribution in Wasserstein distance. In simulation, we deploy our algorithm on linear and logistic regression tasks and illustrate its fast convergence compared to existing gradient-based methods.

Machine learning models frequently experience performance drops under distribution shifts. The underlying cause of such shifts may be multiple simultaneous factors such as changes in data quality, differences in specific covariate distributions, or changes in the relationship between label and features. When a model does fail during deployment, attributing performance change to these factors is critical for the model developer to identify the root cause and take mitigating actions. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

Diffusion models achieve state-of-the-art generative performance but are fundamentally bottlenecked by their slow, iterative sampling process. While diffusion distillation techniques enable high-fidelity, few-step generation, traditional objectives often restrict the student's performance by anchoring it solely to the teacher. Recent approaches have attempted to break this ceiling by integrating Reinforcement Learning (RL), typically through a simple summation of distillation and RL objectives. In this work, we propose a novel paradigm by re-conceptualizing distribution matching as a reward, denoted as R_dm. This unified perspective bridges the algorithmic gap between Diffusion Matching Distillation (DMD) and RL, providing several primary benefits. (1) Enhanced Optimization Stability: We introduce Group Normalized Distribution Matching (GNDM), which adapts standard RL group normalization to stabilize R_dm estimation. By leveraging group-mean statistics, GNDM establishes a more robust and effective optimization direction. (2) Seamless Reward Integration: Our reward-centric formulation inherently supports adaptive weighting mechanisms, allowing for the fluid combination of DMD with external reward models. (3) Improved Sampling Efficiency: By aligning with RL principles, the framework readily incorporates Importance Sampling (IS), leading to a significant boost in sampling efficiency. Extensive experiments demonstrate that GNDM outperforms vanilla DMD, reducing the FID by 1.87. Furthermore, our multi-reward variant, GNDMR, surpasses existing baselines by striking an optimal balance between aesthetic quality and fidelity, achieving a peak HPS of 30.37 and a low FID-SD of 12.21. Ultimately, R_dm provides a flexible, stable, and efficient framework for real-time, high-fidelity synthesis. Codes are coming soon.

Identifying Out-of-distribution (OOD) data is becoming increasingly critical as the real-world applications of deep learning methods expand. Post-hoc methods modify softmax scores fine-tuned on outlier data or leverage intermediate feature layers to identify distinctive patterns between In-Distribution (ID) and OOD samples. Other methods focus on employing diverse OOD samples to learn discrepancies between ID and OOD. These techniques, however, are typically dependent on the quality of the outlier samples assumed. Density-based methods explicitly model class-conditioned distributions but this requires long training time or retraining the classifier. To tackle these issues, we introduce FlowCon, a new density-based OOD detection technique. Our main innovation lies in efficiently combining the properties of normalizing flow with supervised contrastive learning, ensuring robust representation learning with tractable density estimation. Empirical evaluation shows the enhanced performance of our method across common vision datasets such as CIFAR-10 and CIFAR-100 pretrained on ResNet18 and WideResNet classifiers. We also perform quantitative analysis using likelihood plots and qualitative visualization using UMAP embeddings and demonstrate the robustness of the proposed method under various OOD contexts. Code will be open-sourced post decision.

The new paradigm of test-time scaling has yielded remarkable breakthroughs in Large Language Models (LLMs) (e.g. reasoning models) and in generative vision models, allowing models to allocate additional computation during inference to effectively tackle increasingly complex problems. Despite the improvements of this approach, an important limitation emerges: the substantial increase in computation time makes the process slow and impractical for many applications. Given the success of this paradigm and its growing usage, we seek to preserve its benefits while eschewing the inference overhead. In this work we propose one solution to the critical problem of integrating test-time scaling knowledge into a model during post-training. Specifically, we replace reward guided test-time noise optimization in diffusion models with a Noise Hypernetwork that modulates initial input noise. We propose a theoretically grounded framework for learning this reward-tilted distribution for distilled generators, through a tractable noise-space objective that maintains fidelity to the base model while optimizing for desired characteristics. We show that our approach recovers a substantial portion of the quality gains from explicit test-time optimization at a fraction of the computational cost. Code is available at https://github.com/ExplainableML/HyperNoise

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.

Recent work in probability-domain knowledge distillation has established axiomatic frameworks for temperature scaling, multi-teacher aggregation, and bias-variance trade-offs in single-stage settings. However, the mathematical behavior of recursive or multi-generation distillation remains poorly understood, with prior approaches relying primarily on empirical heuristics. In this work, we introduce an axiomatic and operator-theoretic framework for recursive meta-distillation, formalizing iterative knowledge distillation as a sequence of probability-distribution operators with explicit anchoring to base teachers. We define structural axioms for valid meta-teacher construction and prove the existence of non-trivial operator families satisfying these axioms without specifying particular algorithms or loss functions. Under mild realizability and convexity assumptions, we show that anchored recursive distillation induces contraction in KL divergence, yielding geometric convergence to base teacher distributions and a unique, globally attractive fixed point. The contribution is foundational rather than algorithmic: the framework characterizes when recursive distillation is mathematically well-posed and convergent rather than error-accumulating, independent of model architecture, optimization details, or specific operator instantiations. These results provide a theoretical basis for understanding stability, bias-variance behavior, and failure modes in iterative and multi-teacher distillation under capacity constraints.

We propose a new approach for propagating stable probability distributions through neural networks. Our method is based on local linearization, which we show to be an optimal approximation in terms of total variation distance for the ReLU non-linearity. This allows propagating Gaussian and Cauchy input uncertainties through neural networks to quantify their output uncertainties. To demonstrate the utility of propagating distributions, we apply the proposed method to predicting calibrated confidence intervals and selective prediction on out-of-distribution data. The results demonstrate a broad applicability of propagating distributions and show the advantages of our method over other approaches such as moment matching.

This paper revisits the problem of computing empirical cumulative distribution functions (ECDF) efficiently on large, multivariate datasets. Computing an ECDF at one evaluation point requires O(N) operations on a dataset composed of N data points. Therefore, a direct evaluation of ECDFs at N evaluation points requires a quadratic O(N^2) operations, which is prohibitive for large-scale problems. Two fast and exact methods are proposed and compared. The first one is based on fast summation in lexicographical order, with a O(N{log}N) complexity and requires the evaluation points to lie on a regular grid. The second one is based on the divide-and-conquer principle, with a O(Nlog(N)^{(d-1){vee}1}) complexity and requires the evaluation points to coincide with the input points. The two fast algorithms are described and detailed in the general d-dimensional case, and numerical experiments validate their speed and accuracy. Secondly, the paper establishes a direct connection between cumulative distribution functions and kernel density estimation (KDE) for a large class of kernels. This connection paves the way for fast exact algorithms for multivariate kernel density estimation and kernel regression. Numerical tests with the Laplacian kernel validate the speed and accuracy of the proposed algorithms. A broad range of large-scale multivariate density estimation, cumulative distribution estimation, survival function estimation and regression problems can benefit from the proposed numerical methods.

In many real-world scenarios, obtaining fully observed samples is prohibitively expensive or even infeasible, while partial and noisy observations are comparatively easy to collect. In this work, we study distribution restoration with abundant noisy samples, assuming the corruption process is available as a black-box generator. We show that this task can be framed as a one-sided entropic optimal transport problem and solved via an EM-like algorithm. We further provide a test criterion to determine whether the true underlying distribution is recoverable under per-sample information loss, and show that in otherwise unrecoverable cases, a small number of clean samples can render the distribution largely recoverable. Building on these insights, we introduce SFBD-OMNI, a bridge model-based framework that maps corrupted sample distributions to the ground-truth distribution. Our method generalizes Stochastic Forward-Backward Deconvolution (SFBD; Lu et al., 2025) to handle arbitrary measurement models beyond Gaussian corruption. Experiments across benchmark datasets and diverse measurement settings demonstrate significant improvements in both qualitative and quantitative performance.

Recent advances in few-step diffusion distillation have enabled efficient image generation, yet aligning these models with human preferences remains challenging. We propose Reward-Tilted Distribution Matching Distillation (RTDMD), a two-stage framework that unifies distribution matching distillation with reward-guided reinforcement learning for few-step flow generators. We show that minimizing the KL divergence to a reward-tilted teacher distribution naturally decomposes into a distribution matching term and a reward maximization term. In the first stage, we introduce Ambient-Consistent Distribution Matching Distillation (AC-DMD), which performs subinterval-wise distribution matching and augments the fake score objective with a consistency regularizer to help the fake score model track the shifting generator distribution under limited updates. In the second stage, we jointly optimize both terms: for the reward maximization term, we derive a hybrid policy gradient that combines a GRPO-style estimator for the stochastic intermediate transitions with direct reward backpropagation through the deterministic final step, and further introduce step-subset GRPO (SubGRPO) to reduce variance. Experiments on SD3, SD3.5, and FLUX.2 demonstrate that RTDMD establishes new state-of-the-art results across preference, aesthetic, and compositional metrics with only 4 inference steps, outperforming previous few-step text-to-image generation methods. Code and models are available at https://github.com/Harahan/RTDMD.

Machine learning systems deployed in the wild are often trained on a source distribution but deployed on a different target distribution. Unlabeled data can be a powerful point of leverage for mitigating these distribution shifts, as it is frequently much more available than labeled data and can often be obtained from distributions beyond the source distribution as well. However, existing distribution shift benchmarks with unlabeled data do not reflect the breadth of scenarios that arise in real-world applications. In this work, we present the WILDS 2.0 update, which extends 8 of the 10 datasets in the WILDS benchmark of distribution shifts to include curated unlabeled data that would be realistically obtainable in deployment. These datasets span a wide range of applications (from histology to wildlife conservation), tasks (classification, regression, and detection), and modalities (photos, satellite images, microscope slides, text, molecular graphs). The update maintains consistency with the original WILDS benchmark by using identical labeled training, validation, and test sets, as well as the evaluation metrics. On these datasets, we systematically benchmark state-of-the-art methods that leverage unlabeled data, including domain-invariant, self-training, and self-supervised methods, and show that their success on WILDS is limited. To facilitate method development and evaluation, we provide an open-source package that automates data loading and contains all of the model architectures and methods used in this paper. Code and leaderboards are available at https://wilds.stanford.edu.

There has been a lot of recent interest in designing neural network models to estimate a distribution from a set of examples. We introduce a simple modification for autoencoder neural networks that yields powerful generative models. Our method masks the autoencoder's parameters to respect autoregressive constraints: each input is reconstructed only from previous inputs in a given ordering. Constrained this way, the autoencoder outputs can be interpreted as a set of conditional probabilities, and their product, the full joint probability. We can also train a single network that can decompose the joint probability in multiple different orderings. Our simple framework can be applied to multiple architectures, including deep ones. Vectorized implementations, such as on GPUs, are simple and fast. Experiments demonstrate that this approach is competitive with state-of-the-art tractable distribution estimators. At test time, the method is significantly faster and scales better than other autoregressive estimators.

Recent progress has shown promise in distilling multi-step video diffusion models into efficient few-step students. Among them, Distribution Matching Distillation (DMD) and its successor DMD2 achieved strong generation quality and fast convergence. However, due to the nature of the reverse Kullback--Leibler (KL) objective, these methods exhibit two persistent failure modes: a substantial drop in sample diversity, and visibly over-saturated outputs that deviate from real-video appearance. In this work, we propose Data-Forcing Distillation (DFD), a simple post-training framework that restores diversity and fidelity in DMD with only a single-line of code change. At its core is the teacher score discrepancy to guide the student toward the real-data distribution, pulling it to missing modes (mitigating mode collapse) and away from problematic modes absent in real data (avoiding over-saturation). We provide an in-depth theoretical analysis of our framework and validate our approach on text-to-video, image-to-video, and autoregressive video generation. With only 100--300 steps of finetuning, DFD effectively restores diversity and fidelity on both Wan2.1-1.3B and Cosmos-Predict2.5-2B model, resolving the over-saturation artifacts with significantly better video dynamics and appearance, and even outperforms the teacher model.

Post-hoc out-of-distribution (OOD) detection has garnered intensive attention in reliable machine learning. Many efforts have been dedicated to deriving score functions based on logits, distances, or rigorous data distribution assumptions to identify low-scoring OOD samples. Nevertheless, these estimate scores may fail to accurately reflect the true data density or impose impractical constraints. To provide a unified perspective on density-based score design, we propose a novel theoretical framework grounded in Bregman divergence, which extends distribution considerations to encompass an exponential family of distributions. Leveraging the conjugation constraint revealed in our theorem, we introduce a ConjNorm method, reframing density function design as a search for the optimal norm coefficient p against the given dataset. In light of the computational challenges of normalization, we devise an unbiased and analytically tractable estimator of the partition function using the Monte Carlo-based importance sampling technique. Extensive experiments across OOD detection benchmarks empirically demonstrate that our proposed ConjNorm has established a new state-of-the-art in a variety of OOD detection setups, outperforming the current best method by up to 13.25% and 28.19% (FPR95) on CIFAR-100 and ImageNet-1K, respectively.

Large-scale commercial platforms usually involve numerous business domains for diverse business strategies and expect their recommendation systems to provide click-through rate (CTR) predictions for multiple domains simultaneously. Existing promising and widely-used multi-domain models discover domain relationships by explicitly constructing domain-specific networks, but the computation and memory boost significantly with the increase of domains. To reduce computational complexity, manually grouping domains with particular business strategies is common in industrial applications. However, this pre-defined data partitioning way heavily relies on prior knowledge, and it may neglect the underlying data distribution of each domain, hence limiting the model's representation capability. Regarding the above issues, we propose an elegant and flexible multi-distribution modeling paradigm, named Adaptive Distribution Hierarchical Model (AdaptDHM), which is an end-to-end optimization hierarchical structure consisting of a clustering process and classification process. Specifically, we design a distribution adaptation module with a customized dynamic routing mechanism. Instead of introducing prior knowledge for pre-defined data allocation, this routing algorithm adaptively provides a distribution coefficient for each sample to determine which cluster it belongs to. Each cluster corresponds to a particular distribution so that the model can sufficiently capture the commonalities and distinctions between these distinct clusters. Extensive experiments on both public and large-scale Alibaba industrial datasets verify the effectiveness and efficiency of AdaptDHM: Our model achieves impressive prediction accuracy and its time cost during the training stage is more than 50% less than that of other models.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

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.

It is well known that ensemble methods often provide enhanced performance in reinforcement learning. In this paper, we explore this concept further by using group-aided training within the distributional reinforcement learning paradigm. Specifically, we propose an extension to categorical reinforcement learning, where distributional learning targets are implicitly based on the total information gathered by an ensemble. We empirically show that this may lead to much more robust initial learning, a stronger individual performance level, and good efficiency on a per-sample basis.

Generating samples from limited information is a fundamental problem across scientific domains. Classical maximum entropy methods provide principled uncertainty quantification from moment constraints but require sampling via MCMC or Langevin dynamics, which typically exhibit exponential slowdown in high dimensions. In contrast, generative models based on diffusion and flow matching efficiently transport noise to data but offer limited theoretical guarantees and can overfit when data is scarce. We introduce Moment Guided Diffusion (MGD), which combines elements of both approaches. Building on the stochastic interpolant framework, MGD samples maximum entropy distributions by solving a stochastic differential equation that guides moments toward prescribed values in finite time, thereby avoiding slow mixing in equilibrium-based methods. We formally obtain, in the large-volatility limit, convergence of MGD to the maximum entropy distribution and derive a tractable estimator of the resulting entropy computed directly from the dynamics. Applications to financial time series, turbulent flows, and cosmological fields using wavelet scattering moments yield estimates of negentropy for high-dimensional multiscale processes.

Masked language models (MLM) do not explicitly define a distribution over language, i.e., they are not language models per se. However, recent work has implicitly treated them as such for the purposes of generation and scoring. This paper studies methods for deriving explicit joint distributions from MLMs, focusing on distributions over two tokens, which makes it possible to calculate exact distributional properties. We find that an approach based on identifying joints whose conditionals are closest to those of the MLM works well and outperforms existing Markov random field-based approaches. We further find that this derived model's conditionals can even occasionally outperform the original MLM's conditionals.

Continuous-valued Autoregressive (AR) image generation models have demonstrated notable superiority over their discrete-token counterparts, showcasing considerable reconstruction quality and higher generation fidelity. However, the computational demands of the autoregressive framework result in significant inference overhead. While speculative decoding has proven effective in accelerating Large Language Models (LLMs), their adaptation to continuous-valued visual autoregressive models remains unexplored. This work generalizes the speculative decoding algorithm from discrete tokens to continuous space. By analyzing the intrinsic properties of output distribution, we establish a tailored acceptance criterion for the diffusion distributions prevalent in such models. To overcome the inconsistency that occurred in speculative decoding output distributions, we introduce denoising trajectory alignment and token pre-filling methods. Additionally, we identify the hard-to-sample distribution in the rejection phase. To mitigate this issue, we propose a meticulous acceptance-rejection sampling method with a proper upper bound, thereby circumventing complex integration. Experimental results show that our continuous speculative decoding achieves a remarkable 2.33times speed-up on off-the-shelf models while maintaining the output distribution. Codes will be available at https://github.com/MarkXCloud/CSpD

Diffusion models are powerful generative models that allow for precise control over the characteristics of the generated samples. While these diffusion models trained on large datasets have achieved success, there is often a need to introduce additional controls in downstream fine-tuning processes, treating these powerful models as pre-trained diffusion models. This work presents a novel method based on reinforcement learning (RL) to add such controls using an offline dataset comprising inputs and labels. We formulate this task as an RL problem, with the classifier learned from the offline dataset and the KL divergence against pre-trained models serving as the reward functions. Our method, CTRL (Conditioning pre-Trained diffusion models with Reinforcement Learning), produces soft-optimal policies that maximize the abovementioned reward functions. We formally demonstrate that our method enables sampling from the conditional distribution with additional controls during inference. Our RL-based approach offers several advantages over existing methods. Compared to classifier-free guidance, it improves sample efficiency and can greatly simplify dataset construction by leveraging conditional independence between the inputs and additional controls. Additionally, unlike classifier guidance, it eliminates the need to train classifiers from intermediate states to additional controls. The code is available at https://github.com/zhaoyl18/CTRL.

Sampling from diffusion models involves a slow iterative process that hinders their practical deployment, especially for interactive applications. To accelerate generation speed, recent approaches distill a multi-step diffusion model into a single-step student generator via variational score distillation, which matches the distribution of samples generated by the student to the teacher's distribution. However, these approaches use the reverse Kullback-Leibler (KL) divergence for distribution matching which is known to be mode seeking. In this paper, we generalize the distribution matching approach using a novel f-divergence minimization framework, termed f-distill, that covers different divergences with different trade-offs in terms of mode coverage and training variance. We derive the gradient of the f-divergence between the teacher and student distributions and show that it is expressed as the product of their score differences and a weighting function determined by their density ratio. This weighting function naturally emphasizes samples with higher density in the teacher distribution, when using a less mode-seeking divergence. We observe that the popular variational score distillation approach using the reverse-KL divergence is a special case within our framework. Empirically, we demonstrate that alternative f-divergences, such as forward-KL and Jensen-Shannon divergences, outperform the current best variational score distillation methods across image generation tasks. In particular, when using Jensen-Shannon divergence, f-distill achieves current state-of-the-art one-step generation performance on ImageNet64 and zero-shot text-to-image generation on MS-COCO. Project page: https://research.nvidia.com/labs/genair/f-distill

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.

We propose two approaches to extend the notion of knowledge distillation to Gaussian Process Regression (GPR) and Gaussian Process Classification (GPC); data-centric and distribution-centric. The data-centric approach resembles most current distillation techniques for machine learning, and refits a model on deterministic predictions from the teacher, while the distribution-centric approach, re-uses the full probabilistic posterior for the next iteration. By analyzing the properties of these approaches, we show that the data-centric approach for GPR closely relates to known results for self-distillation of kernel ridge regression and that the distribution-centric approach for GPR corresponds to ordinary GPR with a very particular choice of hyperparameters. Furthermore, we demonstrate that the distribution-centric approach for GPC approximately corresponds to data duplication and a particular scaling of the covariance and that the data-centric approach for GPC requires redefining the model from a Binomial likelihood to a continuous Bernoulli likelihood to be well-specified. To the best of our knowledge, our proposed approaches are the first to formulate knowledge distillation specifically for Gaussian Process models.

We present SwD, a scale-wise distillation framework for diffusion models (DMs), which effectively employs next-scale prediction ideas for diffusion-based few-step generators. In more detail, SwD is inspired by the recent insights relating diffusion processes to the implicit spectral autoregression. We suppose that DMs can initiate generation at lower data resolutions and gradually upscale the samples at each denoising step without loss in performance while significantly reducing computational costs. SwD naturally integrates this idea into existing diffusion distillation methods based on distribution matching. Also, we enrich the family of distribution matching approaches by introducing a novel patch loss enforcing finer-grained similarity to the target distribution. When applied to state-of-the-art text-to-image diffusion models, SwD approaches the inference times of two full resolution steps and significantly outperforms the counterparts under the same computation budget, as evidenced by automated metrics and human preference studies.

Diffusion-based generative models (DBGMs) perturb data to a target noise distribution and reverse this process to generate samples. The choice of noising process, or inference diffusion process, affects both likelihoods and sample quality. For example, extending the inference process with auxiliary variables leads to improved sample quality. While there are many such multivariate diffusions to explore, each new one requires significant model-specific analysis, hindering rapid prototyping and evaluation. In this work, we study Multivariate Diffusion Models (MDMs). For any number of auxiliary variables, we provide a recipe for maximizing a lower-bound on the MDMs likelihood without requiring any model-specific analysis. We then demonstrate how to parameterize the diffusion for a specified target noise distribution; these two points together enable optimizing the inference diffusion process. Optimizing the diffusion expands easy experimentation from just a few well-known processes to an automatic search over all linear diffusions. To demonstrate these ideas, we introduce two new specific diffusions as well as learn a diffusion process on the MNIST, CIFAR10, and ImageNet32 datasets. We show learned MDMs match or surpass bits-per-dims (BPDs) relative to fixed choices of diffusions for a given dataset and model architecture.

This paper studies distributional model risk in marginal problems, where each marginal measure is assumed to lie in a Wasserstein ball centered at a fixed reference measure with a given radius. Theoretically, we establish several fundamental results including strong duality, finiteness of the proposed Wasserstein distributional model risk, and the existence of an optimizer at each radius. In addition, we show continuity of the Wasserstein distributional model risk as a function of the radius. Using strong duality, we extend the well-known Makarov bounds for the distribution function of the sum of two random variables with given marginals to Wasserstein distributionally robust Markarov bounds. Practically, we illustrate our results on four distinct applications when the sample information comes from multiple data sources and only some marginal reference measures are identified. They are: partial identification of treatment effects; externally valid treatment choice via robust welfare functions; Wasserstein distributionally robust estimation under data combination; and evaluation of the worst aggregate risk measures.

Distribution inference, sometimes called property inference, infers statistical properties about a training set from access to a model trained on that data. Distribution inference attacks can pose serious risks when models are trained on private data, but are difficult to distinguish from the intrinsic purpose of statistical machine learning -- namely, to produce models that capture statistical properties about a distribution. Motivated by Yeom et al.'s membership inference framework, we propose a formal definition of distribution inference attacks that is general enough to describe a broad class of attacks distinguishing between possible training distributions. We show how our definition captures previous ratio-based property inference attacks as well as new kinds of attack including revealing the average node degree or clustering coefficient of a training graph. To understand distribution inference risks, we introduce a metric that quantifies observed leakage by relating it to the leakage that would occur if samples from the training distribution were provided directly to the adversary. We report on a series of experiments across a range of different distributions using both novel black-box attacks and improved versions of the state-of-the-art white-box attacks. Our results show that inexpensive attacks are often as effective as expensive meta-classifier attacks, and that there are surprising asymmetries in the effectiveness of attacks. Code is available at https://github.com/iamgroot42/FormEstDistRisks

Step distillation has become a leading technique for accelerating diffusion models, among which Distribution Matching Distillation (DMD) and Consistency Distillation are two representative paradigms. While consistency methods enforce self-consistency along the full PF-ODE trajectory to steer it toward the clean data manifold, vanilla DMD relies on sparse supervision at a few predefined discrete timesteps. This restricted discrete-time formulation and mode-seeking nature of the reverse KL divergence tends to exhibit visual artifacts and over-smoothed outputs, often necessitating complex auxiliary modules -- such as GANs or reward models -- to restore visual fidelity. In this work, we introduce Continuous-Time Distribution Matching (CDM), migrating the DMD framework from discrete anchoring to continuous optimization for the first time. CDM achieves this through two continuous-time designs. First, we replace the fixed discrete schedule with a dynamic continuous schedule of random length, so that distribution matching is enforced at arbitrary points along sampling trajectories rather than only at a few fixed anchors. Second, we propose a continuous-time alignment objective that performs active off-trajectory matching on latents extrapolated via the student's velocity field, improving generalization and preserving fine visual details. Extensive experiments on different architectures, including SD3-Medium and Longcat-Image, demonstrate that CDM provides highly competitive visual fidelity for few-step image generation without relying on complex auxiliary objectives. Code is available at https://github.com/byliutao/cdm.

Inference-time controllable generation is essential for real-world applications of unconditional diffusion models. However, most existing techniques focus on individual samples, struggling in applications that require the sample population to follow specific attribute distributions (e.g., demographic balance or semantic proportions). We formalize this setting as the inference-time attribute distributional alignment problem for pretrained unconditional diffusion models. To address this, we cast inference-time attribute distributional alignment as an optimal control problem over the reverse diffusion process, viewing the process as the rollout of a dynamical system and augmenting it with additive, time-dependent perturbations as control. We solve for the perturbations using an optimal-control-based algorithm to optimize a differentiable distribution-matching objective while penalizing control effort to preserve data fidelity. Experiment results in image generation demonstrate that our proposed plug-and-play approach can better align attribute distributions to diverse and flexible test-time targets compared to baselines, without retraining or finetuning the pretrained diffusion model.

While Bayesian inference provides a principled framework for reasoning under uncertainty, its widespread adoption is limited by the intractability of exact posterior computation, necessitating the use of approximate inference. However, existing methods are often computationally expensive, or demand costly retraining when priors change, limiting their utility, particularly in sequential inference problems such as real-time sensor fusion. To address these challenges, we introduce the Distribution Transformer -- a novel architecture that can learn arbitrary distribution-to-distribution mappings. Our method can be trained to map a prior to the corresponding posterior, conditioned on some dataset -- thus performing approximate Bayesian inference. Our novel architecture represents a prior distribution as a (universally-approximating) Gaussian Mixture Model (GMM), and transforms it into a GMM representation of the posterior. The components of the GMM attend to each other via self-attention, and to the datapoints via cross-attention. We demonstrate that Distribution Transformers both maintain flexibility to vary the prior, and significantly reduces computation times-from minutes to milliseconds-while achieving log-likelihood performance on par with or superior to existing approximate inference methods across tasks such as sequential inference, quantum system parameter inference, and Gaussian Process predictive posterior inference with hyperpriors.

Conventional reinforcement learning strategies for visual generation typically employ sample-wise reward functions, yet this practice frequently results in reward hacking that degrades image diversity and introduces visual anomalies. To address these limitations, we present a novel framework that finetunes generative models using distribution-wise rewards, ensuring better alignment with real-world data distributions. Unlike rewards that evaluate samples individually, distribution-wise reward accounts for the data distribution of the samples, mitigating the mode collapse problem that occurs when all samples optimize towards the same direction independently. To overcome the prohibitive computational cost of estimating these rewards, we introduce a subset-replace strategy that efficiently provides reward signals by updating only a small subset of a generated reference set. Additionally, we apply RL to optimize post-hoc model merging coefficients, potentially mitigating the train-inference inconsistency caused by introducing stochastic differential equation (SDE) in regular RL practices. Extensive experiments show our approach significantly improves FID-50K across various base models, from 8.30 to 5.77 for SiT and from 3.74 to 3.52 for EDM2. Qualitative evaluation also confirms that our method enhances perceptual quality while preserving sample diversity.

While plan-and-infill decoding in Masked Diffusion Models (MDMs) shows promise for mathematical and code reasoning, performance remains highly sensitive to slot infilling order, often yielding substantial output variance. We introduce McDiffuSE, a framework that formulates slot selection as decision making and optimises infilling orders through Monte Carlo Tree Search (MCTS). McDiffuSE uses look-ahead simulations to evaluate partial completions before commitment, systematically exploring the combinatorial space of generation orders. Experiments show an average improvement of 3.2% over autoregressive baselines and 8.0% over baseline plan-and-infill, with notable gains of 19.5% on MBPP and 4.9% on MATH500. Our analysis reveals that while McDiffuSE predominantly follows sequential ordering, incorporating non-sequential generation is essential for maximising performance. We observe that larger exploration constants, rather than increased simulations, are necessary to overcome model confidence biases and discover effective orderings. These findings establish MCTS-based planning as an effective approach for enhancing generation quality in MDMs.

Collections of probability distributions arise in a variety of applications ranging from user activity pattern analysis to brain connectomics. In practice these distributions can be defined over diverse domain types including finite intervals, circles, cylinders, spheres, other manifolds, and graphs. This paper introduces an approach for detecting differences between two collections of distributions over such general domains. To this end, we propose the intrinsic slicing construction that yields a novel class of Wasserstein distances on manifolds and graphs. These distances are Hilbert embeddable, allowing us to reduce the distribution collection comparison problem to a more familiar mean testing problem in a Hilbert space. We provide two testing procedures one based on resampling and another on combining p-values from coordinate-wise tests. Our experiments in various synthetic and real data settings show that the resulting tests are powerful and the p-values are well-calibrated.

Few-step distillation for video diffusion models has attracted significant attention, driven by the urgent demand for efficient deployment in real-world scenarios. However, Distribution Matching Distillation (DMD), a leading paradigm, tends to degrade under limited NFE budgets, manifesting in video generation as layout instability, oversaturation, and broken motion dynamics. We trace this failure to a structural limitation: standard DMD is an intra-sample distribution-matching objective with coordinate-wise gradients, and thus imposes no explicit constraint on the relational geometry across batch elements or temporal frames, leaving the underlying copula largely unregulated. Combined with the mode-seeking tendency of its reverse-KL objective, this absence of relational guidance makes DMD prone to collapsing into local optima in the few-step regime. Motivated by this insight, we propose Copula-aware DMD (CoDMD), a lightweight relational regularizer that reuses score estimates already produced by the frozen teacher and the online fake model to construct pairwise relation matrices across samples and frames. These are matched through a supplementary distributional objective that requires no additional networks, datasets, or sampling trajectories. On the Wan-2.1-T2V model series at 1.3B & 14B scales, CoDMD distills 50-step teachers into 4-step students, achieving an approximate 25times speed-up while attaining VBench scores of 84.46 & 84.87, outperforming prior trajectory-based (rCM 82.81 & 84.05) and distribution-based (DMD 83.38 & 83.81) methods.

We propose a novel approach to scaling LLM inference for code generation. We frame code generation as a black box optimization problem within the code space, and employ optimization-inspired techniques to enhance exploration. Specifically, we introduce Scattered Forest Search to enhance solution diversity while searching for solutions. Our theoretical analysis illustrates how these methods avoid local optima during optimization. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance improvements. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our method scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

Combining several (sample approximations of) distributions, which we term sub-posteriors, into a single distribution proportional to their product, is a common challenge. Occurring, for instance, in distributed 'big data' problems, or when working under multi-party privacy constraints. Many existing approaches resort to approximating the individual sub-posteriors for practical necessity, then find either an analytical approximation or sample approximation of the resulting (product-pooled) posterior. The quality of the posterior approximation for these approaches is poor when the sub-posteriors fall out-with a narrow range of distributional form, such as being approximately Gaussian. Recently, a Fusion approach has been proposed which finds an exact Monte Carlo approximation of the posterior, circumventing the drawbacks of approximate approaches. Unfortunately, existing Fusion approaches have a number of computational limitations, particularly when unifying a large number of sub-posteriors. In this paper, we generalise the theory underpinning existing Fusion approaches, and embed the resulting methodology within a recursive divide-and-conquer sequential Monte Carlo paradigm. This ultimately leads to a competitive Fusion approach, which is robust to increasing numbers of sub-posteriors.

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.

Reinforcement learning is crucial for aligning large language models to perform complex reasoning tasks. However, current algorithms such as Group Relative Policy Optimization suffer from coarse grained, sequence level credit assignment, which severely struggles to isolate pivotal reasoning steps within long Chain of Thought generations. Furthermore, the standard unbounded Kullback Leibler divergence penalty induces severe gradient instability and mode seeking conservatism, ultimately stifling the discovery of novel reasoning trajectories. To overcome these limitations, we introduce Distribution Guided Policy Optimization, a novel critic free reinforcement learning framework that reinterprets distribution deviation as a guiding signal rather than a rigid penalty. DGPO replaces the volatile KL divergence with the bounded Hellinger distance to safely quantify token level exploration without the risk of gradient explosion. To effectively distinguish genuine reasoning breakthroughs from hallucinatory noise, we propose an entropy gating mechanism that scales this deviation by the policy`s epistemic uncertainty. By dynamically redistributing the coarse sequence-level advantage to individual tokens based on these gated scores, DGPO heavily incentivizes critical exploratory steps while suppressing unwarranted, low-entropy deviations. Consequently, DGPO completely eliminates the traditional token-level KL penalty and achieves fine-grained credit reallocation without the computational overhead of an additional value network. Extensive empirical evaluations demonstrate that DGPO sets a new state-of-the-art for critic free alignment. Notably, on the Qwen2.5-32B architecture, DGPO achieves 60.0% Avg@32 accuracy and 46.0% Avg@32 accuracy on the challenging AIME2024 and AIME2025 benchmarks respectively, substantially outperforming competitive baselines like DAPO.

Accelerating the sampling speed of diffusion models remains a significant challenge. Recent score distillation methods distill a heavy teacher model into an one-step student generator, which is optimized by calculating the difference between the two score functions on the samples generated by the student model. However, there is a score mismatch issue in the early stage of the distillation process, because existing methods mainly focus on using the endpoint of pre-trained diffusion models as teacher models, overlooking the importance of the convergence trajectory between the student generator and the teacher model. To address this issue, we extend the score distillation process by introducing the entire convergence trajectory of teacher models and propose Distribution Backtracking Distillation (DisBack) for distilling student generators. DisBask is composed of two stages: Degradation Recording and Distribution Backtracking. Degradation Recording is designed to obtain the convergence trajectory of teacher models, which records the degradation path from the trained teacher model to the untrained initial student generator. The degradation path implicitly represents the intermediate distributions of teacher models. Then Distribution Backtracking trains a student generator to backtrack the intermediate distributions for approximating the convergence trajectory of teacher models. Extensive experiments show that DisBack achieves faster and better convergence than the existing distillation method and accomplishes comparable generation performance. Notably, DisBack is easy to implement and can be generalized to existing distillation methods to boost performance. Our code is publicly available on https://github.com/SYZhang0805/DisBack.

Despite diffusion models' superior capabilities in modeling complex distributions, there are still non-trivial distributional discrepancies between generated and ground-truth images, which has resulted in several notable problems in image generation, including missing object errors in text-to-image generation and low image quality. Existing methods that attempt to address these problems mostly do not tend to address the fundamental cause behind these problems, which is the distributional discrepancies, and hence achieve sub-optimal results. In this paper, we propose a particle filtering framework that can effectively address both problems by explicitly reducing the distributional discrepancies. Specifically, our method relies on a set of external guidance, including a small set of real images and a pre-trained object detector, to gauge the distribution gap, and then design the resampling weight accordingly to correct the gap. Experiments show that our methods can effectively correct missing object errors and improve image quality in various image generation tasks. Notably, our method outperforms the existing strongest baseline by 5% in object occurrence and 1.0 in FID on MS-COCO. Our code is publicly available at https://github.com/UCSB-NLP-Chang/diffusion_resampling.git.

This paper proposes a two-time scale neurodynamic duplex approach to solve distributionally robust geometric joint chance-constrained optimization problems. The probability distributions of the row vectors are not known in advance and belong to a certain distributional uncertainty set. In our paper, we study three uncertainty sets for the unknown distributions. The neurodynamic duplex is designed based on three projection equations. The main contribution of our work is to propose a neural network-based method to solve distributionally robust joint chance-constrained optimization problems that converges in probability to the global optimum without the use of standard state-of-the-art solving methods. We show that neural networks can be used to solve multiple instances of a problem. In the numerical experiments, we apply the proposed approach to solve a problem of shape optimisation and a telecommunication problem.

We present a modular semantic account of Bayesian inference algorithms for probabilistic programming languages, as used in data science and machine learning. Sophisticated inference algorithms are often explained in terms of composition of smaller parts. However, neither their theoretical justification nor their implementation reflects this modularity. We show how to conceptualise and analyse such inference algorithms as manipulating intermediate representations of probabilistic programs using higher-order functions and inductive types, and their denotational semantics. Semantic accounts of continuous distributions use measurable spaces. However, our use of higher-order functions presents a substantial technical difficulty: it is impossible to define a measurable space structure over the collection of measurable functions between arbitrary measurable spaces that is compatible with standard operations on those functions, such as function application. We overcome this difficulty using quasi-Borel spaces, a recently proposed mathematical structure that supports both function spaces and continuous distributions. We define a class of semantic structures for representing probabilistic programs, and semantic validity criteria for transformations of these representations in terms of distribution preservation. We develop a collection of building blocks for composing representations. We use these building blocks to validate common inference algorithms such as Sequential Monte Carlo and Markov Chain Monte Carlo. To emphasize the connection between the semantic manipulation and its traditional measure theoretic origins, we use Kock's synthetic measure theory. We demonstrate its usefulness by proving a quasi-Borel counterpart to the Metropolis-Hastings-Green theorem.

We propose a novel framework for incorporating unlabeled data into semi-supervised classification problems, where scenarios involving the minimization of either i) adversarially robust or ii) non-robust loss functions have been considered. Notably, we allow the unlabeled samples to deviate slightly (in total variation sense) from the in-domain distribution. The core idea behind our framework is to combine Distributionally Robust Optimization (DRO) with self-supervised training. As a result, we also leverage efficient polynomial-time algorithms for the training stage. From a theoretical standpoint, we apply our framework on the classification problem of a mixture of two Gaussians in R^d, where in addition to the m independent and labeled samples from the true distribution, a set of n (usually with ngg m) out of domain and unlabeled samples are given as well. Using only the labeled data, it is known that the generalization error can be bounded by proptoleft(d/mright)^{1/2}. However, using our method on both isotropic and non-isotropic Gaussian mixture models, one can derive a new set of analytically explicit and non-asymptotic bounds which show substantial improvement on the generalization error compared to ERM. Our results underscore two significant insights: 1) out-of-domain samples, even when unlabeled, can be harnessed to narrow the generalization gap, provided that the true data distribution adheres to a form of the ``cluster assumption", and 2) the semi-supervised learning paradigm can be regarded as a special case of our framework when there are no distributional shifts. We validate our claims through experiments conducted on a variety of synthetic and real-world datasets.

Language models (LM) are capable of remarkably complex linguistic tasks; however, numerical reasoning is an area in which they frequently struggle. An important but rarely evaluated form of reasoning is understanding probability distributions. In this paper, we focus on evaluating the probabilistic reasoning capabilities of LMs using idealized and real-world statistical distributions. We perform a systematic evaluation of state-of-the-art LMs on three tasks: estimating percentiles, drawing samples, and calculating probabilities. We evaluate three ways to provide context to LMs 1) anchoring examples from within a distribution or family of distributions, 2) real-world context, 3) summary statistics on which to base a Normal approximation. Models can make inferences about distributions, and can be further aided by the incorporation of real-world context, example shots and simplified assumptions, even if these assumptions are incorrect or misspecified. To conduct this work, we developed a comprehensive benchmark distribution dataset with associated question-answer pairs that we will release publicly.

Diffusion model distillation has emerged as a powerful technique for creating efficient few-step and single-step generators. Among these, Distribution Matching Distillation (DMD) and its variants stand out for their impressive performance, which is widely attributed to their core mechanism of matching the student's output distribution to that of a pre-trained teacher model. In this work, we challenge this conventional understanding. Through a rigorous decomposition of the DMD training objective, we reveal that in complex tasks like text-to-image generation, where CFG is typically required for desirable few-step performance, the primary driver of few-step distillation is not distribution matching, but a previously overlooked component we identify as CFG Augmentation (CA). We demonstrate that this term acts as the core ``engine'' of distillation, while the Distribution Matching (DM) term functions as a ``regularizer'' that ensures training stability and mitigates artifacts. We further validate this decoupling by demonstrating that while the DM term is a highly effective regularizer, it is not unique; simpler non-parametric constraints or GAN-based objectives can serve the same stabilizing function, albeit with different trade-offs. This decoupling of labor motivates a more principled analysis of the properties of both terms, leading to a more systematic and in-depth understanding. This new understanding further enables us to propose principled modifications to the distillation process, such as decoupling the noise schedules for the engine and the regularizer, leading to further performance gains. Notably, our method has been adopted by the Z-Image ( https://github.com/Tongyi-MAI/Z-Image ) project to develop a top-tier 8-step image generation model, empirically validating the generalization and robustness of our findings.

Inference-Time Scaling (ITS) has largely succeeded in verifiable domains like math and coding, where cheap verification enables scalable output selection. However, extending ITS to tasks prone to systematic failure - driven by faulty initial assumptions or unmet multidimensional constraints - typically relies on costly external solvers or brittle, model-based verifiers. Our key insight is that the intrinsic statistics of parallel sample sets, specifically length-adjusted tail entropy, provide a robust discriminative signal for solution quality without access to ground truth. Crucially, these statistics serve as a difficulty gate for adaptive compute allocation, dynamically routing problems across scaling regimes. First, Intrinsic Selection (iS) ranks candidates post-hoc, matching consensus-based algorithms across three domains and improving engineering design selection by 20% over pass@1 baselines. Second, Intrinsic Particle Filtering (iPF) generalizes this to step-level resampling, guiding generation toward high-confidence reasoning trajectories to improve pass@1 by 6.1 points on average on hard math problems. Finally, Particle Distillation (dPF) injects privileged guidance via early logit blending and KL-guided resampling, steering generation past systematic reasoning errors to satisfy expert rubrics, yielding up to 26.5% gains on complex clinical responses. Our pipeline applies seamlessly across broad-purpose, domain-specialized, and multimodal architectures, successfully extending ITS to open-ended domains without requiring trained reward models or exact ground-truth verification.