作者Wenjie Wang, Yuanyuan Wang, Zixiang Jiang, Shaoan Xie, Mingming Gong
Physical parameter estimation from video aims to recover the parameters of a known family of governing dynamical equations from pixel observations. Existing identifiability theory for this setting has focused on linear time-invariant (LTI) second-order systems, leaving open what can be identified for nonlinear scalar dynamics. We develop an identifiability theory for nonlinear scalar second-order ODEs, organized by how their velocity dependence interacts with changes of the learned state coordinate. Under a shared non-collapsed state map and explicit same-state velocity-coverage conditions, we show that parameter identifiability depends on the ODE family: some parameters are uniquely identifiable, while in other families only invariant parameter combinations are identifiable or external physical calibration is required. For laws that are at most linear in velocity, compatibility forces affine coordinate alignment, yielding explicit parameter relations, invariants, and calibration conditions. This affine conclusion extends to broader finite velocity-feature families when coordinate curvature can be separated from the declared velocity dependence. For families admitting a squared-velocity term, nonlinear coordinate ambiguity can remain; a law-derived normalization instead enables affine comparison between canonical laws. Experiments on synthetic systems and real pendulum and free-fall videos support the predicted parameter relations, coverage effects, and calibration requirements.
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Physical parameter estimation from video aims to recover the parameters of a known family of governing dynamical equations from pixel observations. Existing identifiability theory for this setting has focused on linear time-invariant (LTI) second-order systems, leaving open what can be identified for nonlinear scalar dynamics. We develop an identifiability theory for nonlinear scalar second-order ODEs, organized by how their velocity dependence interacts with changes of the learned state coordinate. Under a shared non-collapsed state map and explicit same-state velocity-coverage conditions, we show that parameter identifiability depends on the ODE family: some parameters are uniquely identifiable, while in other families only invariant parameter combinations are identifiable or external physical calibration is required. For laws that are at most linear in velocity, compatibility forces affine coordinate alignment, yielding explicit parameter relations, invariants, and calibration conditions. This affine conclusion extends to broader finite velocity-feature families when coordinate curvature can be separated from the declared velocity dependence. For families admitting a squared-velocity term, nonlinear coordinate ambiguity can remain; a law-derived normalization instead enables affine comparison between canonical laws. Experiments on synthetic systems and real pendulum and free-fall videos support the predicted parameter relations, coverage effects, and calibration requirements.
作者Jingkai Huang, Yunfan Zhang, Will Ma, Weihua Zhou, Zhengyuan Zhou
Self-consistency samples many reasoning trajectories and aggregates their final answers, treating the LLM as a black box that returns one answer per trajectory. Yet the final answer of each trajectory is sampled from a softmax vector that is available from the model's log-probabilities. We refer to this as the grey-box setting in which each trajectory reveals this answer distribution rather than a single draw from it. We formulate efficient inference in this setting as sequential mode identification with distribution-valued observations: sample trajectories one at a time and stop as soon as the LLM's modal answer is identified at a prescribed confidence level. We characterize the asymptotic stopping rate of mode identification with distribution-valued observations exactly and show that it is never worse than the black-box rate. We then propose the ASC-D algorithm, a betting stopping rule that attains this asymptotic stopping rate. On MMLU-Redux, ASC-D uses $46.4$--$95.6%$ fewer trajectories than answer-only adaptive self-consistency baselines and achieves the highest fixed-budget correct-certification rate across three open-source models.
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Self-consistency samples many reasoning trajectories and aggregates their final answers, treating the LLM as a black box that returns one answer per trajectory. Yet the final answer of each trajectory is sampled from a softmax vector that is available from the model's log-probabilities. We refer to this as the grey-box setting in which each trajectory reveals this answer distribution rather than a single draw from it. We formulate efficient inference in this setting as sequential mode identification with distribution-valued observations: sample trajectories one at a time and stop as soon as the LLM's modal answer is identified at a prescribed confidence level. We characterize the asymptotic stopping rate of mode identification with distribution-valued observations exactly and show that it is never worse than the black-box rate. We then propose the ASC-D algorithm, a betting stopping rule that attains this asymptotic stopping rate. On MMLU-Redux, ASC-D uses $46.4$--$95.6%$ fewer trajectories than answer-only adaptive self-consistency baselines and achieves the highest fixed-budget correct-certification rate across three open-source models.
Multi-view learning seeks to learn more comprehensive representations by exploiting the complementarity and consistency across diverse modalities or views. However, existing multi-view fusion strategies treat intra- and inter-view fusion as independent stages, without simultaneously considering the evolution within views and the dependency across views. Such an asynchronous fusion paradigm inevitably constrains cross-view interactions due to conflicting view-specific structural inductive biases. As a result, information flow is prone to distortion and compression along intermediate pathways, confining the model to learn within a restricted solution space. To address this, we propose Synchronous Multi-view Neural Diffusion (SynMDiff), which conceptualizes the multi-view feature space as a unified dynamical system driven by a diffusion process. By modeling the diffusion flow across arbitrary dyadic feature interactions in a joint space, SynMDiff enables the concurrent and adaptive intra- and inter-view information fusion. While a direct implementation of this synchronized mechanism incurs prohibitive computational costs, we further introduce an energy-based topological sampling strategy and an Ego-Net style centralized training architecture, ensuring both efficiency and scalability during learning and inference. Due to its conceptual elegance and computational efficacy, evaluations on real-world datasets demonstrate that SynMDiff outperforms the baselines by a large margin.
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Multi-view learning seeks to learn more comprehensive representations by exploiting the complementarity and consistency across diverse modalities or views. However, existing multi-view fusion strategies treat intra- and inter-view fusion as independent stages, without simultaneously considering the evolution within views and the dependency across views. Such an asynchronous fusion paradigm inevitably constrains cross-view interactions due to conflicting view-specific structural inductive biases. As a result, information flow is prone to distortion and compression along intermediate pathways, confining the model to learn within a restricted solution space. To address this, we propose Synchronous Multi-view Neural Diffusion (SynMDiff), which conceptualizes the multi-view feature space as a unified dynamical system driven by a diffusion process. By modeling the diffusion flow across arbitrary dyadic feature interactions in a joint space, SynMDiff enables the concurrent and adaptive intra- and inter-view information fusion. While a direct implementation of this synchronized mechanism incurs prohibitive computational costs, we further introduce an energy-based topological sampling strategy and an Ego-Net style centralized training architecture, ensuring both efficiency and scalability during learning and inference. Due to its conceptual elegance and computational efficacy, evaluations on real-world datasets demonstrate that SynMDiff outperforms the baselines by a large margin.
作者Shirin Panahi, Amirhossein Nazerian, Ali Pezeshki
A deep classifier is defined not only by the decision it produces, but also by the sequence of transformations through which that decision is formed. Treating this evolution as a dynamical system across layers provides a natural framework for asking how decision geometry emerges through depth and how far back we can trace a boundary's dynamical signature. We model a feed-forward classifier as a finite, nonautonomous discrete dynamical system, with layers playing the role of discrete time steps. We study the Finite-Time Maximum Lyapunov Exponent (FTMLE) of the data samples' dynamical trajectory through depths of the classifier. The FTMLE measures the rate of convergence/divergence of nearby trajectories. We move the observation endpoint backward from probabilities to logits and then to hidden representations. For Gaussian classes, we prove that probability-level FTMLE carries a clear geometric signature of the decision boundary, with its dominant direction aligned with the boundary normal. Moving one step backward to the logits, we prove this relationship is no longer universal but depends critically on how the classifier is trained, particularly on the choice of loss function. Moving further backward to the hidden representation, the connection becomes more conditional: boundary-related FTMLE can persist, but only under identifiable structural conditions. We propose geometry-aware fine-tuning for restructuring the classifier's hidden FTMLE, and propose conditions for guaranteed concentration of high hidden FTMLE near the decision boundary. Through our numerical results, we show the generality and validity of our theoretical results. Understanding the evolution of data samples as traveling through the layers of classifier provides a principled foundation for identifying where boundary-relevant sensitivity emerges and for developing layer-aware regularization strategies.
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A deep classifier is defined not only by the decision it produces, but also by the sequence of transformations through which that decision is formed. Treating this evolution as a dynamical system across layers provides a natural framework for asking how decision geometry emerges through depth and how far back we can trace a boundary's dynamical signature. We model a feed-forward classifier as a finite, nonautonomous discrete dynamical system, with layers playing the role of discrete time steps. We study the Finite-Time Maximum Lyapunov Exponent (FTMLE) of the data samples' dynamical trajectory through depths of the classifier. The FTMLE measures the rate of convergence/divergence of nearby trajectories. We move the observation endpoint backward from probabilities to logits and then to hidden representations. For Gaussian classes, we prove that probability-level FTMLE carries a clear geometric signature of the decision boundary, with its dominant direction aligned with the boundary normal. Moving one step backward to the logits, we prove this relationship is no longer universal but depends critically on how the classifier is trained, particularly on the choice of loss function. Moving further backward to the hidden representation, the connection becomes more conditional: boundary-related FTMLE can persist, but only under identifiable structural conditions. We propose geometry-aware fine-tuning for restructuring the classifier's hidden FTMLE, and propose conditions for guaranteed concentration of high hidden FTMLE near the decision boundary. Through our numerical results, we show the generality and validity of our theoretical results. Understanding the evolution of data samples as traveling through the layers of classifier provides a principled foundation for identifying where boundary-relevant sensitivity emerges and for developing layer-aware regularization strategies.
Count data pose a challenge for score-matching-based causal discovery: derivatives are unavailable, and simply replacing them with finite differences does not generally suffice for causal discovery. We generalize SCORE's constant-curvature criterion (Rolland et al., 2022) by conditioning on the node's value, yielding the conditional curvature score (CCS) for ordering. We also extend curvature-based parent recovery through the off-diagonal curvature score (OCS), enabling directed acyclic graph (DAG) recovery with both scores constructed from score functions for continuous data and concrete scores for counts. In the bivariate setting, zero CCS exactly characterizes a semiparametric generalized linear model (GLM) conditional form in which the conditional family need not be specified in advance, unlike in classical GLMs. For bivariate semiparametric GLM DAGs under our regularity condition, canonical-parameter nonlinearity is necessary and sufficient for identifiability. In multivariate DAGs, this nonlinearity enables DAG recovery through CCS and OCS. Our framework identifies a new class of semiparametric GLM DAGs that strictly contains the nonlinear Gaussian ANM class identified by SCORE. We introduce DISCO (DIscrete SCOre), a count-DAG recovery algorithm that estimates CCS and OCS using discrete diffusion. Experiments demonstrate accurate DAG recovery across Poisson, negative binomial, binomial, and mixed-family settings, as well as scalability to 1,000-node DAGs on a single GPU.
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Count data pose a challenge for score-matching-based causal discovery: derivatives are unavailable, and simply replacing them with finite differences does not generally suffice for causal discovery. We generalize SCORE's constant-curvature criterion (Rolland et al., 2022) by conditioning on the node's value, yielding the conditional curvature score (CCS) for ordering. We also extend curvature-based parent recovery through the off-diagonal curvature score (OCS), enabling directed acyclic graph (DAG) recovery with both scores constructed from score functions for continuous data and concrete scores for counts. In the bivariate setting, zero CCS exactly characterizes a semiparametric generalized linear model (GLM) conditional form in which the conditional family need not be specified in advance, unlike in classical GLMs. For bivariate semiparametric GLM DAGs under our regularity condition, canonical-parameter nonlinearity is necessary and sufficient for identifiability. In multivariate DAGs, this nonlinearity enables DAG recovery through CCS and OCS. Our framework identifies a new class of semiparametric GLM DAGs that strictly contains the nonlinear Gaussian ANM class identified by SCORE. We introduce DISCO (DIscrete SCOre), a count-DAG recovery algorithm that estimates CCS and OCS using discrete diffusion. Experiments demonstrate accurate DAG recovery across Poisson, negative binomial, binomial, and mixed-family settings, as well as scalability to 1,000-node DAGs on a single GPU.
作者Kaoru Otsuka, Maxime Meyer, Yuki Takezawa, Makoto Yamada, Anastasia Koloskova
Asynchronous SGD is a popular algorithm for distributed learning where each client's gradient update is applied on arrival. This leads to a speed-up, but also an increased vulnerability to attacks, as fast clients can dominate the total update. We introduce Throttle, a Byzantine-robust generalization of asynchronous SGD where the key idea is to exponentially down-weight updates from faster clients by a factor $q$. Both asynchronous SGD ($q=1$) and synchronous Byzantine-robust SGD ($q\to\infty$) correspond to specific settings of Throttle. We provide a theoretical analysis of the convergence rate and validate the robustness to attacks both theoretically and empirically. Remarkably, our experiments show that this down-weighting mechanism can also improve performance over standard asynchronous SGD even in the non-Byzantine setting.
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Asynchronous SGD is a popular algorithm for distributed learning where each client's gradient update is applied on arrival. This leads to a speed-up, but also an increased vulnerability to attacks, as fast clients can dominate the total update. We introduce Throttle, a Byzantine-robust generalization of asynchronous SGD where the key idea is to exponentially down-weight updates from faster clients by a factor $q$. Both asynchronous SGD ($q=1$) and synchronous Byzantine-robust SGD ($q\to\infty$) correspond to specific settings of Throttle. We provide a theoretical analysis of the convergence rate and validate the robustness to attacks both theoretically and empirically. Remarkably, our experiments show that this down-weighting mechanism can also improve performance over standard asynchronous SGD even in the non-Byzantine setting.
作者Hans Olischläger, Svenja Jedhoff, Šimon Kucharský, Aayush Mishra, Stefan T. Radev, Paul Bürkner
Casting Bayesian inference as a neural network optimization problem targeting an amortized posterior is attractive, as it extends to otherwise intractable statistical models and offers near instantaneous inference for new datasets after prepaying the training cost. Although theory guarantees faithfulness under ideal convergence, practical amortized inference still requires iterating over architectures and optimization choices and ultimately ``satisficing'' under finite simulation, compute, and time budgets. Even the best-performing solution may thus retain avoidable representation gaps that typically require problem-specific fixes. Here, we propose a generic alternative which improves training dynamics with auxiliary guidance losses applied to internal representations. Specifically, we show how such guidance leads to faster convergence when training data is abundant and to better performance when it is scarce. We formalize representation gaps as getting stuck in a local optimum at the information bottleneck between the parts of the network tasked with feature learning and those tasked with conditional distribution learning, and offer a generic diagnostic to separate summary failures from inference failures. Finally, we demonstrate that auxiliary supervision improves convergence speed and accuracy on a range of challenging real-world inference problems.
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Casting Bayesian inference as a neural network optimization problem targeting an amortized posterior is attractive, as it extends to otherwise intractable statistical models and offers near instantaneous inference for new datasets after prepaying the training cost. Although theory guarantees faithfulness under ideal convergence, practical amortized inference still requires iterating over architectures and optimization choices and ultimately ``satisficing'' under finite simulation, compute, and time budgets. Even the best-performing solution may thus retain avoidable representation gaps that typically require problem-specific fixes. Here, we propose a generic alternative which improves training dynamics with auxiliary guidance losses applied to internal representations. Specifically, we show how such guidance leads to faster convergence when training data is abundant and to better performance when it is scarce. We formalize representation gaps as getting stuck in a local optimum at the information bottleneck between the parts of the network tasked with feature learning and those tasked with conditional distribution learning, and offer a generic diagnostic to separate summary failures from inference failures. Finally, we demonstrate that auxiliary supervision improves convergence speed and accuracy on a range of challenging real-world inference problems.
Pretrained tabular generators can reproduce training records even when aggregate utility remains high. When retraining is unavailable or too costly, sampling and release are the remaining intervention points. We present PEG-Tab (Post-Training Energy Guidance for Tabular Synthesis), a post-training repair and release-control framework for frozen tabular generators. For each generated row, a generator-native operator creates two alternatives. A shared calibrated score compares the three candidates, favours lower-risk records, and applies a final release check. We instantiate this interface for GReaT, CTGAN, TVAE, and TabDDPM without updating their parameters. Across five datasets and four generator families, PEG-Tab reduces mean Near Copy from $0.078$ to $0.027$ and lowers aggregate Exact Copy to zero. Relative to a $3\times$ post hoc filter, it retains higher utility in 12 of 16 transfer settings and Pareto-dominates the filter in eight. Gains are concentrated in copy and proximity-related risks.
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Pretrained tabular generators can reproduce training records even when aggregate utility remains high. When retraining is unavailable or too costly, sampling and release are the remaining intervention points. We present PEG-Tab (Post-Training Energy Guidance for Tabular Synthesis), a post-training repair and release-control framework for frozen tabular generators. For each generated row, a generator-native operator creates two alternatives. A shared calibrated score compares the three candidates, favours lower-risk records, and applies a final release check. We instantiate this interface for GReaT, CTGAN, TVAE, and TabDDPM without updating their parameters. Across five datasets and four generator families, PEG-Tab reduces mean Near Copy from $0.078$ to $0.027$ and lowers aggregate Exact Copy to zero. Relative to a $3\times$ post hoc filter, it retains higher utility in 12 of 16 transfer settings and Pareto-dominates the filter in eight. Gains are concentrated in copy and proximity-related risks.
Graph generative models increasingly rely on Graph Transformers (GT) to capture complex dependencies among nodes and edges. While deeper architectures should provide greater expressive capacity and a broader receptive field, their effectiveness can decline with depth: repeated self-attention progressively contracts node representations, impeding information flow and gradient propagation. We analyse this phenomenon from a dynamical systems perspective, focusing on how the denoiser's spectral dynamics affect graph generation. We show that standard GT denoisers become increasingly dissipative as depth grows, leading to vanishing gradients and representation collapse. To isolate the effect of these dynamics, we construct a permutation-equivariant GT with inherently stable, non-dissipative transport. We also introduce a damping mechanism that continuously interpolates between non-dissipative and increasingly contractive regimes, enabling a direct assessment of how dissipation influences generation. Experiments on synthetic and molecular graph generation benchmarks show that the gap between these regimes widens with depth: non-dissipative dynamics preserve representation diversity and gradient flow, sustaining strong generative performance, whereas greater contraction progressively impairs it. These findings identify the denoiser's dynamical regime as a key design factor for deep graph generative models.
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Graph generative models increasingly rely on Graph Transformers (GT) to capture complex dependencies among nodes and edges. While deeper architectures should provide greater expressive capacity and a broader receptive field, their effectiveness can decline with depth: repeated self-attention progressively contracts node representations, impeding information flow and gradient propagation. We analyse this phenomenon from a dynamical systems perspective, focusing on how the denoiser's spectral dynamics affect graph generation. We show that standard GT denoisers become increasingly dissipative as depth grows, leading to vanishing gradients and representation collapse. To isolate the effect of these dynamics, we construct a permutation-equivariant GT with inherently stable, non-dissipative transport. We also introduce a damping mechanism that continuously interpolates between non-dissipative and increasingly contractive regimes, enabling a direct assessment of how dissipation influences generation. Experiments on synthetic and molecular graph generation benchmarks show that the gap between these regimes widens with depth: non-dissipative dynamics preserve representation diversity and gradient flow, sustaining strong generative performance, whereas greater contraction progressively impairs it. These findings identify the denoiser's dynamical regime as a key design factor for deep graph generative models.
作者Khoa Nguyen, Dung T. Nguyen, Thong Huynh, Hoang-Hiep Nguyen-Mau, Anh Nguyen, Minh Ngoc Dinh, Juho Kannala
Partial Optimal Transport (POT) extends the classical optimal transport problem by relaxing the strict mass conservation constraint, enabling its use in a wide range of real-world applications. In many of these settings, sparse transport plans are preferred for their interpretability and computational benefits. While smooth and strongly convex regularizers - such as quadratic or elastic net - have been vastly used in various machine learning applications to induce sparsity and accelerate computation, they have received less algorithmic attention compared to entropic approaches for computational POT. In this paper, we propose a new optimization framework that leverages these regularizers through a penalty-based reformulation, enabling efficient gradient-based updates while preserving the structure of the original problem. Our method accommodates a broad class of regularizers that promote structured and sparse transport plans. Building on this formulation, we design an accelerated first-order algorithm that alternates between smooth updates and simple projection steps. Through empirical benchmarks on color transfer, domain adaptation, and point cloud registration, our approach consistently outperforms established baselines - achieving lower transport cost, higher sparsity, and faster convergence - making it a practical and scalable solution for modern transport problems.
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Partial Optimal Transport (POT) extends the classical optimal transport problem by relaxing the strict mass conservation constraint, enabling its use in a wide range of real-world applications. In many of these settings, sparse transport plans are preferred for their interpretability and computational benefits. While smooth and strongly convex regularizers - such as quadratic or elastic net - have been vastly used in various machine learning applications to induce sparsity and accelerate computation, they have received less algorithmic attention compared to entropic approaches for computational POT. In this paper, we propose a new optimization framework that leverages these regularizers through a penalty-based reformulation, enabling efficient gradient-based updates while preserving the structure of the original problem. Our method accommodates a broad class of regularizers that promote structured and sparse transport plans. Building on this formulation, we design an accelerated first-order algorithm that alternates between smooth updates and simple projection steps. Through empirical benchmarks on color transfer, domain adaptation, and point cloud registration, our approach consistently outperforms established baselines - achieving lower transport cost, higher sparsity, and faster convergence - making it a practical and scalable solution for modern transport problems.
作者Cristina López Amado, Marco Fumero, Francesco Locatello
Diffusion models are typically viewed as stochastic processes that transform noise into data. We take a complementary perspective: a diffusion model defines a family of deterministic dynamical systems indexed by noise scale. At each fixed scale $σ$, we treat the denoiser as a self-map and study its dynamics. For an exact denoiser, fixed points correspond to critical points of the smoothed data density, while attractors correspond to its modes; as $σ$ increases, sample-level modes merge into progressively coarser ones. This suggests a geometric view of memorization: examples that receive excess probability mass due to duplication or overfitting, as well as outliers, should remain distinguishable under stronger smoothing than ordinary examples. We quantify this persistence by the critical scale $σ_c$, the largest noise scale at which an example is retained by the fixed-scale dynamics. In conditional models, the same construction extends naturally to image--caption pairs. Experiments in controlled settings and on large-scale models show that $σ_c$ tracks memorization arising from duplication, overfitting, and outliers, and identifies both memorized and partially memorized examples in Stable Diffusion. Moreover, $σ_c$ yields interpretable measures of the image spatial distribution and caption dependence of memorization.
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Diffusion models are typically viewed as stochastic processes that transform noise into data. We take a complementary perspective: a diffusion model defines a family of deterministic dynamical systems indexed by noise scale. At each fixed scale $σ$, we treat the denoiser as a self-map and study its dynamics. For an exact denoiser, fixed points correspond to critical points of the smoothed data density, while attractors correspond to its modes; as $σ$ increases, sample-level modes merge into progressively coarser ones. This suggests a geometric view of memorization: examples that receive excess probability mass due to duplication or overfitting, as well as outliers, should remain distinguishable under stronger smoothing than ordinary examples. We quantify this persistence by the critical scale $σ_c$, the largest noise scale at which an example is retained by the fixed-scale dynamics. In conditional models, the same construction extends naturally to image--caption pairs. Experiments in controlled settings and on large-scale models show that $σ_c$ tracks memorization arising from duplication, overfitting, and outliers, and identifies both memorized and partially memorized examples in Stable Diffusion. Moreover, $σ_c$ yields interpretable measures of the image spatial distribution and caption dependence of memorization.
作者Zhenxing Zhang, Jiayan Teng, Wenxu Wu, Zhuoyi Yang, Jiazheng Xu, Wendi Zheng, Jie Tang, Dan Guo, Meng Wang
On-policy distillation (OPD) has demonstrated two important capabilities in language models: compressing large teachers into smaller students and merging expert models into a single model. Existing diffusion OPD, however, mostly focus on the latter, with teachers and students sharing the same backbone and scale. We investigate large-to-small diffusion opd from large teachers to a small student and find that the standard recipe fails. To find the underlying cause, we propose Fixed-State KL, an effective and fair way to measure the distribution gap between student and teacher during OPD training for diffusion models. We are the first to clarify why large-to-small OPD is challenging for diffusion models: a smaller student struggles to perfectly match the distribution of a larger teacher, while classifier-free guidance can accumulate and amplify the distributional discrepancies between the student's conditional and unconditional branches and those of the teacher. To solve this problem, we propose GFD-OPD, a simple yet effective method that reduces the student-teacher gap while avoiding the error amplification of the CFG composition. Across numerous experiments, GFD outperforms previous baselines in both training efficiency and final performance, achieving state-of-the-art results on all benchmarks.
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On-policy distillation (OPD) has demonstrated two important capabilities in language models: compressing large teachers into smaller students and merging expert models into a single model. Existing diffusion OPD, however, mostly focus on the latter, with teachers and students sharing the same backbone and scale. We investigate large-to-small diffusion opd from large teachers to a small student and find that the standard recipe fails. To find the underlying cause, we propose Fixed-State KL, an effective and fair way to measure the distribution gap between student and teacher during OPD training for diffusion models. We are the first to clarify why large-to-small OPD is challenging for diffusion models: a smaller student struggles to perfectly match the distribution of a larger teacher, while classifier-free guidance can accumulate and amplify the distributional discrepancies between the student's conditional and unconditional branches and those of the teacher. To solve this problem, we propose GFD-OPD, a simple yet effective method that reduces the student-teacher gap while avoiding the error amplification of the CFG composition. Across numerous experiments, GFD outperforms previous baselines in both training efficiency and final performance, achieving state-of-the-art results on all benchmarks.
We consider simulation-based Bayesian inference (SBI) for the parameters of models with intractable likelihoods but tractable forward simulation. Building on Gaussian mixtures-of-experts surrogates, as a first contribution we develop a sequential procedure for posterior estimation in which progressively localized, data informed, conditional density approximations are used as proposal distributions. A final surrogate of the posterior distribution is then corrected using an importance sampling step that introduces a locally amortized likelihood-to-evidence ratio estimator. A second contribution is localized simulation-based calibration (SBC). Localized SBC probe calibration over neighborhoods that are deliberately broader than the available posterior, at low additional computational cost. Rather than repeatedly running the full inference procedure for each simulated pseudo-observation, localized SBC fits the local surrogate and ratio estimator only once for each local design, and reuses them across all pseudo-observations. This approach is particularly appealing for SBI applications. We evaluate both contributions on three case studies, including a real-data epidemiological application.
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We consider simulation-based Bayesian inference (SBI) for the parameters of models with intractable likelihoods but tractable forward simulation. Building on Gaussian mixtures-of-experts surrogates, as a first contribution we develop a sequential procedure for posterior estimation in which progressively localized, data informed, conditional density approximations are used as proposal distributions. A final surrogate of the posterior distribution is then corrected using an importance sampling step that introduces a locally amortized likelihood-to-evidence ratio estimator. A second contribution is localized simulation-based calibration (SBC). Localized SBC probe calibration over neighborhoods that are deliberately broader than the available posterior, at low additional computational cost. Rather than repeatedly running the full inference procedure for each simulated pseudo-observation, localized SBC fits the local surrogate and ratio estimator only once for each local design, and reuses them across all pseudo-observations. This approach is particularly appealing for SBI applications. We evaluate both contributions on three case studies, including a real-data epidemiological application.
In many statistical settings, the available data and maintained assumptions do not suffice to uniquely identify the model parameters of interest. In such cases, one can only identify sets which are guaranteed to contain the true parameters. These are often characterized through linear programs that optimize over models compatible with the observed data. These programs can be infinite-dimensional in the optimizer and the number of constraints. We provide a unified way to characterize and solve such optimization problems by phrasing them as optimal transport problems on path spaces. This allows us to regularize the problem with an entropy penalty, recasting it as a multi-marginal entropic optimal transport problem, which can be solved efficiently via Sinkhorn iterations. In addition, it allows us to establish convergence of the regularized value to the sharpest bound, derive consistency rates for a plug-in estimator, and obtain asymptotic distribution for approximate bounds. The method is general and accommodates settings ranging from instrumental variable models with continuous variables to welfare estimation in heterogeneous demand models. We verify the statistical and computational properties in simulations and provide an application to demand estimation.
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In many statistical settings, the available data and maintained assumptions do not suffice to uniquely identify the model parameters of interest. In such cases, one can only identify sets which are guaranteed to contain the true parameters. These are often characterized through linear programs that optimize over models compatible with the observed data. These programs can be infinite-dimensional in the optimizer and the number of constraints. We provide a unified way to characterize and solve such optimization problems by phrasing them as optimal transport problems on path spaces. This allows us to regularize the problem with an entropy penalty, recasting it as a multi-marginal entropic optimal transport problem, which can be solved efficiently via Sinkhorn iterations. In addition, it allows us to establish convergence of the regularized value to the sharpest bound, derive consistency rates for a plug-in estimator, and obtain asymptotic distribution for approximate bounds. The method is general and accommodates settings ranging from instrumental variable models with continuous variables to welfare estimation in heterogeneous demand models. We verify the statistical and computational properties in simulations and provide an application to demand estimation.
We study the problem of estimating the guidance that steers the distribution learned by a diffusion generative model toward a tilted target $q_0 \propto w\,p_0$ at inference time. Relying on the stochastic optimal control approach, we observe that the exact drift correction is the gradient of the logarithm of Doob's $h$-function, and we study the problem of estimating it from a sample. In the present paper, we assume that the score of the pretrained model is available, that the tilting weight is bounded and positive, and that the reference distribution has a bounded support, no smoothness of the weight is required. Introducing a penalized least-squares risk in which the penalty is the residual of the space-time harmonicity equation satisfied by the $h$-function, measured in a dual Sobolev norm, we derive high-probability bounds on the squared error of the resulting guidance estimate. Since the penalty vanishes at the target, the estimator is free of regularization bias, and in favourable scenarios its rate of convergence is faster than the minimax rate of estimating first-order derivatives of a smooth regression function. Assuming that $w$ is bounded and positive with $\mathbb{E}_{p_0}[w^{-\mathrm{s}}] < \infty$ for some $\mathrm{s} \in (0,\infty]$, and that the reference data are compactly supported, we prove that the guidance is estimable in squared $L^2$ at rate $\varepsilon_n^{\mathrm{s}/(\mathrm{s}+4)}$, where $\varepsilon_n = n^{-2(β-1)/(2(β-1)+d)}.$ We also transfer the obtained bounds to the total variation distance between the marginals of the estimated and the exactly guided samplers, and illustrate the performance of the suggested approach with numerical experiments.
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We study the problem of estimating the guidance that steers the distribution learned by a diffusion generative model toward a tilted target $q_0 \propto w\,p_0$ at inference time. Relying on the stochastic optimal control approach, we observe that the exact drift correction is the gradient of the logarithm of Doob's $h$-function, and we study the problem of estimating it from a sample. In the present paper, we assume that the score of the pretrained model is available, that the tilting weight is bounded and positive, and that the reference distribution has a bounded support, no smoothness of the weight is required. Introducing a penalized least-squares risk in which the penalty is the residual of the space-time harmonicity equation satisfied by the $h$-function, measured in a dual Sobolev norm, we derive high-probability bounds on the squared error of the resulting guidance estimate. Since the penalty vanishes at the target, the estimator is free of regularization bias, and in favourable scenarios its rate of convergence is faster than the minimax rate of estimating first-order derivatives of a smooth regression function. Assuming that $w$ is bounded and positive with $\mathbb{E}_{p_0}[w^{-\mathrm{s}}] < \infty$ for some $\mathrm{s} \in (0,\infty]$, and that the reference data are compactly supported, we prove that the guidance is estimable in squared $L^2$ at rate $\varepsilon_n^{\mathrm{s}/(\mathrm{s}+4)}$, where $\varepsilon_n = n^{-2(β-1)/(2(β-1)+d)}.$ We also transfer the obtained bounds to the total variation distance between the marginals of the estimated and the exactly guided samplers, and illustrate the performance of the suggested approach with numerical experiments.
This paper proposes MIND, a marginal-invariant neural dependency diffusion model for mixed-type tabular data. MIND does not directly learn the joint distribution in the original heterogeneous feature space. Instead, it first maps different variable types into a unified latent dependency space via column-wise marginal transport. A conditional diffusion model then learns cross-column relationships. Copula-tangent denoising separates known marginal components from learnable dependency residuals. Rank projection during the sampling phase further mitigates marginal shift in reverse diffusion. Experiments across nine diverse tabular benchmarks show that MIND consistently improves marginal fidelity and dependency preservation over existing unified approaches. By explicitly isolating marginal modelling from dependency learning, MIND achieves a strong and stable balance among marginal fidelity, joint dependency preservation, and downstream prediction utility. This work supports separating marginal and dependency modelling as a principled and highly effective paradigm for complex mixed-type tabular generation.
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This paper proposes MIND, a marginal-invariant neural dependency diffusion model for mixed-type tabular data. MIND does not directly learn the joint distribution in the original heterogeneous feature space. Instead, it first maps different variable types into a unified latent dependency space via column-wise marginal transport. A conditional diffusion model then learns cross-column relationships. Copula-tangent denoising separates known marginal components from learnable dependency residuals. Rank projection during the sampling phase further mitigates marginal shift in reverse diffusion. Experiments across nine diverse tabular benchmarks show that MIND consistently improves marginal fidelity and dependency preservation over existing unified approaches. By explicitly isolating marginal modelling from dependency learning, MIND achieves a strong and stable balance among marginal fidelity, joint dependency preservation, and downstream prediction utility. This work supports separating marginal and dependency modelling as a principled and highly effective paradigm for complex mixed-type tabular generation.
Physics-constrained generative models aim to generate physical fields that match a target distribution and satisfy prescribed constraints. However, enforcing these constraints often increases sampling costs through iterative corrections or training costs through residual optimization and trajectory unrolling. To address this issue, we introduce Preconditioned Manifold one-step Flow Matching (PMosFM), a preconditioned manifold matching framework for one-step physics-constrained generation. By encoding constraints in a manifold decoder, PMosFM learns transport in intrinsic coordinates without separate residual losses or terminal residual unrolling. A geometric preconditioner rescales coordinates using the decoder-induced metric, while a regularized covariance transform approximately whitens the interpolation-state inputs. A finite-interval objective couples velocity supervision with consistency between decoded endpoints in physical space. We show that exact parameterization removes residual-induced Gauss--Newton curvature, that geometric and covariance effects separate in a local conditioning bound, and that physical flow-map error bounds endpoint distributional error. Controlled ablations examine conditioning, and experiments evaluate optimizer-update time and memory footprint. At inference, PMosFM uses one neural transport evaluation followed by physical decoding. Experiments across benchmarks show lower training and sampling time than the multi-step baselines at comparable physical and distributional fidelity. Code and datasets will be released publicly.
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Physics-constrained generative models aim to generate physical fields that match a target distribution and satisfy prescribed constraints. However, enforcing these constraints often increases sampling costs through iterative corrections or training costs through residual optimization and trajectory unrolling. To address this issue, we introduce Preconditioned Manifold one-step Flow Matching (PMosFM), a preconditioned manifold matching framework for one-step physics-constrained generation. By encoding constraints in a manifold decoder, PMosFM learns transport in intrinsic coordinates without separate residual losses or terminal residual unrolling. A geometric preconditioner rescales coordinates using the decoder-induced metric, while a regularized covariance transform approximately whitens the interpolation-state inputs. A finite-interval objective couples velocity supervision with consistency between decoded endpoints in physical space. We show that exact parameterization removes residual-induced Gauss--Newton curvature, that geometric and covariance effects separate in a local conditioning bound, and that physical flow-map error bounds endpoint distributional error. Controlled ablations examine conditioning, and experiments evaluate optimizer-update time and memory footprint. At inference, PMosFM uses one neural transport evaluation followed by physical decoding. Experiments across benchmarks show lower training and sampling time than the multi-step baselines at comparable physical and distributional fidelity. Code and datasets will be released publicly.
作者Shixuan Liu, Joan Serrà, Kin Wai Cheuk, Jinju Kim, Woosung Choi, Yukara Ikemiya, Wei-Hsiang Liao, Jiaqi W. Ma, Yuki Mitsufuji
Training data attribution for diffusion models aims to identify the training samples that influence a generated instance, but existing methods either require costly per-sample gradient computation or query-specific model optimization. Moreover, most methods attribute changes in a proxy loss rather than changes in the actual model's generative behavior. We address these limitations by formulating attribution directly with a local score discrepancy measure, which applies to any diffusion variant (including DDPM, EDM, and flow matching), and by showing that such measure can be estimated without retraining, as a preconditioned gradient similarity. We instantiate this estimator as Training-data Influence via score Discrepancy (TID), which uses Kronecker-factored curvature to avoid random projections and per-sample gradient storage. We then distill TID into TIDE, a forward-only student trained online to reproduce the teacher's rankings from the diffusion model's internal activations. Under counterfactual evaluation on CIFAR-10, ArtBench-10, and MS-COCO, TID matches or outperforms state-of-the-art approaches, while TIDE retains most of TID's accuracy at four to five orders of magnitude lower per-query cost, attributing generated samples in milliseconds and faster than the generation itself.
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Training data attribution for diffusion models aims to identify the training samples that influence a generated instance, but existing methods either require costly per-sample gradient computation or query-specific model optimization. Moreover, most methods attribute changes in a proxy loss rather than changes in the actual model's generative behavior. We address these limitations by formulating attribution directly with a local score discrepancy measure, which applies to any diffusion variant (including DDPM, EDM, and flow matching), and by showing that such measure can be estimated without retraining, as a preconditioned gradient similarity. We instantiate this estimator as Training-data Influence via score Discrepancy (TID), which uses Kronecker-factored curvature to avoid random projections and per-sample gradient storage. We then distill TID into TIDE, a forward-only student trained online to reproduce the teacher's rankings from the diffusion model's internal activations. Under counterfactual evaluation on CIFAR-10, ArtBench-10, and MS-COCO, TID matches or outperforms state-of-the-art approaches, while TIDE retains most of TID's accuracy at four to five orders of magnitude lower per-query cost, attributing generated samples in milliseconds and faster than the generation itself.
Photospheric vector magnetic fields are foundational to modeling, understanding, and forecasting solar activity. These data are usually produced by inverting and disambiguating the full Stokes vector at multiple passbands, which is demanding. Here, we investigate how well we can estimate photospheric vector magnetograms from UV/EUV filtergrams. This problem is challenging and intrinsically ambiguous without polarization information, as the mapping from UV/EUV intensity to the magnetic field is indirect and ill-posed. We introduce MAGiDiff, a machine-learning-based method that uses denoising diffusion models to estimate vector magnetograms from UV/EUV filtergrams. As input, MAGiDiff takes a stack of filtergrams from the Solar Dynamics Observatory (SDO) / Atmospheric Imaging Assembly (AIA); as output, it is trained to estimate the disambiguated vector magnetogram as seen by Hinode / Solar Optical Telescope-Spectro-Polarimeter (SOT-SP). We show that MAGiDiff can accurately mimic the Hinode ground-truth. Additionally, we probe MAGiDiff's understanding of the physical structure and magnetic connectivity. On full-disk, we show that it produces plausible structures for active regions. MAGiDiff generalizes across solar cycles despite hemispheric polarity reversal, and can be fine-tuned to other EUV instruments including STEREO/EUVI and GOES-R/SUVI. While clearly not a substitute for a dedicated instrument, MAGiDiff opens the door to new capabilities.
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Photospheric vector magnetic fields are foundational to modeling, understanding, and forecasting solar activity. These data are usually produced by inverting and disambiguating the full Stokes vector at multiple passbands, which is demanding. Here, we investigate how well we can estimate photospheric vector magnetograms from UV/EUV filtergrams. This problem is challenging and intrinsically ambiguous without polarization information, as the mapping from UV/EUV intensity to the magnetic field is indirect and ill-posed. We introduce MAGiDiff, a machine-learning-based method that uses denoising diffusion models to estimate vector magnetograms from UV/EUV filtergrams. As input, MAGiDiff takes a stack of filtergrams from the Solar Dynamics Observatory (SDO) / Atmospheric Imaging Assembly (AIA); as output, it is trained to estimate the disambiguated vector magnetogram as seen by Hinode / Solar Optical Telescope-Spectro-Polarimeter (SOT-SP). We show that MAGiDiff can accurately mimic the Hinode ground-truth. Additionally, we probe MAGiDiff's understanding of the physical structure and magnetic connectivity. On full-disk, we show that it produces plausible structures for active regions. MAGiDiff generalizes across solar cycles despite hemispheric polarity reversal, and can be fine-tuned to other EUV instruments including STEREO/EUVI and GOES-R/SUVI. While clearly not a substitute for a dedicated instrument, MAGiDiff opens the door to new capabilities.
作者Mohamed Amine Ketata, Maximilian Schambach, Stephan Günnemann
Generative models for tabular data are typically trained separately for each dataset, limiting knowledge transfer and requiring the storage of many specialized models. In this paper, we introduce CDMD, a tabular diffusion model trained jointly across heterogeneous datasets with different schemas and variable numbers of numerical and categorical features. Unlike existing cross-dataset tabular diffusion models that operate in continuous representation spaces, CDMD defines diffusion directly over the mixed-type feature space and is trained end-to-end. To accommodate heterogeneous categorical domains, we introduce a schema-restricted reverse-process parameterization for masked diffusion models, in which the output space dynamically adapts to each feature's vocabulary. We then compose numerical and categorical feature-level diffusion processes into a schema-dependent row-level process. A shared schema-aware Transformer denoiser captures dependencies between features and parameterizes the reverse process across varying schemas. On seven real-world datasets, a single jointly trained CDMD achieves the highest average generation quality among strong single-dataset and cross-dataset baselines, while using substantially fewer total parameters than the collection of separately trained models. Furthermore, pre-training on a corpus of 337 datasets improves generation on previously unseen datasets under both limited target data and limited adaptation epochs. These results demonstrate the potential of direct mixed-type diffusion for shared and transferable tabular data generation. Our code is available at https://github.com/ketatam/cdmd.
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Generative models for tabular data are typically trained separately for each dataset, limiting knowledge transfer and requiring the storage of many specialized models. In this paper, we introduce CDMD, a tabular diffusion model trained jointly across heterogeneous datasets with different schemas and variable numbers of numerical and categorical features. Unlike existing cross-dataset tabular diffusion models that operate in continuous representation spaces, CDMD defines diffusion directly over the mixed-type feature space and is trained end-to-end. To accommodate heterogeneous categorical domains, we introduce a schema-restricted reverse-process parameterization for masked diffusion models, in which the output space dynamically adapts to each feature's vocabulary. We then compose numerical and categorical feature-level diffusion processes into a schema-dependent row-level process. A shared schema-aware Transformer denoiser captures dependencies between features and parameterizes the reverse process across varying schemas. On seven real-world datasets, a single jointly trained CDMD achieves the highest average generation quality among strong single-dataset and cross-dataset baselines, while using substantially fewer total parameters than the collection of separately trained models. Furthermore, pre-training on a corpus of 337 datasets improves generation on previously unseen datasets under both limited target data and limited adaptation epochs. These results demonstrate the potential of direct mixed-type diffusion for shared and transferable tabular data generation. Our code is available at https://github.com/ketatam/cdmd.
Adapting a pretrained generative model to an arbitrary preference expressed as a utility function underlies reward alignment, guided design, and constraint satisfaction, enabling diverse applications. Existing fine-tuning methods trade off generality against computational cost: they either restrict the family class of supported preferences to keep optimization simple or preserve generality at the expense of efficiency. We introduce Fenchel Tilt Flow Control (FTFC), which decouples utility optimization from generative-model fitting. FTFC first optimizes for a target distribution by jointly fitting an effective reward and density-ratio weights on pretrained samples. Method combines the utility's variational structure with Fenchel duality, supporting general $f$-divergence penalties that determine how rewards are transformed into an distribution-correction weights. These weights are then frozen and used to modify a diffusion or flow model in a single stage of importance-weighted denoising or flow matching, without differentiating through sampling trajectories. We establish exact duality for concave utilities under suitable conditions and show that weighted fitting reproduces the optimal target distribution for a given utility. Across image and molecule generation benchmarks, FTFC improves over baselines on diverse preference functions, while also being up to $20\times$ more efficient. roposed method enables adaptation beyond expected-reward maximization without complex optimization, while preserving robustness for more general class of the utility functions compared to baselines.
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Adapting a pretrained generative model to an arbitrary preference expressed as a utility function underlies reward alignment, guided design, and constraint satisfaction, enabling diverse applications. Existing fine-tuning methods trade off generality against computational cost: they either restrict the family class of supported preferences to keep optimization simple or preserve generality at the expense of efficiency. We introduce Fenchel Tilt Flow Control (FTFC), which decouples utility optimization from generative-model fitting. FTFC first optimizes for a target distribution by jointly fitting an effective reward and density-ratio weights on pretrained samples. Method combines the utility's variational structure with Fenchel duality, supporting general $f$-divergence penalties that determine how rewards are transformed into an distribution-correction weights. These weights are then frozen and used to modify a diffusion or flow model in a single stage of importance-weighted denoising or flow matching, without differentiating through sampling trajectories. We establish exact duality for concave utilities under suitable conditions and show that weighted fitting reproduces the optimal target distribution for a given utility. Across image and molecule generation benchmarks, FTFC improves over baselines on diverse preference functions, while also being up to $20\times$ more efficient. roposed method enables adaptation beyond expected-reward maximization without complex optimization, while preserving robustness for more general class of the utility functions compared to baselines.
作者Stipe Frković, Metod Jazbec, Christian A. Naesseth
Masked diffusion language models (dLLMs) have shown strong potential for faster inference through parallel token generation when combined with confidence-based samplers. However, recent work has shown that such methods can defer unmasking high-entropy fork positions at which multiple plausible continuations exist. This results in reduced generation diversity, as shown by worse pass@k scaling, and limits gains obtainable from RL post-training. To avoid this flexibility trap, prior work advocated for autoregressive (AR) sampling. Here, we show that discarding confidence-based sampling is unnecessary and, once inference cost is taken into account, wasteful. We first propose Fork-dLLM, a simple hybrid sampler that uses AR-style ordering only at uncertain fallback steps while retaining parallel generation otherwise. We then extend the same principle to post-training with ForkGRPO, which uses Fork-dLLM rollouts and applies the GRPO objective only at fallback steps, preserving exact policy-likelihood ratios while substantially reducing rollout and optimization cost. In our experiments, Fork-dLLM matches the strong pass@k scaling of AR sampling while being 2-3x more efficient, and ForkGRPO achieves downstream performance comparable to or better than AR-based GRPO baselines at a substantially lower training cost.
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Masked diffusion language models (dLLMs) have shown strong potential for faster inference through parallel token generation when combined with confidence-based samplers. However, recent work has shown that such methods can defer unmasking high-entropy fork positions at which multiple plausible continuations exist. This results in reduced generation diversity, as shown by worse pass@k scaling, and limits gains obtainable from RL post-training. To avoid this flexibility trap, prior work advocated for autoregressive (AR) sampling. Here, we show that discarding confidence-based sampling is unnecessary and, once inference cost is taken into account, wasteful. We first propose Fork-dLLM, a simple hybrid sampler that uses AR-style ordering only at uncertain fallback steps while retaining parallel generation otherwise. We then extend the same principle to post-training with ForkGRPO, which uses Fork-dLLM rollouts and applies the GRPO objective only at fallback steps, preserving exact policy-likelihood ratios while substantially reducing rollout and optimization cost. In our experiments, Fork-dLLM matches the strong pass@k scaling of AR sampling while being 2-3x more efficient, and ForkGRPO achieves downstream performance comparable to or better than AR-based GRPO baselines at a substantially lower training cost.
Diffusion distillation is widely adopted to accelerate sampling, and the resulting few-step models are broadly believed to match or even surpass their multi-step teachers in generation. However, standard evaluations such as GenEval2 typically draw only one sample per prompt, so improved scores may fail to reveal losses in distribution coverage. We therefore revisit whether distilled models truly match their teachers beyond single-draw performance using \textbf{pass@$\mathbf{k}$}, which measures the probability that at least one of $k$ independent samples satisfies a quality criterion. At $k{=}1$, pass@$k$ reduces to standard single-draw evaluation. As $k$ grows, the curve reveals whether additional draws find genuinely different successes or merely revisit the same modes, directly exposing how broadly a model covers the space of valid outputs. We first show that classifier-free guidance (CFG), whose quality--coverage tradeoff is well established, is the clearest case: higher guidance improves pass@$1$, but its advantage shrinks and reverses at larger $k$. Applying pass@$k$ to few-step distilled models, we find the same tradeoff splits along training objectives: distribution-matching objectives concentrate the student's output distribution, boosting early-hit rates while eroding large-budget coverage, whereas consistency and trajectory-based objectives better preserve the teacher's coverage even at large $k$. We further show that this tradeoff extends to few-step causal video generation. Our findings reveal a previously overlooked cost of diffusion distillation: across both image and video generation, the choice of training objective fundamentally determines whether a few-step model inherits its teacher's distribution coverage or trades it away for single-draw quality.
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Diffusion distillation is widely adopted to accelerate sampling, and the resulting few-step models are broadly believed to match or even surpass their multi-step teachers in generation. However, standard evaluations such as GenEval2 typically draw only one sample per prompt, so improved scores may fail to reveal losses in distribution coverage. We therefore revisit whether distilled models truly match their teachers beyond single-draw performance using \textbf{pass@$\mathbf{k}$}, which measures the probability that at least one of $k$ independent samples satisfies a quality criterion. At $k{=}1$, pass@$k$ reduces to standard single-draw evaluation. As $k$ grows, the curve reveals whether additional draws find genuinely different successes or merely revisit the same modes, directly exposing how broadly a model covers the space of valid outputs. We first show that classifier-free guidance (CFG), whose quality--coverage tradeoff is well established, is the clearest case: higher guidance improves pass@$1$, but its advantage shrinks and reverses at larger $k$. Applying pass@$k$ to few-step distilled models, we find the same tradeoff splits along training objectives: distribution-matching objectives concentrate the student's output distribution, boosting early-hit rates while eroding large-budget coverage, whereas consistency and trajectory-based objectives better preserve the teacher's coverage even at large $k$. We further show that this tradeoff extends to few-step causal video generation. Our findings reveal a previously overlooked cost of diffusion distillation: across both image and video generation, the choice of training objective fundamentally determines whether a few-step model inherits its teacher's distribution coverage or trades it away for single-draw quality.
作者Xu Huang, Ye Huang, Zijun Liao, Yuwei Niu, Xiaojie Li, Menghan Zhou, De Wen Soh, Xiaotong Li, Daquan Zhou
High-compression tokenizers are essential for scaling latent image generative models. However, aggressive compression creates a fundamental tradeoff between reconstruction fidelity and generation efficiency: high compression image encoder always increases the learning difficulty of diffusion training, resulting in slow model convergence. Recent representation autoencoders speed up the diffusion training by improving the latent feature's expressive capability by replacing VAE encoders with pretrained semantic encoders, yet they are typically limited to moderate compression and lose pixel-level details necessary for faithful reconstruction. To achieve both high compression and fast diffusion training, we propose DC-SAE, a Decoupled Compact Semantic Autoencoder designed for high-compression image generation with accelerated diffusion model convergence. DC-SAE consists of two key components: (1) a macro-level architecture design that leverages semantic encoders to enable higher compression ratios, and (2) a pixel-level encoder that preserves low-level details, ensuring high-fidelity image reconstruction. We empirically demonstrate that DC-SAE performs strongly on image generation tasks, achieving both compact latent representations and efficient training dynamics. Specifically, on the ImageNet dataset with $512 \times 512$ resolution, DC-SAE achieves $32\times$ spatial compression, with 29.79 PSNR and 3.37 gFID, substantially outperforming the previous state-of-the-art high-compression tokenizer baselines DC-AE by 13.5% and 54.9% on PSNR and gFID, respectively, maintaining comparable throughput and faster diffusion model training convergence. Beyond class-conditional generation, a $1.6$B-parameter DiT using DC-SAE achieves 0.84 on GenEval and 86.007 on DPG-Bench for text-to-image generation at $1024\times1024$ resolution.
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High-compression tokenizers are essential for scaling latent image generative models. However, aggressive compression creates a fundamental tradeoff between reconstruction fidelity and generation efficiency: high compression image encoder always increases the learning difficulty of diffusion training, resulting in slow model convergence. Recent representation autoencoders speed up the diffusion training by improving the latent feature's expressive capability by replacing VAE encoders with pretrained semantic encoders, yet they are typically limited to moderate compression and lose pixel-level details necessary for faithful reconstruction. To achieve both high compression and fast diffusion training, we propose DC-SAE, a Decoupled Compact Semantic Autoencoder designed for high-compression image generation with accelerated diffusion model convergence. DC-SAE consists of two key components: (1) a macro-level architecture design that leverages semantic encoders to enable higher compression ratios, and (2) a pixel-level encoder that preserves low-level details, ensuring high-fidelity image reconstruction. We empirically demonstrate that DC-SAE performs strongly on image generation tasks, achieving both compact latent representations and efficient training dynamics. Specifically, on the ImageNet dataset with $512 \times 512$ resolution, DC-SAE achieves $32\times$ spatial compression, with 29.79 PSNR and 3.37 gFID, substantially outperforming the previous state-of-the-art high-compression tokenizer baselines DC-AE by 13.5% and 54.9% on PSNR and gFID, respectively, maintaining comparable throughput and faster diffusion model training convergence. Beyond class-conditional generation, a $1.6$B-parameter DiT using DC-SAE achieves 0.84 on GenEval and 86.007 on DPG-Bench for text-to-image generation at $1024\times1024$ resolution.
Offline multi-objective optimization (MOO) seeks solutions with better objective trade-offs using only a fixed dataset, without querying the objectives. Diffusion models trained on such data have emerged as a promising approach, but their samples are not inherently better than the data and must be steered toward the Pareto front. Existing methods guide or condition every sampling step. We instead act on the initial noise and leave the sampling process unchanged. Across Off-MOO-Bench, we observe that the objectives, as functions of the noise, are sensitive to only a few directions. We estimate these directions once per task via a Recursive Feature Machine using function values alone, and a small cache serves every trade-off, so each candidate costs one noise displacement and one ODE solve. We prove that this displacement increases the learned scalarized objective in expectation, and that sweeping trade-offs recovers the flow's attainable front up to proxy and steering errors. With additional guidance, for which we introduce novel data-adaptive and Pareto-aware operators, our method attains the best average hypervolume rank among generative methods on 47 tasks, at comparable or lower sampling cost. Steering alone outranks the best prior generative method at a fraction of its sampling cost.
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Offline multi-objective optimization (MOO) seeks solutions with better objective trade-offs using only a fixed dataset, without querying the objectives. Diffusion models trained on such data have emerged as a promising approach, but their samples are not inherently better than the data and must be steered toward the Pareto front. Existing methods guide or condition every sampling step. We instead act on the initial noise and leave the sampling process unchanged. Across Off-MOO-Bench, we observe that the objectives, as functions of the noise, are sensitive to only a few directions. We estimate these directions once per task via a Recursive Feature Machine using function values alone, and a small cache serves every trade-off, so each candidate costs one noise displacement and one ODE solve. We prove that this displacement increases the learned scalarized objective in expectation, and that sweeping trade-offs recovers the flow's attainable front up to proxy and steering errors. With additional guidance, for which we introduce novel data-adaptive and Pareto-aware operators, our method attains the best average hypervolume rank among generative methods on 47 tasks, at comparable or lower sampling cost. Steering alone outranks the best prior generative method at a fraction of its sampling cost.
Diffusion models generate data by reversing a forward corruption process that typically approaches a simple Gaussian prior. Recent work has extended this framework to signals supported on fixed graphs, e.g., road-network traffic and sensor-network measurements. Many graph signals have nonuniform spectral energy, whereas isotropic corruption adds the same conditional noise variance to every graph-frequency mode. Driving all modes to near-zero terminal signal-to-noise ratio (SNR) requires strong corruption, which increases the noise range that must be covered under a fixed sampling budget. We introduce Graph Residual Conjugate Diffusion (GRCD), which replaces the shared clock of graph heat diffusion with a mode-dependent clock that gives every graph-Fourier mode the same conditional SNR. GRCD fits a zero-mean graph-spectral Gaussian reference on the training split and stops at a finite terminal SNR at which the propagated reference still carries the fitted spectral variances. The Gaussian component has an exact modewise propagator in the probability-flow ODE, so sampling advances it analytically and integrates only the learned residual score numerically. We evaluate GRCD on five settings (METR-LA traffic, Molene weather, and three stochastic block models) against seven comparators under a matched protocol: Graph-Aware Diffusion (GAD), EDM (graph backbone), two adaptations of Whitened Score Diffusion (WSD), and three preconditioning controls. At four function evaluations (NFEs), GRCD lowers averaged maximum mean discrepancy (aMMD) by 22 to 36 times over the best comparator on all five settings, reaching 0.054 on METR-LA, where it clears an aMMD 0.1 target with 87% less sampling wall-clock time than the cheapest comparator that reaches it. Fitting the terminal reference reduces aMMD by 2.7 to 7.3 times at finite terminal SNR, while the factors shrink to 1.00 to 1.01 near zero.
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Diffusion models generate data by reversing a forward corruption process that typically approaches a simple Gaussian prior. Recent work has extended this framework to signals supported on fixed graphs, e.g., road-network traffic and sensor-network measurements. Many graph signals have nonuniform spectral energy, whereas isotropic corruption adds the same conditional noise variance to every graph-frequency mode. Driving all modes to near-zero terminal signal-to-noise ratio (SNR) requires strong corruption, which increases the noise range that must be covered under a fixed sampling budget. We introduce Graph Residual Conjugate Diffusion (GRCD), which replaces the shared clock of graph heat diffusion with a mode-dependent clock that gives every graph-Fourier mode the same conditional SNR. GRCD fits a zero-mean graph-spectral Gaussian reference on the training split and stops at a finite terminal SNR at which the propagated reference still carries the fitted spectral variances. The Gaussian component has an exact modewise propagator in the probability-flow ODE, so sampling advances it analytically and integrates only the learned residual score numerically. We evaluate GRCD on five settings (METR-LA traffic, Molene weather, and three stochastic block models) against seven comparators under a matched protocol: Graph-Aware Diffusion (GAD), EDM (graph backbone), two adaptations of Whitened Score Diffusion (WSD), and three preconditioning controls. At four function evaluations (NFEs), GRCD lowers averaged maximum mean discrepancy (aMMD) by 22 to 36 times over the best comparator on all five settings, reaching 0.054 on METR-LA, where it clears an aMMD 0.1 target with 87% less sampling wall-clock time than the cheapest comparator that reaches it. Fitting the terminal reference reduces aMMD by 2.7 to 7.3 times at finite terminal SNR, while the factors shrink to 1.00 to 1.01 near zero.
Flow Matching (FM) learns a velocity field whose ODE transports a simple source distribution to a target law. Existing finite-sample theory largely treats ambient-space regularity or data supported exactly on low-dimensional sets. We study linear FM under a noisy latent-generator model, where a low-dimensional Hölder map is perturbed by nondegenerate ambient Gaussian noise, so the target law is full-dimensional despite its latent structure. We construct a spatially regular ReLU velocity class and establish non-asymptotic high-probability approximation and estimation bounds whose leading sample-size exponent is governed by the latent dimension rather than the ambient dimension, with ambient and noise dependence kept explicit. Fixed positive target noise keeps the interpolation nondegenerate over the full time interval. The same spatial regularity propagates the learned velocity error through the transport ODE, yielding a corresponding Wasserstein convergence guarantee. These results show that exact low-dimensional support is not necessary for Flow Matching to retain latent-dimensional statistical behavior.
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Flow Matching (FM) learns a velocity field whose ODE transports a simple source distribution to a target law. Existing finite-sample theory largely treats ambient-space regularity or data supported exactly on low-dimensional sets. We study linear FM under a noisy latent-generator model, where a low-dimensional Hölder map is perturbed by nondegenerate ambient Gaussian noise, so the target law is full-dimensional despite its latent structure. We construct a spatially regular ReLU velocity class and establish non-asymptotic high-probability approximation and estimation bounds whose leading sample-size exponent is governed by the latent dimension rather than the ambient dimension, with ambient and noise dependence kept explicit. Fixed positive target noise keeps the interpolation nondegenerate over the full time interval. The same spatial regularity propagates the learned velocity error through the transport ODE, yielding a corresponding Wasserstein convergence guarantee. These results show that exact low-dimensional support is not necessary for Flow Matching to retain latent-dimensional statistical behavior.
Flow matching generates samples by gradually transforming noise into data. In practice, using a finite number of sampling steps introduces a numerical error that depends on the chosen schedule. We study this dependence for Gaussian targets and the explicit midpoint sampling method, using the exact flow field. We measure sampling error by the squared Wasserstein distance between the target distribution and the final distribution produced by the midpoint sampler. We show that the standard conditional optimal transport (CondOT) schedule cancels the leading midpoint error and improves the general convergence bound, even when the sampling steps are unequally spaced. On a uniform grid of $S$ sampling steps, we fix the signal schedule at $α_t=t$ and prove the existence of scalar noise schedules $β_t$ that approach the CondOT noise schedule $1-t$ at rate $1/S$ and yield exact Gaussian sampling for every sufficiently large $S$. Controlled Gaussian experiments illustrate the convergence rates and exact calibration.
展开完整摘要收起摘要↓
Flow matching generates samples by gradually transforming noise into data. In practice, using a finite number of sampling steps introduces a numerical error that depends on the chosen schedule. We study this dependence for Gaussian targets and the explicit midpoint sampling method, using the exact flow field. We measure sampling error by the squared Wasserstein distance between the target distribution and the final distribution produced by the midpoint sampler. We show that the standard conditional optimal transport (CondOT) schedule cancels the leading midpoint error and improves the general convergence bound, even when the sampling steps are unequally spaced. On a uniform grid of $S$ sampling steps, we fix the signal schedule at $α_t=t$ and prove the existence of scalar noise schedules $β_t$ that approach the CondOT noise schedule $1-t$ at rate $1/S$ and yield exact Gaussian sampling for every sufficiently large $S$. Controlled Gaussian experiments illustrate the convergence rates and exact calibration.
Multi-image understanding requires MLLMs not only to recognise the content of individual images, but also to organise visual evidence distributed across them. We study this problem through multi-image re-representation, viewing prompted Chain-of-Thought reasoning and agentic visual tool use as different ways of re-organising visual evidence during reasoning. We introduce Mosaic, a general-purpose multi-image visual harness that enables an MLLM to actively construct visual intermediates with ten composable image operations. We compare five re-representation settings on existing multi-image benchmarks and on MosaicBench, a new grounding-focused benchmark for fine-grained multi-image understanding. Our experiments show that the relative benefits of textual and visual re-representation are strongly task-dependent. Visual re-representation is particularly effective for tasks requiring precise visual evidence, including hypothesis testing, precision comparison, and orientation-sensitive reasoning, while tasks dominated by higher-level semantic content show smaller or less consistent gains. Building on this finding, we train MosaicAgent-8B to use Mosaic with reinforcement learning using only accuracy and format rewards. Without demonstration trajectories or rewards for specific tool-use, the agent learns to compose visual operations over multiple steps and exhibits diverse problem-solving patterns unpromptedly. Code and data will be released at https://github.com/gengyuanmax/Mosaic.
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Multi-image understanding requires MLLMs not only to recognise the content of individual images, but also to organise visual evidence distributed across them. We study this problem through multi-image re-representation, viewing prompted Chain-of-Thought reasoning and agentic visual tool use as different ways of re-organising visual evidence during reasoning. We introduce Mosaic, a general-purpose multi-image visual harness that enables an MLLM to actively construct visual intermediates with ten composable image operations. We compare five re-representation settings on existing multi-image benchmarks and on MosaicBench, a new grounding-focused benchmark for fine-grained multi-image understanding. Our experiments show that the relative benefits of textual and visual re-representation are strongly task-dependent. Visual re-representation is particularly effective for tasks requiring precise visual evidence, including hypothesis testing, precision comparison, and orientation-sensitive reasoning, while tasks dominated by higher-level semantic content show smaller or less consistent gains. Building on this finding, we train MosaicAgent-8B to use Mosaic with reinforcement learning using only accuracy and format rewards. Without demonstration trajectories or rewards for specific tool-use, the agent learns to compose visual operations over multiple steps and exhibits diverse problem-solving patterns unpromptedly. Code and data will be released at https://github.com/gengyuanmax/Mosaic.
In hospital workflows, electronic health records (EHRs) are often noisy, and may not contain the evidence needed to confirm events or measurements referenced in a clinical query. Even when database retrieval succeeds, clinical agents can overlook such discrepancies and return plausible but unsupported answers. We introduce EHR-RobustGym, a scalable and interactive environment for evaluating and training robust clinical agents grounded in noisy EHRs. Built on MIMIC-IV hospital records (365K patients, 31 tables, and over 500M records), EHR-RobustGym comprises 5,486 Clean-Noise pairs spanning six clinical intents and both patient-level and population-level queries. The pairs test robustness to Record-level, Value-level, and Query-level noise, while interactive SQL/Python execution and outcome verification support trajectory collection and training. Evaluating multiple LLMs reveals substantial robustness gaps: average task success across proprietary and large-scale open-weight models drops from 62.2% on Clean questions to 37.9% on Noise questions. At k=4, pass^k consistency falls below 50% for most evaluated models, exposing instability in clinical task completion. Supervised fine-tuning and reinforcement learning in EHR-RobustGym improve performance, with gains generalizing to five external EHR benchmarks. Together, these results position EHR-RobustGym as a testbed for evaluating and improving the evidence-grounded robustness of clinical agents.
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In hospital workflows, electronic health records (EHRs) are often noisy, and may not contain the evidence needed to confirm events or measurements referenced in a clinical query. Even when database retrieval succeeds, clinical agents can overlook such discrepancies and return plausible but unsupported answers. We introduce EHR-RobustGym, a scalable and interactive environment for evaluating and training robust clinical agents grounded in noisy EHRs. Built on MIMIC-IV hospital records (365K patients, 31 tables, and over 500M records), EHR-RobustGym comprises 5,486 Clean-Noise pairs spanning six clinical intents and both patient-level and population-level queries. The pairs test robustness to Record-level, Value-level, and Query-level noise, while interactive SQL/Python execution and outcome verification support trajectory collection and training. Evaluating multiple LLMs reveals substantial robustness gaps: average task success across proprietary and large-scale open-weight models drops from 62.2% on Clean questions to 37.9% on Noise questions. At k=4, pass^k consistency falls below 50% for most evaluated models, exposing instability in clinical task completion. Supervised fine-tuning and reinforcement learning in EHR-RobustGym improve performance, with gains generalizing to five external EHR benchmarks. Together, these results position EHR-RobustGym as a testbed for evaluating and improving the evidence-grounded robustness of clinical agents.