作者Yunjiao Zhou, Junlang Qian, Lihua Xie, Jianfei Yang
Despite never being supervised on explicit 3D motion, large-scale text-to-video diffusion models synthesize realistic human motion in their generated videos. We ask whether this implicit knowledge can be turned into explicit 3D motion generation, without training a separate motion model. Probing a frozen Wan2.1 reveals that a recoverable motion signal is present in its intermediate states across the entire denoising schedule, not confined to the clean output. Motivated by this, we introduce parasitic co-denoising, a paradigm in which motion is decoded from the host model along its denoising schedule rather than produced by an independent generator. We instantiate it as the Parasitic Motion Decoder (PMD), an efficient flow-matching decoder that shares the host's noise schedule and reads its intermediate features through a $σ$-adaptive multi-layer fusion, leaving the host unmodified. Drawing its coverage from the host rather than from motion data, PMD leads dedicated motion generators on text-motion alignment at a small fraction of their trainable parameters, while producing paired video and motion in a single pass that motion-only baselines cannot match.
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Despite never being supervised on explicit 3D motion, large-scale text-to-video diffusion models synthesize realistic human motion in their generated videos. We ask whether this implicit knowledge can be turned into explicit 3D motion generation, without training a separate motion model. Probing a frozen Wan2.1 reveals that a recoverable motion signal is present in its intermediate states across the entire denoising schedule, not confined to the clean output. Motivated by this, we introduce parasitic co-denoising, a paradigm in which motion is decoded from the host model along its denoising schedule rather than produced by an independent generator. We instantiate it as the Parasitic Motion Decoder (PMD), an efficient flow-matching decoder that shares the host's noise schedule and reads its intermediate features through a $σ$-adaptive multi-layer fusion, leaving the host unmodified. Drawing its coverage from the host rather than from motion data, PMD leads dedicated motion generators on text-motion alignment at a small fraction of their trainable parameters, while producing paired video and motion in a single pass that motion-only baselines cannot match.
作者Chenxing Liang, Chengdong Wang, Yuchao Lin, Xiaofeng Qian, Shuiwang Ji
Machine learning surrogates for density functional theory (DFT) have been increasingly used to reduce the cost of first-principles calculations. In this arena, predicting real-space electron densities offers a scalable and transferable initialization for self-consistent field (SCF) procedures. However, current methods face a clear dilemma. That is, grid-based architectures incur a high computational cost, while basis-set methods fail to capture the structural correlations inherent in the coefficient space. Here, we develop OrbFlow, an $\mathrm{SE}(3)$-equivariant generative model that predicts Gaussian-type orbital (GTO) coefficients via flow matching. OrbFlow retains the efficiency of a compact atom-centered basis while replacing pointwise regression with a learned probability path over the full coefficient space. It is trained through a two-phase trajectory curriculum that mitigates discretization drift during numerical integration. OrbFlow achieves state-of-the-art accuracy on QM9, reducing density error by 13.6% relative to the previous best model, and reduces error by 51% to 63% on every molecule of the MD benchmark relative to the strongest prior method sharing its basis. The predicted density also cuts SCF iterations by up to 68% with zero-shot transfer to unseen exchange-correlation functionals and recovers dipole and quadrupole moments to within a few percent of DFT references without any SCF calculation.
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Machine learning surrogates for density functional theory (DFT) have been increasingly used to reduce the cost of first-principles calculations. In this arena, predicting real-space electron densities offers a scalable and transferable initialization for self-consistent field (SCF) procedures. However, current methods face a clear dilemma. That is, grid-based architectures incur a high computational cost, while basis-set methods fail to capture the structural correlations inherent in the coefficient space. Here, we develop OrbFlow, an $\mathrm{SE}(3)$-equivariant generative model that predicts Gaussian-type orbital (GTO) coefficients via flow matching. OrbFlow retains the efficiency of a compact atom-centered basis while replacing pointwise regression with a learned probability path over the full coefficient space. It is trained through a two-phase trajectory curriculum that mitigates discretization drift during numerical integration. OrbFlow achieves state-of-the-art accuracy on QM9, reducing density error by 13.6% relative to the previous best model, and reduces error by 51% to 63% on every molecule of the MD benchmark relative to the strongest prior method sharing its basis. The predicted density also cuts SCF iterations by up to 68% with zero-shot transfer to unseen exchange-correlation functionals and recovers dipole and quadrupole moments to within a few percent of DFT references without any SCF calculation.
作者Shizheng Lin, Soon Hoe Lim, N. Benjamin Erichson
We introduce AREX, a training-free sampler for pretrained flow matching models that uses the target mean and covariance to capture an analytically tractable part of the sampling dynamics. We show that the velocity field of the moment-matched Gaussian target is the $L^2$-optimal affine approximation to the marginal velocity field. This motivates decomposition of the learned dynamics into an affine component over the whole sampling path, determined by the first two target moments, and a neural residual term. AREX keeps the affine component and integrates it using an explicit matrix-valued propagator. In turn, we only require to integrate over the residual term. This differs from scalar exponential integrators, which analytically handle only isotropic linear dynamics. Across image and text-to-image generation tasks, AREX consistently improves sample fidelity in the few-step sampling regime without retraining the underlying model.
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We introduce AREX, a training-free sampler for pretrained flow matching models that uses the target mean and covariance to capture an analytically tractable part of the sampling dynamics. We show that the velocity field of the moment-matched Gaussian target is the $L^2$-optimal affine approximation to the marginal velocity field. This motivates decomposition of the learned dynamics into an affine component over the whole sampling path, determined by the first two target moments, and a neural residual term. AREX keeps the affine component and integrates it using an explicit matrix-valued propagator. In turn, we only require to integrate over the residual term. This differs from scalar exponential integrators, which analytically handle only isotropic linear dynamics. Across image and text-to-image generation tasks, AREX consistently improves sample fidelity in the few-step sampling regime without retraining the underlying model.
作者Vladislav Gromadskii, David Li, Samson Gourevitch, Yazid Janati, Eric Moulines, Maxim Panov, Alexander Korotin
Masked discrete diffusion models offer a promising alternative to autoregressive generation, but iterative sampling can be costly, and intractable sequence likelihoods complicate reward fine-tuning. We introduce IDRF, a framework for reward fine-tuning of few-step masked discrete diffusion generators. Starting from a standard reverse-KL-regularized objective, IDRF replaces the intractable sequence-level KL penalty with inverse-distillation regularization. With an optimal auxiliary denoiser, we prove that the population inverse-distillation loss upper-bounds the sequence-level KL divergence to the reference distribution. IDRF optimizes a trajectory-based surrogate of this loss without reference-model rollouts, so the student keeps its own few-step sampler. We view few-step generation as a finite-horizon Markov decision process and optimize reward with a clipped policy-gradient objective over the student's trajectories. Across DNA, image, and text generation, IDRF achieves high reward with up to $32\times$ fewer denoising steps than the reference while mitigating reward hacking and preserving sample quality.
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Masked discrete diffusion models offer a promising alternative to autoregressive generation, but iterative sampling can be costly, and intractable sequence likelihoods complicate reward fine-tuning. We introduce IDRF, a framework for reward fine-tuning of few-step masked discrete diffusion generators. Starting from a standard reverse-KL-regularized objective, IDRF replaces the intractable sequence-level KL penalty with inverse-distillation regularization. With an optimal auxiliary denoiser, we prove that the population inverse-distillation loss upper-bounds the sequence-level KL divergence to the reference distribution. IDRF optimizes a trajectory-based surrogate of this loss without reference-model rollouts, so the student keeps its own few-step sampler. We view few-step generation as a finite-horizon Markov decision process and optimize reward with a clipped policy-gradient objective over the student's trajectories. Across DNA, image, and text generation, IDRF achieves high reward with up to $32\times$ fewer denoising steps than the reference while mitigating reward hacking and preserving sample quality.
Diffusion models rely on numerical solvers requiring time-discretization, which has a large influence on the tradeoff between sampling cost and quality. However, the computational difficulty of the reverse process varies along the sampling trajectory and across data distributions, making the choice of discretization important. We adapt proportional-integral (PI) step-size control to diffusion, using our diffusion noise-normalised error estimator. Unlike existing adaptive methods in diffusion that respond only to the current error, the PI solver also incorporates the previous error, yielding smoother step adaptation. We further show that these per-sample trajectories exhibit shared structure and can be aggregated into a fixed schedule that retains much of the benefit of adaptive sampling. We evaluate both approaches on natural-image and language datasets, in terms of quality, measured by FID at a matched number of neural network evaluations (NFE), comparing them with widely used stochastic solvers and schedules. For images, our fixed discretization outperforms the commonly used EDM schedule in terms of sample quality when used with the stochastic Heun sampler, and with the EDM-churn sampler at low NFE. Additionally, our PI adaptive solver obtains better FID than most stochastic and adaptive baselines, although it does not beat the EDM-churn sampler at low NFE. Moreover, we find our solver outperforms both the EDM and the entropy schedule on language diffusion at low-to-medium NFE in terms of perplexity, with the drawback of lower token entropy. Lastly, we find that the benefit of per-sample adaptivity is problem-dependent. It is highly beneficial in 1D toy examples, while only marginal for image and language data, where the average schedule sometimes even outperforms the PI-adaptive solver. Code is available at https://github.com/ellakemperman/adaptive-second-order-diffusion-solvers
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Diffusion models rely on numerical solvers requiring time-discretization, which has a large influence on the tradeoff between sampling cost and quality. However, the computational difficulty of the reverse process varies along the sampling trajectory and across data distributions, making the choice of discretization important. We adapt proportional-integral (PI) step-size control to diffusion, using our diffusion noise-normalised error estimator. Unlike existing adaptive methods in diffusion that respond only to the current error, the PI solver also incorporates the previous error, yielding smoother step adaptation. We further show that these per-sample trajectories exhibit shared structure and can be aggregated into a fixed schedule that retains much of the benefit of adaptive sampling. We evaluate both approaches on natural-image and language datasets, in terms of quality, measured by FID at a matched number of neural network evaluations (NFE), comparing them with widely used stochastic solvers and schedules. For images, our fixed discretization outperforms the commonly used EDM schedule in terms of sample quality when used with the stochastic Heun sampler, and with the EDM-churn sampler at low NFE. Additionally, our PI adaptive solver obtains better FID than most stochastic and adaptive baselines, although it does not beat the EDM-churn sampler at low NFE. Moreover, we find our solver outperforms both the EDM and the entropy schedule on language diffusion at low-to-medium NFE in terms of perplexity, with the drawback of lower token entropy. Lastly, we find that the benefit of per-sample adaptivity is problem-dependent. It is highly beneficial in 1D toy examples, while only marginal for image and language data, where the average schedule sometimes even outperforms the PI-adaptive solver. Code is available at https://github.com/ellakemperman/adaptive-second-order-diffusion-solvers
作者Saptarshi Chakraborty, Quentin Berthet, Peter L. Bartlett
Despite the remarkable empirical success of flow-matching models, their statistical generalization guarantees remain underdeveloped. Existing analyses often impose restrictive assumptions on the estimated velocity field and yield convergence rates that fail to reflect the intrinsic low-dimensional structure common in real data, such as natural images and molecular geometries. In this work, we study the statistical generalization of flow-matching models for learning an unknown distribution $P_{\mathrm{data}}$ from finitely many samples. We derive finite-sample error bounds on the learned generative distribution, measured in the Wasserstein-$p$ distance, for all $p\geq 1$. Specifically, given $n$ i.i.d. samples from $P_{\mathrm{data}}$, we show that, for every $d>d_p^\ast(P_{\mathrm{data}})$ and appropriately chosen network architectures and hyperparameters, the learned distribution $\widehat{P}^{\mathrm{FM}}$ satisfies $ \mathbb{W}_p(\widehat{P}^{\mathrm{FM}},P_{\mathrm{data}}) \lesssim n^{-1/d}+n^{-1/(2p)}\bigl(\log(1/ξ)\bigr)^{1/(2p)}$ with probability at least $1-ξ$, where $d_p^\ast(P_{\mathrm{data}})$ denotes the Wasserstein-$p$ dimension of the target measure. Our results demonstrate that flow matching naturally adapts to the intrinsic geometry of data and mitigates the curse of dimensionality, as the convergence exponent depends on the intrinsic rather than ambient dimension. These guarantees remain meaningful in high-dimensional regimes and provide a theoretical explanation for the empirical success of flow matching on structured data distributions under substantially more relaxed assumptions than those in existing analyses.
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Despite the remarkable empirical success of flow-matching models, their statistical generalization guarantees remain underdeveloped. Existing analyses often impose restrictive assumptions on the estimated velocity field and yield convergence rates that fail to reflect the intrinsic low-dimensional structure common in real data, such as natural images and molecular geometries. In this work, we study the statistical generalization of flow-matching models for learning an unknown distribution $P_{\mathrm{data}}$ from finitely many samples. We derive finite-sample error bounds on the learned generative distribution, measured in the Wasserstein-$p$ distance, for all $p\geq 1$. Specifically, given $n$ i.i.d. samples from $P_{\mathrm{data}}$, we show that, for every $d>d_p^\ast(P_{\mathrm{data}})$ and appropriately chosen network architectures and hyperparameters, the learned distribution $\widehat{P}^{\mathrm{FM}}$ satisfies $ \mathbb{W}_p(\widehat{P}^{\mathrm{FM}},P_{\mathrm{data}}) \lesssim n^{-1/d}+n^{-1/(2p)}\bigl(\log(1/ξ)\bigr)^{1/(2p)}$ with probability at least $1-ξ$, where $d_p^\ast(P_{\mathrm{data}})$ denotes the Wasserstein-$p$ dimension of the target measure. Our results demonstrate that flow matching naturally adapts to the intrinsic geometry of data and mitigates the curse of dimensionality, as the convergence exponent depends on the intrinsic rather than ambient dimension. These guarantees remain meaningful in high-dimensional regimes and provide a theoretical explanation for the empirical success of flow matching on structured data distributions under substantially more relaxed assumptions than those in existing analyses.
Bayesian data assimilation combines model forecasts with noisy observations, but sampling high-dimensional, non-Gaussian posteriors remains challenging. We introduce an observation-interpolant framework that turns pretrained stochastic interpolant, flow matching, and diffusion models into posterior samplers without retraining. Conditioning the interpolant path on observations yields a shared likelihood-score correction to the drift or velocity, unifying stochastic and deterministic posterior sampling. The resulting SDEs and ODEs sample the exact posterior when the intermediate likelihood score is known. For practical computation, we approximate this score using a closed-form Gaussian surrogate with a bias-corrected mean and covariance inflated by the model's source covariance. Jacobian-free and ensemble-shared approximations make the method tractable in high dimensions. We evaluate the framework on linear-Gaussian dynamics, stochastic two-dimensional Navier-Stokes, and urban airflow with up to $O(10^4)$ degrees of freedom.
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Bayesian data assimilation combines model forecasts with noisy observations, but sampling high-dimensional, non-Gaussian posteriors remains challenging. We introduce an observation-interpolant framework that turns pretrained stochastic interpolant, flow matching, and diffusion models into posterior samplers without retraining. Conditioning the interpolant path on observations yields a shared likelihood-score correction to the drift or velocity, unifying stochastic and deterministic posterior sampling. The resulting SDEs and ODEs sample the exact posterior when the intermediate likelihood score is known. For practical computation, we approximate this score using a closed-form Gaussian surrogate with a bias-corrected mean and covariance inflated by the model's source covariance. Jacobian-free and ensemble-shared approximations make the method tractable in high dimensions. We evaluate the framework on linear-Gaussian dynamics, stochastic two-dimensional Navier-Stokes, and urban airflow with up to $O(10^4)$ degrees of freedom.
作者Zhihan Yang, Wei Guo, Jean-Marie Lemercier, Simon Welker, Yonggan Fu, Mohammad Mahdi Kamani, Sajad Norouzi, Julius Berner, Tomas Geffner, Karsten Kreis, Yongxin Chen, Molei Tao, John Thickstun, Pavlo Molchanov, Ante Jukić, Arash Vahdat, Morteza Mardani
Despite the success of discrete diffusion language models (dLMs) for fast parallel decoding, their non-smooth, high-dimensional space hinders trajectory steering for reasoning and inference acceleration. To overcome this, we present Sigma, the first large-scale (3B/8B) continuous dLM built on steerable, low-dimensional ODE/SDE latent trajectories. Trained blockwise via likelihood optimization, Sigma jointly denoises Gaussian-corrupted token embeddings while learning an optimal embedding geometry. To accelerate training, Sigma leverages pre-trained weights from autoregressive (AR) models for warm-starting. During inference, we identify classifier-free guidance and score temperature as essential for high-fidelity reasoning and coding. Across comprehensive math reasoning and coding evaluations against state-of-the-art discrete counterparts (masked dLMs and AR baselines), Sigma achieves competitive performance with discrete models on standard benchmarks (e.g., GSM8K, Minerva, HumanEval, MBPP) after pre-training and on challenging reasoning tasks (e.g., MATH-500, AIME) after supervised fine-tuning. Beyond performance parity, we uncover key structural properties unique to continuous dLMs: (i) embedding-space steering effectively governs the quality-diversity trade-off, yielding strong pass@k performance and (ii) continuous trajectories enable graceful degradation for low NFEs and efficient distillation. These establish continuous dLMs as a promising paradigm for efficient language generation.
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Despite the success of discrete diffusion language models (dLMs) for fast parallel decoding, their non-smooth, high-dimensional space hinders trajectory steering for reasoning and inference acceleration. To overcome this, we present Sigma, the first large-scale (3B/8B) continuous dLM built on steerable, low-dimensional ODE/SDE latent trajectories. Trained blockwise via likelihood optimization, Sigma jointly denoises Gaussian-corrupted token embeddings while learning an optimal embedding geometry. To accelerate training, Sigma leverages pre-trained weights from autoregressive (AR) models for warm-starting. During inference, we identify classifier-free guidance and score temperature as essential for high-fidelity reasoning and coding. Across comprehensive math reasoning and coding evaluations against state-of-the-art discrete counterparts (masked dLMs and AR baselines), Sigma achieves competitive performance with discrete models on standard benchmarks (e.g., GSM8K, Minerva, HumanEval, MBPP) after pre-training and on challenging reasoning tasks (e.g., MATH-500, AIME) after supervised fine-tuning. Beyond performance parity, we uncover key structural properties unique to continuous dLMs: (i) embedding-space steering effectively governs the quality-diversity trade-off, yielding strong pass@k performance and (ii) continuous trajectories enable graceful degradation for low NFEs and efficient distillation. These establish continuous dLMs as a promising paradigm for efficient language generation.
Consistency models (CMs) have become a leading approach for generating high-quality samples in few steps. However, adding steps can improve or degrade sample quality in ways that are highly sensitive to the schedule and that existing theory does not fully explain. To provide accuracy guarantees and guide CM sampler design, we analyze multistep CM sampling as a composition of noising and approximate denoising operators. Under explicit, verifiable stability assumptions, we derive a non-asymptotic error bound that separates contraction of the initialization error from accumulation of approximation error. The bound assigns distinct roles to the schedule: large early noise levels drive contraction, while small late noise levels control the residual bias. As a corollary, we obtain explicit constants for strongly log-concave and semi-log-concave targets. We further establish a complementary guarantee whose assumptions, one-step accuracy and stability, can be estimated for a given trained model. Experiments show that the contraction and approximation profiles entering our bounds can be reliably measured and closely match the predicted functional forms. Together, these results provide a meaningful convergence theory for multi-step CMs and a practical route to sampler design.
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Consistency models (CMs) have become a leading approach for generating high-quality samples in few steps. However, adding steps can improve or degrade sample quality in ways that are highly sensitive to the schedule and that existing theory does not fully explain. To provide accuracy guarantees and guide CM sampler design, we analyze multistep CM sampling as a composition of noising and approximate denoising operators. Under explicit, verifiable stability assumptions, we derive a non-asymptotic error bound that separates contraction of the initialization error from accumulation of approximation error. The bound assigns distinct roles to the schedule: large early noise levels drive contraction, while small late noise levels control the residual bias. As a corollary, we obtain explicit constants for strongly log-concave and semi-log-concave targets. We further establish a complementary guarantee whose assumptions, one-step accuracy and stability, can be estimated for a given trained model. Experiments show that the contraction and approximation profiles entering our bounds can be reliably measured and closely match the predicted functional forms. Together, these results provide a meaningful convergence theory for multi-step CMs and a practical route to sampler design.
Training-free posterior sampling methods, also known as Plug-and-Play methods, leverage pretrained unconditional diffusion or flow-matching models to solve inverse problems. Most existing approaches rely on guidance weights to balance, at each time step, prior information from the unconditional score or velocity network with measurement consistency, yet the tuning of these weights is often not discussed and is largely left to heuristics. We introduce a simple and principled offline strategy for automatically tuning these guidance weights. Our key observation is that, at each time step, the conditional denoising score-matching objective for diffusion models, or the conditional flow-matching objective for flow-matching models, is a least-squares objective. Therefore, when the conditional prediction is expressed as a weighted sum of the unconditional network output and a measurement-guidance term, optimizing over these weights reduces to a two-dimensional linear least-squares problem. The resulting time-dependent guidance weights can be optimized offline for a given measurement operator, noise level and sampler at the cost of a single minibatch of sampling trajectories, without retraining or fine-tuning the pretrained generative model. Instantiated with the standard Tweedie-based measurement-consistency term, our approach improves posterior sampling and achieves state-of-the-art reconstruction performance across diffusion- and flow-matching-based methods. Moreover, the optimized guidance weights enable diffusion samplers to reduce the number of sampling steps from 1000 to 50 with no significant degradation in reconstruction quality. Code will be made available.
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Training-free posterior sampling methods, also known as Plug-and-Play methods, leverage pretrained unconditional diffusion or flow-matching models to solve inverse problems. Most existing approaches rely on guidance weights to balance, at each time step, prior information from the unconditional score or velocity network with measurement consistency, yet the tuning of these weights is often not discussed and is largely left to heuristics. We introduce a simple and principled offline strategy for automatically tuning these guidance weights. Our key observation is that, at each time step, the conditional denoising score-matching objective for diffusion models, or the conditional flow-matching objective for flow-matching models, is a least-squares objective. Therefore, when the conditional prediction is expressed as a weighted sum of the unconditional network output and a measurement-guidance term, optimizing over these weights reduces to a two-dimensional linear least-squares problem. The resulting time-dependent guidance weights can be optimized offline for a given measurement operator, noise level and sampler at the cost of a single minibatch of sampling trajectories, without retraining or fine-tuning the pretrained generative model. Instantiated with the standard Tweedie-based measurement-consistency term, our approach improves posterior sampling and achieves state-of-the-art reconstruction performance across diffusion- and flow-matching-based methods. Moreover, the optimized guidance weights enable diffusion samplers to reduce the number of sampling steps from 1000 to 50 with no significant degradation in reconstruction quality. Code will be made available.
Converting a pretrained autoregressive (AR) model to a diffusion language model (dLLM) enables parallel generation without pretraining a new model. Published conversion methods differ by roughly three orders of magnitude in training data and have not been compared under a common protocol. We compare two conversions of the same 30B Mixture-of-Experts (MoE) parent, holding the corpus, supervised-token budget, trainable parameter set and evaluation harness fixed, each under its own training recipe. The in-place model updates a subset of the parent's weights using denoising and representation-alignment losses; the frozen-tower model instead conditions through cross-attention on a frozen causal copy of the parent. With 1B training tokens, the frozen-tower model scores 71.60 on HumanEval pass@10 against 6.19 for the in-place model, an 11.6x improvement. At the same budget it also keeps 95% of the parent's GSM8K score and 99% of its MMLU-Pro score. A dense-parent experiment reproduces the HumanEval separation. Within the two-tower design at about 500M tokens, freezing the context tower retains substantially more MMLU-Pro performance than training it, while both give similar observed HumanEval scores. Our theoretical analysis establishes that both conversion classes contain an exact sampler for the AR parent under a hard attention mask and left-to-right commitment of one position per round. Under a shared loss, freezing removes the gradient contribution through the context states. Furthermore, evaluation protocol substantially affects a published 500B-token conversion's scores in both directions across tasks, while its AR parent's scores vary by less than three points, so comparing dLLMs needs a common protocol. These results show that, in the tested low-budget regime, the frozen-tower configuration retains substantially more of the parent's generation performance than in-place conversion.
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Converting a pretrained autoregressive (AR) model to a diffusion language model (dLLM) enables parallel generation without pretraining a new model. Published conversion methods differ by roughly three orders of magnitude in training data and have not been compared under a common protocol. We compare two conversions of the same 30B Mixture-of-Experts (MoE) parent, holding the corpus, supervised-token budget, trainable parameter set and evaluation harness fixed, each under its own training recipe. The in-place model updates a subset of the parent's weights using denoising and representation-alignment losses; the frozen-tower model instead conditions through cross-attention on a frozen causal copy of the parent. With 1B training tokens, the frozen-tower model scores 71.60 on HumanEval pass@10 against 6.19 for the in-place model, an 11.6x improvement. At the same budget it also keeps 95% of the parent's GSM8K score and 99% of its MMLU-Pro score. A dense-parent experiment reproduces the HumanEval separation. Within the two-tower design at about 500M tokens, freezing the context tower retains substantially more MMLU-Pro performance than training it, while both give similar observed HumanEval scores. Our theoretical analysis establishes that both conversion classes contain an exact sampler for the AR parent under a hard attention mask and left-to-right commitment of one position per round. Under a shared loss, freezing removes the gradient contribution through the context states. Furthermore, evaluation protocol substantially affects a published 500B-token conversion's scores in both directions across tasks, while its AR parent's scores vary by less than three points, so comparing dLLMs needs a common protocol. These results show that, in the tested low-budget regime, the frozen-tower configuration retains substantially more of the parent's generation performance than in-place conversion.
作者José Lucas De Melo Costa, Fabrice Popineau, Arpad Rimmel, Bich-Liên Doan
A family of tabular anomaly detectors trains a neural map toward a fixed target under squared-error loss and scores anomalies by the test-time residual; contraction matching, one-step rectified flow, and reconstruction autoencoders all fit this template. We characterize a convergence collapse: better optimization makes the detector worse. At convergence, the learned map tracks the target even off-distribution, so the residual signal vanishes on anomalies as well as on normal data. These detectors therefore rely on implicit non-convergence (early stopping, capacity caps) to retain signal. We argue this is structural: effective anomaly detection requires a locality constraint that blocks unconstrained extrapolation. Classical detectors (kNN, KDE, isolation forests, LOF) enforce locality explicitly; fixed-target neural detectors do not. We formalize the connection by showing that the kernel-regression analog of a fixed-target detector is a finite-bandwidth Nadaraya-Watson smoother, which we call Kernel Contraction Matching (KCM). KCM is closed-form, training-free, and CPU-efficient, yet matches established neural baselines on ADBench. Building on this bridge, we introduce the Kernel-Anchored Regularizer (KAR), which penalizes deviation of the neural prediction from a kernel-weighted average of training targets. Across collapse-prone ADBench datasets and three backbones, KAR mitigates collapse and improves AUROC under prolonged training.
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A family of tabular anomaly detectors trains a neural map toward a fixed target under squared-error loss and scores anomalies by the test-time residual; contraction matching, one-step rectified flow, and reconstruction autoencoders all fit this template. We characterize a convergence collapse: better optimization makes the detector worse. At convergence, the learned map tracks the target even off-distribution, so the residual signal vanishes on anomalies as well as on normal data. These detectors therefore rely on implicit non-convergence (early stopping, capacity caps) to retain signal. We argue this is structural: effective anomaly detection requires a locality constraint that blocks unconstrained extrapolation. Classical detectors (kNN, KDE, isolation forests, LOF) enforce locality explicitly; fixed-target neural detectors do not. We formalize the connection by showing that the kernel-regression analog of a fixed-target detector is a finite-bandwidth Nadaraya-Watson smoother, which we call Kernel Contraction Matching (KCM). KCM is closed-form, training-free, and CPU-efficient, yet matches established neural baselines on ADBench. Building on this bridge, we introduce the Kernel-Anchored Regularizer (KAR), which penalizes deviation of the neural prediction from a kernel-weighted average of training targets. Across collapse-prone ADBench datasets and three backbones, KAR mitigates collapse and improves AUROC under prolonged training.
作者Wooseong Choi, Italo'Ivo Lima Dias Pinto, Chen Sun, Gaurav Gupta, Dong Song, Paul Bogdan
Generative graph models are central to understanding and simulating complex networks. However, existing approaches have complementary strengths and limitations. Mechanistic models offer interpretability but rely on instance-specific estimation methods. Deep generative models, on the other hand, offer amortized inference at the cost of interpretability and are largely limited to graph sizes seen during training. Scientific applications motivate a framework that retains the strengths of both paradigms. We bridge them by formulating both the generative model and parameter recovery in function space. A multifractal step graphon extends standard step graphons with a recursive construction that compactly parameterizes complex networks. This formulation admits a neural inverse operator to recover its parameters, enabling inference on unseen graph sizes. We evaluate our model, trained only on synthetic multifractal step graphon realizations, against both paradigms. Against a graph foundation model pretrained on empirical networks, our method achieves the best average performance on three of four metrics in a zero-shot graph-generation benchmark, indicating that the model transfers to real-world graphs. We also apply our method to single-observation networks, a regime largely inaccessible to deep models that require training corpora, where it performs comparably to an instance-specific method that optimizes on each graph. In a multi-subject EEG case study, the inferred parameters track a reversible change in brain state more sensitively than traditional network statistics. Together, these results indicate that mechanistic interpretability and amortized inference can be effectively unified in a generative graph model to enhance our understanding of complex networks.
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Generative graph models are central to understanding and simulating complex networks. However, existing approaches have complementary strengths and limitations. Mechanistic models offer interpretability but rely on instance-specific estimation methods. Deep generative models, on the other hand, offer amortized inference at the cost of interpretability and are largely limited to graph sizes seen during training. Scientific applications motivate a framework that retains the strengths of both paradigms. We bridge them by formulating both the generative model and parameter recovery in function space. A multifractal step graphon extends standard step graphons with a recursive construction that compactly parameterizes complex networks. This formulation admits a neural inverse operator to recover its parameters, enabling inference on unseen graph sizes. We evaluate our model, trained only on synthetic multifractal step graphon realizations, against both paradigms. Against a graph foundation model pretrained on empirical networks, our method achieves the best average performance on three of four metrics in a zero-shot graph-generation benchmark, indicating that the model transfers to real-world graphs. We also apply our method to single-observation networks, a regime largely inaccessible to deep models that require training corpora, where it performs comparably to an instance-specific method that optimizes on each graph. In a multi-subject EEG case study, the inferred parameters track a reversible change in brain state more sensitively than traditional network statistics. Together, these results indicate that mechanistic interpretability and amortized inference can be effectively unified in a generative graph model to enhance our understanding of complex networks.
作者Jiahao Yu, Saifuddin Syed, José Miguel Hernández-Lobato, Jiajun He
Inference-time control steers a pretrained generative model towards a target distribution without retraining. We study tilted targets $π_0\propto G_0\,p_0$, where $p_0$ is the sampler output distribution and $G_0$ is an evaluable reweighting function. Existing approaches rely on sequential annealing with sequential Monte Carlo (SMC) or parallel annealing with replica exchange (RE). Sequential control is exact but needs large particle populations, whereas no exact parallel control method exists: existing RE corrections approximate an intractable time reversal and are biased. We propose Exact Non-equilibrium COntrol with Replica Exchange (ENCORE), the first exact parallel control method. Each replica stores its generation trajectory, so the upward move is a truncation and the intractable time reversal is never simulated. We prove target invariance and show that the resulting dynamics are those of non-equilibrium replica exchange with the exact time reversal as forward proposal. Under regularity conditions, our diffusion analysis shows that both sequential and parallel control become unstable under refinement of the time discretisation without guidance, whereas guided proposals remain stable and yield diagnostics for tuning the schedule and the computational budget. Across synthetic targets, Boltzmann sampling of biomolecules, and image generation, ENCORE achieves competitive accuracy and diversity, remains robust to sampler perturbations, and applies to distilled samplers where existing RE corrections are unavailable.
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Inference-time control steers a pretrained generative model towards a target distribution without retraining. We study tilted targets $π_0\propto G_0\,p_0$, where $p_0$ is the sampler output distribution and $G_0$ is an evaluable reweighting function. Existing approaches rely on sequential annealing with sequential Monte Carlo (SMC) or parallel annealing with replica exchange (RE). Sequential control is exact but needs large particle populations, whereas no exact parallel control method exists: existing RE corrections approximate an intractable time reversal and are biased. We propose Exact Non-equilibrium COntrol with Replica Exchange (ENCORE), the first exact parallel control method. Each replica stores its generation trajectory, so the upward move is a truncation and the intractable time reversal is never simulated. We prove target invariance and show that the resulting dynamics are those of non-equilibrium replica exchange with the exact time reversal as forward proposal. Under regularity conditions, our diffusion analysis shows that both sequential and parallel control become unstable under refinement of the time discretisation without guidance, whereas guided proposals remain stable and yield diagnostics for tuning the schedule and the computational budget. Across synthetic targets, Boltzmann sampling of biomolecules, and image generation, ENCORE achieves competitive accuracy and diversity, remains robust to sampler perturbations, and applies to distilled samplers where existing RE corrections are unavailable.
作者Jan Blechschmidt, Oliver G. Ernst, Moritz Poguntke, Björn Sprungk
Sampling from the posterior is the central task of computational Bayesian inverse problems. The standard workhorse in Bayesian inference - Markov chain Monte Carlo (MCMC) - is sequential, yields correlated samples, and must be rerun for each observation. Conditional flow matching offers an amortized alternative: a transport map, trained once on joint samples of parameter and data, that yields independent approximate posterior samples for any observation at negligible online cost, without new likelihood evaluations. We give a careful, MCMC-literate assessment of flow matching for PDE-based inverse problems with function-valued parameters. Exploiting the flow's tractable density, we derive computable accuracy estimates of the underlying approximate posterior in total-variation distance and Kullback-Leibler divergence and, moreover, propose a hybrid sampler that is asymptotically exact by Metropolization. We validate the accuracy estimates and demonstrate the amortization in several numerical examples, including electrical impedance tomography and a likelihood-free Lotka-Volterra model.
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Sampling from the posterior is the central task of computational Bayesian inverse problems. The standard workhorse in Bayesian inference - Markov chain Monte Carlo (MCMC) - is sequential, yields correlated samples, and must be rerun for each observation. Conditional flow matching offers an amortized alternative: a transport map, trained once on joint samples of parameter and data, that yields independent approximate posterior samples for any observation at negligible online cost, without new likelihood evaluations. We give a careful, MCMC-literate assessment of flow matching for PDE-based inverse problems with function-valued parameters. Exploiting the flow's tractable density, we derive computable accuracy estimates of the underlying approximate posterior in total-variation distance and Kullback-Leibler divergence and, moreover, propose a hybrid sampler that is asymptotically exact by Metropolization. We validate the accuracy estimates and demonstrate the amortization in several numerical examples, including electrical impedance tomography and a likelihood-free Lotka-Volterra model.
作者Zekai Zhang, Yunjie Tian, Yanjin He, Xiaoyan Zhang, Dongdi Zhao, Qing Qu, Di Fu
Diffusion language models (DLMs) offer a promising alternative to autoregressive (AR) language generation. Recent advances in continuous DLMs, which apply latent diffusion to continuous text embeddings, raise a practical question: which embedding makes the best latent space, i.e., the most diffusible? To answer this, we search through different embeddings and find that scaling the embedding model to stronger ones within the same family (T5 to T5Gemma-1 to T5Gemma-2) greatly improves generative performance. But the raw T5Gemma-2 embeddings are still not optimal. They are so discriminative that even the embeddings of plausible alternative words are separated, which makes the generation vulnerable to imperfect sampling. Consequently, continuous diffusion often fails to reach any of them and ends up at an invalid embedding instead. To address this, we distill T5Gemma-2 into a student encoder that learns the teacher's decoded probabilities as soft labels. Learning from such soft labels makes the student pull the alternative embeddings closer while maintaining the encoding-decoding mechanism. The distilled embeddings form a more connected and diffusible latent space, improving over the vanilla T5Gemma-2 embeddings. As a result, our medium-sized DLM achieves Gen. PPL 17.8 (against real-text PPL 15.4) at real-text entropy on OpenWebText, outperforming GPT-2-M on Gen. PPL.
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Diffusion language models (DLMs) offer a promising alternative to autoregressive (AR) language generation. Recent advances in continuous DLMs, which apply latent diffusion to continuous text embeddings, raise a practical question: which embedding makes the best latent space, i.e., the most diffusible? To answer this, we search through different embeddings and find that scaling the embedding model to stronger ones within the same family (T5 to T5Gemma-1 to T5Gemma-2) greatly improves generative performance. But the raw T5Gemma-2 embeddings are still not optimal. They are so discriminative that even the embeddings of plausible alternative words are separated, which makes the generation vulnerable to imperfect sampling. Consequently, continuous diffusion often fails to reach any of them and ends up at an invalid embedding instead. To address this, we distill T5Gemma-2 into a student encoder that learns the teacher's decoded probabilities as soft labels. Learning from such soft labels makes the student pull the alternative embeddings closer while maintaining the encoding-decoding mechanism. The distilled embeddings form a more connected and diffusible latent space, improving over the vanilla T5Gemma-2 embeddings. As a result, our medium-sized DLM achieves Gen. PPL 17.8 (against real-text PPL 15.4) at real-text entropy on OpenWebText, outperforming GPT-2-M on Gen. PPL.
Mixture-of-Experts (MoE) Diffusion Language Models (DLMs) offer flexible parallel decoding and increased model capacity, but their large number of expert parameters incurs substantial computation and storage costs. Existing low-rank MoE compression methods largely rely on static factorization and fixed rank allocation, which overlook the distinctive properties of MoE DLMs. Specifically, we identify two properties: cross-mode non-uniform redundancy, where parameter redundancy and sensitivity to rank truncation vary across the input, output, and expert modes, and token-wise utilization variation, where hot and cold tokens exhibit distinct spectral characteristics and expert activation patterns. To address these challenges, we propose ITC-MoE, an Importance-guided Token-aware Compression framework for MoE DLMs. ITC-MoE consists of two complementary components. First, Importance-guided Adaptive Tucker Compression (IATC) incorporates activation and gradient importance into expert weight transformation, jointly factorizes expert weights across multiple modes, and adaptively allocates ranks under a fixed parameter budget. Second, Token-aware Compensation and Routing (TCR) applies lightweight low-rank compensation to compression-sensitive hot tokens and restricts the candidate expert set for cold tokens with concentrated routing patterns. By jointly adapting compression capacity and inference execution to both parameter redundancy and token-wise variation, ITC-MoE substantially reduces the computation and storage costs of MoE DLMs while preserving their generation quality. For example, on SDAR-30B-A3B-Chat-b32, ITC-MoE maintains an accuracy of 96.33% on MultiArith under a 30% compression budget, while achieving up to a 7.22x end-to-end speedup. The code is publicly available at https://github.com/lianjunl13-sudo/ITC-MoE.
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Mixture-of-Experts (MoE) Diffusion Language Models (DLMs) offer flexible parallel decoding and increased model capacity, but their large number of expert parameters incurs substantial computation and storage costs. Existing low-rank MoE compression methods largely rely on static factorization and fixed rank allocation, which overlook the distinctive properties of MoE DLMs. Specifically, we identify two properties: cross-mode non-uniform redundancy, where parameter redundancy and sensitivity to rank truncation vary across the input, output, and expert modes, and token-wise utilization variation, where hot and cold tokens exhibit distinct spectral characteristics and expert activation patterns. To address these challenges, we propose ITC-MoE, an Importance-guided Token-aware Compression framework for MoE DLMs. ITC-MoE consists of two complementary components. First, Importance-guided Adaptive Tucker Compression (IATC) incorporates activation and gradient importance into expert weight transformation, jointly factorizes expert weights across multiple modes, and adaptively allocates ranks under a fixed parameter budget. Second, Token-aware Compensation and Routing (TCR) applies lightweight low-rank compensation to compression-sensitive hot tokens and restricts the candidate expert set for cold tokens with concentrated routing patterns. By jointly adapting compression capacity and inference execution to both parameter redundancy and token-wise variation, ITC-MoE substantially reduces the computation and storage costs of MoE DLMs while preserving their generation quality. For example, on SDAR-30B-A3B-Chat-b32, ITC-MoE maintains an accuracy of 96.33% on MultiArith under a 30% compression budget, while achieving up to a 7.22x end-to-end speedup. The code is publicly available at https://github.com/lianjunl13-sudo/ITC-MoE.
Many applications in statistics, economics, and physics require sampling from high-dimensional categorical distributions with local dependence structures. Examples include finite memory language models, Ising and Potts systems in statistical physics and protein folding, etc. In modern machine learning, discrete diffusions have emerged as a flexible approach for sampling such data, with strong empirical performance. Motivated by this, we develop learning methods with end-to-end sample complexity bounds for discrete diffusion with uniform noising under local dependence, which we model through low order Markov random fields (MRFs). Our main technical insight is a new pinning decomposition of the discrete score. It shows that unlike in continuous diffusions, the score decomposes into components where the dependence on time separates multiplicatively from the dependence on the target. Building on this decomposition, we propose a weight-sharing neural score learner and combine it with $τ$-leaping to obtain an end-to-end sampling procedure. Rather than treating score-learning error as a black-box input, as is common in existing sampling analyses, we study the score learning error from finite data and derive optimal sampling guarantees with explicit dependence on the vocabulary size, the interaction order of the MRF, and the sample size. Moreover, our strategy trains a single score network across uniform noise levels while leaving the sampling discretization to be chosen at inference-time. This allows the same trained model to trade accuracy for computational cost as inference-time budgets vary. Numerical experiments on Potts, Ising, and tree-structured models show that weight-sharing score networks outperform fully connected ones for sampling long sequences.
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Many applications in statistics, economics, and physics require sampling from high-dimensional categorical distributions with local dependence structures. Examples include finite memory language models, Ising and Potts systems in statistical physics and protein folding, etc. In modern machine learning, discrete diffusions have emerged as a flexible approach for sampling such data, with strong empirical performance. Motivated by this, we develop learning methods with end-to-end sample complexity bounds for discrete diffusion with uniform noising under local dependence, which we model through low order Markov random fields (MRFs). Our main technical insight is a new pinning decomposition of the discrete score. It shows that unlike in continuous diffusions, the score decomposes into components where the dependence on time separates multiplicatively from the dependence on the target. Building on this decomposition, we propose a weight-sharing neural score learner and combine it with $τ$-leaping to obtain an end-to-end sampling procedure. Rather than treating score-learning error as a black-box input, as is common in existing sampling analyses, we study the score learning error from finite data and derive optimal sampling guarantees with explicit dependence on the vocabulary size, the interaction order of the MRF, and the sample size. Moreover, our strategy trains a single score network across uniform noise levels while leaving the sampling discretization to be chosen at inference-time. This allows the same trained model to trade accuracy for computational cost as inference-time budgets vary. Numerical experiments on Potts, Ising, and tree-structured models show that weight-sharing score networks outperform fully connected ones for sampling long sequences.
作者Tao Wu, Alexandra Gomez-Villa, Senmao Li, Yaxing Wang, Joost van de Weijer, Kai Wang
Recent advances in rectified flow-based image-to-3D generative models have enabled high-fidelity 3D asset generation. Building on this, a growing line of work has exploited these strong 3D priors for training-free stylization, transferring visual attributes from a reference image onto a generated 3D asset. However, existing methods enforce an all-or-nothing paradigm: color and texture are transferred jointly, with no mechanism to control them independently — a limitation we formalize as Disentangled 3D Stylization(Disen3D). To address this, we propose DiDE, the first training-free framework for Disen3D. Key to our approach is the observation that the structured latent space of image-to-3D models is overcomplete with respect to texture: texture information occupies only a small subset of the style-significant channels, leaving a free subspace available for independent color encoding. DiDE exploits this via a channel partition mechanism that processes a content image, a texture reference, and a color reference through dedicated branches and composes both style signals interference-free at every self-attention layer, preserving content geometry throughout. Experiments on Disen3D-Bench, our newly collected multi-reference benchmark, show that DiDE consistently outperforms 2D and 3D stylization baselines in color fidelity, texture transfer, and content preservation.
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Recent advances in rectified flow-based image-to-3D generative models have enabled high-fidelity 3D asset generation. Building on this, a growing line of work has exploited these strong 3D priors for training-free stylization, transferring visual attributes from a reference image onto a generated 3D asset. However, existing methods enforce an all-or-nothing paradigm: color and texture are transferred jointly, with no mechanism to control them independently — a limitation we formalize as Disentangled 3D Stylization(Disen3D). To address this, we propose DiDE, the first training-free framework for Disen3D. Key to our approach is the observation that the structured latent space of image-to-3D models is overcomplete with respect to texture: texture information occupies only a small subset of the style-significant channels, leaving a free subspace available for independent color encoding. DiDE exploits this via a channel partition mechanism that processes a content image, a texture reference, and a color reference through dedicated branches and composes both style signals interference-free at every self-attention layer, preserving content geometry throughout. Experiments on Disen3D-Bench, our newly collected multi-reference benchmark, show that DiDE consistently outperforms 2D and 3D stylization baselines in color fidelity, texture transfer, and content preservation.
作者Jiho Jang, Jinyoung Kim, Nojun Kwak, Kyungjune Kim
While recent video generative models can synthesize high-fidelity videos, they struggle to portray plausible physical interactions and the resulting state transitions, a critical bottleneck for applications in robotics and VR/AR. To address this, we introduce a framework to generate a scalable synthetic dataset of controllable interactions. Our pipeline leverages a structured taxonomy and state-of-the-art image editing models to create explicit `start' and `end' state images, which serve as visual anchors for the interaction. To generate a seamless video utilizing these anchors, we propose State-Guided Sampling (SGS), a novel sampling technique that mitigates artifacts common in naive conditional generation. Furthermore, we develop and validate a new automated evaluation system that aligns with human judgments to ensure data quality. Experiments show that fine-tuning a base model on our dataset significantly enhances its ability to generate plausible interactions.
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While recent video generative models can synthesize high-fidelity videos, they struggle to portray plausible physical interactions and the resulting state transitions, a critical bottleneck for applications in robotics and VR/AR. To address this, we introduce a framework to generate a scalable synthetic dataset of controllable interactions. Our pipeline leverages a structured taxonomy and state-of-the-art image editing models to create explicit `start' and `end' state images, which serve as visual anchors for the interaction. To generate a seamless video utilizing these anchors, we propose State-Guided Sampling (SGS), a novel sampling technique that mitigates artifacts common in naive conditional generation. Furthermore, we develop and validate a new automated evaluation system that aligns with human judgments to ensure data quality. Experiments show that fine-tuning a base model on our dataset significantly enhances its ability to generate plausible interactions.
We consider the problem of sampling from Gibbs distributions on matrix spaces whose potential energies are neither convex nor globally gradient-Lipschitz. We introduce a family of non-quadratic kinetic energies that lead to a new underdamped Langevin system with momentum preconditioning, in which the gradient of the kinetic energy acts as a smooth spectral taming of the momentum. We prove that, under these relaxed assumptions on the potential, the resulting dynamics leaves the target Gibbs measure invariant, and we establish exponential convergence to equilibrium in a weighted total variation distance. Finally, we show that the corresponding Euler-Maruyama discretization admits moment bounds that are uniform in time, without any modification of the potential gradient, which ensures the stability of the resulting sampling algorithm.
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We consider the problem of sampling from Gibbs distributions on matrix spaces whose potential energies are neither convex nor globally gradient-Lipschitz. We introduce a family of non-quadratic kinetic energies that lead to a new underdamped Langevin system with momentum preconditioning, in which the gradient of the kinetic energy acts as a smooth spectral taming of the momentum. We prove that, under these relaxed assumptions on the potential, the resulting dynamics leaves the target Gibbs measure invariant, and we establish exponential convergence to equilibrium in a weighted total variation distance. Finally, we show that the corresponding Euler-Maruyama discretization admits moment bounds that are uniform in time, without any modification of the potential gradient, which ensures the stability of the resulting sampling algorithm.
We introduce a new framework for one-step generative modelling on finite state spaces. To extend drifting beyond continuous domains, we use discrete Wasserstein geometry to define a target-relative KL gradient flow over the transitions of a reversible Markov kernel. We realize this probability flow at the particle level through Markov jumps and amortize the resulting transport updates into a latent-conditioned generator, so that the iterative dynamics are required only during training while inference remains one-step. In a controlled setting where the underlying distributions and transport dynamics can be computed exactly, we verify KL dissipation, consistency between the particle dynamics and the probability flow, and the predicted numerical scaling. We further show that a finite-capacity neural generator can track these exact transport targets while retaining one-step generation. These results validate the basic construction and provide a foundation for scaling Discrete Drifting to structured discrete data.
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We introduce a new framework for one-step generative modelling on finite state spaces. To extend drifting beyond continuous domains, we use discrete Wasserstein geometry to define a target-relative KL gradient flow over the transitions of a reversible Markov kernel. We realize this probability flow at the particle level through Markov jumps and amortize the resulting transport updates into a latent-conditioned generator, so that the iterative dynamics are required only during training while inference remains one-step. In a controlled setting where the underlying distributions and transport dynamics can be computed exactly, we verify KL dissipation, consistency between the particle dynamics and the probability flow, and the predicted numerical scaling. We further show that a finite-capacity neural generator can track these exact transport targets while retaining one-step generation. These results validate the basic construction and provide a foundation for scaling Discrete Drifting to structured discrete data.
Recent work on language-model adaptation has shown that single models can obtain informative training signals by evaluating their behavior in demonstrationor feedback-augmented contexts, with the help of a teacher network, which is driven by the student's learned parameters. Inspired by this internal-reference principle, we investigate how diffusion models can identify self-referenced training signals without external demonstrations or teacher networks. We introduce SALD, a self-referenced training framework that evaluates each image-caption pair at two noise levels using the same model. The easier, lower-noise path is evaluated without gradient tracking to provide a reference, while the harder, higher-noise path provides the training gradient. Rather than directly distilling the easy-path prediction, SALD uses the difference between two path errors to adapt the hardpath objective. The proposed Advantage-Guided Diffusion (AGD) converts this relative error into a differentiable sample-level weight. Temporal Advantage Memory (TAM) accumulates relative difficulty across training and adapts the future gap between the two noise levels. Spectral Advantage Decomposition (SAD) further compares the residual power spectra of the two paths and constructs a differentiable, frequency-derived latent-element weight. All components share a single set of model parameters, requiring neither an external teacher network nor additional trainable parameters during training or inference, and no modification to the inference procedure. Experiments across multiple architectures and datasets demonstrate consistent improvements in generation quality, while component-wise ablations quantify the contributions of the proposed components.
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Recent work on language-model adaptation has shown that single models can obtain informative training signals by evaluating their behavior in demonstrationor feedback-augmented contexts, with the help of a teacher network, which is driven by the student's learned parameters. Inspired by this internal-reference principle, we investigate how diffusion models can identify self-referenced training signals without external demonstrations or teacher networks. We introduce SALD, a self-referenced training framework that evaluates each image-caption pair at two noise levels using the same model. The easier, lower-noise path is evaluated without gradient tracking to provide a reference, while the harder, higher-noise path provides the training gradient. Rather than directly distilling the easy-path prediction, SALD uses the difference between two path errors to adapt the hardpath objective. The proposed Advantage-Guided Diffusion (AGD) converts this relative error into a differentiable sample-level weight. Temporal Advantage Memory (TAM) accumulates relative difficulty across training and adapts the future gap between the two noise levels. Spectral Advantage Decomposition (SAD) further compares the residual power spectra of the two paths and constructs a differentiable, frequency-derived latent-element weight. All components share a single set of model parameters, requiring neither an external teacher network nor additional trainable parameters during training or inference, and no modification to the inference procedure. Experiments across multiple architectures and datasets demonstrate consistent improvements in generation quality, while component-wise ablations quantify the contributions of the proposed components.
Bio-inspired tendon-driven rigid-soft coupled dexterous fingers exhibit strong nonlinearity and configuration-dependent sensitivity, making accurate modeling challenging. In discrete-time control, Jacobian-based kinematic algorithms typically rely on point-wise local linear approximations, which makes their performance sensitive to sensor sampling frequency and controller update frequency. To address this issue, we propose Jacobian Flow Matching (JFM), a structured learning framework based on Conditional Flow Matching (CFM), to learn a resolution-consistent Jacobian field that models actuation-to-motion transitions as a dynamical flow. The proposed framework supports both single-step prediction and continuous rollout via ODE integration, enabling consistent inference across temporal resolutions. Experiments on a tendon-driven rigid-soft finger show that the proposed method suppresses outlier errors and improves single-step prediction accuracy, reducing the global average RMSE by over 53% compared with a baseline discrete Jacobian learning approach. For long-horizon prediction, trajectories recovered via ODE integration achieve higher fidelity under sparse sampling (Stride = 8), reducing the RMSE median by 14.43% and the error variance by 24.87%. These results demonstrate that the learned flow-based Jacobian field provides an effective local model for offline multi-step trajectory optimization in rigid-soft coupled nonlinear systems.
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Bio-inspired tendon-driven rigid-soft coupled dexterous fingers exhibit strong nonlinearity and configuration-dependent sensitivity, making accurate modeling challenging. In discrete-time control, Jacobian-based kinematic algorithms typically rely on point-wise local linear approximations, which makes their performance sensitive to sensor sampling frequency and controller update frequency. To address this issue, we propose Jacobian Flow Matching (JFM), a structured learning framework based on Conditional Flow Matching (CFM), to learn a resolution-consistent Jacobian field that models actuation-to-motion transitions as a dynamical flow. The proposed framework supports both single-step prediction and continuous rollout via ODE integration, enabling consistent inference across temporal resolutions. Experiments on a tendon-driven rigid-soft finger show that the proposed method suppresses outlier errors and improves single-step prediction accuracy, reducing the global average RMSE by over 53% compared with a baseline discrete Jacobian learning approach. For long-horizon prediction, trajectories recovered via ODE integration achieve higher fidelity under sparse sampling (Stride = 8), reducing the RMSE median by 14.43% and the error variance by 24.87%. These results demonstrate that the learned flow-based Jacobian field provides an effective local model for offline multi-step trajectory optimization in rigid-soft coupled nonlinear systems.
作者Hyungjun Joo, Sehwan Kim, Hyeonggeun Han, Sangwoo Hong, Jungwoo Lee
Text-to-image diffusion models have achieved remarkable progress in image synthesis, yet can exhibit memorization by closely reproducing individual training examples. Effective mitigation must preserve useful prompt information to guide alternative depictions. We introduce a training-free method that redistributes cross-attention with Gaussian smoothing before reinforcing content-token contributions and attenuating padding contributions, without additional denoiser evaluations. With this intervention, stronger content conditioning can improve prompt alignment at comparable training-image similarity. A local analysis identifies when reinforcement preserves shared value information while redistribution reduces localized attention mass. On Stable Diffusion v1.4 and v2.0, all evaluated smoothing widths lie on the empirical Pareto frontiers for training-image similarity versus both prompt alignment and image preference. A configuration selected on Stable Diffusion reduces template reproduction in DeepFloyd IF without further tuning. These findings support jointly controlling conditioning allocation and strength to generate prompt-consistent alternatives.
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Text-to-image diffusion models have achieved remarkable progress in image synthesis, yet can exhibit memorization by closely reproducing individual training examples. Effective mitigation must preserve useful prompt information to guide alternative depictions. We introduce a training-free method that redistributes cross-attention with Gaussian smoothing before reinforcing content-token contributions and attenuating padding contributions, without additional denoiser evaluations. With this intervention, stronger content conditioning can improve prompt alignment at comparable training-image similarity. A local analysis identifies when reinforcement preserves shared value information while redistribution reduces localized attention mass. On Stable Diffusion v1.4 and v2.0, all evaluated smoothing widths lie on the empirical Pareto frontiers for training-image similarity versus both prompt alignment and image preference. A configuration selected on Stable Diffusion reduces template reproduction in DeepFloyd IF without further tuning. These findings support jointly controlling conditioning allocation and strength to generate prompt-consistent alternatives.
Concept erasure aims to remove a target concept, such as a copyrighted style, a recognizable character, or unsafe content, from a pretrained text-to-image diffusion model while preserving its ability to generate other content. Existing activation steering methods build an erasure direction mainly from the target concept and adjust model activations along it at inference time. However, target and retained concepts often overlap in the model's representation space, so this direction also contains shared components that retained concepts rely on. Steering directly along this direction can therefore suppress retained concepts and harm the generation of non-target content. To address this issue, we propose Retain-aware Activation Steering (RASteer), a training-free method. RASteer first builds a retain subspace from the concepts to preserve. Retain-Orthogonal Steering (ROS) then removes components aligned with this subspace from the erasure direction, making steering more specific to the target. Since fully removing the shared components can weaken erasure, we further introduce Overlap-Adaptive Calibration (OAC). At each layer and denoising step, OAC uses the overlap between the erasure direction and the retain subspace to control how much of each shared component is removed, balancing target erasure and concept preservation. Experiments on unsafe-content, instance, and artistic-style erasure across multiple backbones and benchmarks show that RASteer matches or outperforms the activation steering and weight editing baselines we evaluate, achieving a better balance between erasure and preservation.
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Concept erasure aims to remove a target concept, such as a copyrighted style, a recognizable character, or unsafe content, from a pretrained text-to-image diffusion model while preserving its ability to generate other content. Existing activation steering methods build an erasure direction mainly from the target concept and adjust model activations along it at inference time. However, target and retained concepts often overlap in the model's representation space, so this direction also contains shared components that retained concepts rely on. Steering directly along this direction can therefore suppress retained concepts and harm the generation of non-target content. To address this issue, we propose Retain-aware Activation Steering (RASteer), a training-free method. RASteer first builds a retain subspace from the concepts to preserve. Retain-Orthogonal Steering (ROS) then removes components aligned with this subspace from the erasure direction, making steering more specific to the target. Since fully removing the shared components can weaken erasure, we further introduce Overlap-Adaptive Calibration (OAC). At each layer and denoising step, OAC uses the overlap between the erasure direction and the retain subspace to control how much of each shared component is removed, balancing target erasure and concept preservation. Experiments on unsafe-content, instance, and artistic-style erasure across multiple backbones and benchmarks show that RASteer matches or outperforms the activation steering and weight editing baselines we evaluate, achieving a better balance between erasure and preservation.
Concept erasure removes copyright-protected, privacy-sensitive, or otherwise undesirable concepts from pretrained text-to-image diffusion models to support content governance and compliance. As erasure requests arrive over time, models must remove new targets without undoing prior erasures. Existing methods do not constrain interference across edits: residual perturbations outside the retain set interact and accumulate, degrading unrelated generations and sometimes collapsing previously erased targets into noise. We propose CEASE (Continual Erasure via Adaptive Subspace Editing), a training-free method that imposes two subspace constraints on a closed-form solver. CEASE adds the token representation of the shared replacement to the solver's invariance matrix and, when interference is detected, projects the current update onto the orthogonal complement of dominant output directions extracted from cumulative past updates. A closed-form decomposition attributes the accumulated interference to repeated activation of the shared replacement and overlap between successive update directions, showing that the two constraints suppress these respective sources. Across continual erasure of celebrities, artistic styles, and instances, CEASE achieves the most consistent erase-preserve trade-off, while existing methods either degrade general generation or insufficiently erase targets.
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Concept erasure removes copyright-protected, privacy-sensitive, or otherwise undesirable concepts from pretrained text-to-image diffusion models to support content governance and compliance. As erasure requests arrive over time, models must remove new targets without undoing prior erasures. Existing methods do not constrain interference across edits: residual perturbations outside the retain set interact and accumulate, degrading unrelated generations and sometimes collapsing previously erased targets into noise. We propose CEASE (Continual Erasure via Adaptive Subspace Editing), a training-free method that imposes two subspace constraints on a closed-form solver. CEASE adds the token representation of the shared replacement to the solver's invariance matrix and, when interference is detected, projects the current update onto the orthogonal complement of dominant output directions extracted from cumulative past updates. A closed-form decomposition attributes the accumulated interference to repeated activation of the shared replacement and overlap between successive update directions, showing that the two constraints suppress these respective sources. Across continual erasure of celebrities, artistic styles, and instances, CEASE achieves the most consistent erase-preserve trade-off, while existing methods either degrade general generation or insufficiently erase targets.
Many scientific and machine learning systems, from molecular dynamics to diffusion models and beyond, are governed by stochastic dynamics with low-dimensional structure, evolving on slow timescales. However, target trajectories, used to identify and interpret such dynamics, are often inaccessible: only biased or static samples that explore the underlying manifold are available. We introduce Langevin-Informed Transfer Learning (LITL), a framework for recovering target Langevin dynamics from biased source samples using only black-box feedback. LITL learns the leading spectral structure of the target infinitesimal generator and the projected drift through Dirichlet representation learning, enabling kinetic reconstruction in spectral form and slow-manifold gradient field estimation. We further introduce a spherical variant well suited to steering normalized latent representations commonly used in learning systems toward desired objectives. We establish finite-sample guarantees for eigenvalue, eigenfunction, and projected drift estimation in Sobolev norms, thereby ensuring generalization of these quantities and their first-order derivatives. Empirically, LITL recovers physical transition timescales from biased molecular simulations, builds kinetic structure from static samples of generative models, reconstructs spherical symmetries of physical systems, and enables post-hoc latent steering of trained neural networks under black-box feedback. Together, these results position spectral operator learning as a practical framework for recovering stochastic dynamics under distribution shift and unlock applications across machine learning and the physical sciences.
展开完整摘要收起摘要↓
Many scientific and machine learning systems, from molecular dynamics to diffusion models and beyond, are governed by stochastic dynamics with low-dimensional structure, evolving on slow timescales. However, target trajectories, used to identify and interpret such dynamics, are often inaccessible: only biased or static samples that explore the underlying manifold are available. We introduce Langevin-Informed Transfer Learning (LITL), a framework for recovering target Langevin dynamics from biased source samples using only black-box feedback. LITL learns the leading spectral structure of the target infinitesimal generator and the projected drift through Dirichlet representation learning, enabling kinetic reconstruction in spectral form and slow-manifold gradient field estimation. We further introduce a spherical variant well suited to steering normalized latent representations commonly used in learning systems toward desired objectives. We establish finite-sample guarantees for eigenvalue, eigenfunction, and projected drift estimation in Sobolev norms, thereby ensuring generalization of these quantities and their first-order derivatives. Empirically, LITL recovers physical transition timescales from biased molecular simulations, builds kinetic structure from static samples of generative models, reconstructs spherical symmetries of physical systems, and enables post-hoc latent steering of trained neural networks under black-box feedback. Together, these results position spectral operator learning as a practical framework for recovering stochastic dynamics under distribution shift and unlock applications across machine learning and the physical sciences.
作者Minh Vu, Samuel Livingstone, Pantelis Samartsidis
Skew-symmetric probability distributions provide a principled mechanism for incorporating gradient information into Markov chain Monte Carlo algorithms. Here we review the (preconditioned) Barker proposal, a Metropolis--Hastings algorithm built on skew-symmetric distributions, and motivate its design. We then introduce three natural extensions. First, we propose coordinate-free variants of the Barker algorithm. Second, we introduce a Gibbs-style Barker algorithm that re-evaluates the gradient at each partially updated coordinate. Third, we derive a simplified manifold Barker algorithm, producing a manifold sampler with enhanced robustness compared to natural comparators. Numerical experiments demonstrate that the Gibbs-style variant improves raw sampling efficiency on correlated targets, that the coordinate-free variants offer limited practical advantage over the standard Barker proposal once computational costs are accounted for, and that the simplified manifold Barker algorithm can achieve significant advantages over simplified manifold MALA when the local geometric structure of the target is irregular or unreliable.
展开完整摘要收起摘要↓
Skew-symmetric probability distributions provide a principled mechanism for incorporating gradient information into Markov chain Monte Carlo algorithms. Here we review the (preconditioned) Barker proposal, a Metropolis--Hastings algorithm built on skew-symmetric distributions, and motivate its design. We then introduce three natural extensions. First, we propose coordinate-free variants of the Barker algorithm. Second, we introduce a Gibbs-style Barker algorithm that re-evaluates the gradient at each partially updated coordinate. Third, we derive a simplified manifold Barker algorithm, producing a manifold sampler with enhanced robustness compared to natural comparators. Numerical experiments demonstrate that the Gibbs-style variant improves raw sampling efficiency on correlated targets, that the coordinate-free variants offer limited practical advantage over the standard Barker proposal once computational costs are accounted for, and that the simplified manifold Barker algorithm can achieve significant advantages over simplified manifold MALA when the local geometric structure of the target is irregular or unreliable.
Although diffusion models produce high-quality images, they also reproduce and amplify demographic imbalances in their training data. Debiasing their generation process post-training w.r.t. some sensitive attribute usually relies on classifier guidance or explicit text extra-conditioning, but this reduces methods' applicability and output diversity. Conversely, methods promoting diversity alone do not ensure fair attribute representation. In this paper, we propose a method tackling fairness and diversity jointly that is generally applicable to any diffusion model and any sensitive attribute. To this end, an adapter connects the frozen diffusion model to a pretrained vision-language embedding space, enabling fairness and diversity guidance without sensitive-attribute annotations. For fairness, pairs of text prompts define attribute directions which guide batch composition towards specific proportions. For diversity, we introduce a score measuring disagreement between the semantic estimates derived from this representation. The formulation supports unconditional and text-conditional diffusion models, while requiring no prior knowledge or data of sensitive attribute. Experiments confirm that our method improves quality and diversity scores at comparable fairness levels.
展开完整摘要收起摘要↓
Although diffusion models produce high-quality images, they also reproduce and amplify demographic imbalances in their training data. Debiasing their generation process post-training w.r.t. some sensitive attribute usually relies on classifier guidance or explicit text extra-conditioning, but this reduces methods' applicability and output diversity. Conversely, methods promoting diversity alone do not ensure fair attribute representation. In this paper, we propose a method tackling fairness and diversity jointly that is generally applicable to any diffusion model and any sensitive attribute. To this end, an adapter connects the frozen diffusion model to a pretrained vision-language embedding space, enabling fairness and diversity guidance without sensitive-attribute annotations. For fairness, pairs of text prompts define attribute directions which guide batch composition towards specific proportions. For diversity, we introduce a score measuring disagreement between the semantic estimates derived from this representation. The formulation supports unconditional and text-conditional diffusion models, while requiring no prior knowledge or data of sensitive attribute. Experiments confirm that our method improves quality and diversity scores at comparable fairness levels.