Modeling the temporal evolution of macroscopic properties of complex systems is an important scientific task. To predict this evolution without full microscopic simulation, a common approach encodes microstates into compact latent states, learns their evolution, and reads out macroscopic predictions from the latent trajectory. These latent states are often learned through microstate reconstruction. However, with limited latent capacity, reconstruction can favor high-variance microscopic details over information needed for macroscopic prediction. Yet jointly learning latent states and their transition without reconstruction often fails to obtain latent dynamics that support accurate macroscopic prediction. We show that this failure can arise from latent scale collapse: shrinking the latent state scale reduces training loss while macroscopic evolution error remains large. Here, we propose a reconstruction-free framework to learn latent states with their dynamics for prescribed macroscopic prediction. Training alternates between updating the latent representation with the transition and next-state latent targets fixed, and updating the transition with the latent representation fixed. At inference, the trained model predicts macroscopic states recursively from an initial microstate. Our theoretical analysis characterizes reconstruction misalignment and scale collapse under joint training, and gives a sufficient condition for local convergence to correct latent dynamics for our method. Experiments on epidemic spreading on a lattice, mixing of two particle species, and polymer stretching demonstrate that the proposed method achieves substantially better macroscopic prediction over baselines.
展开完整摘要收起摘要↓
Modeling the temporal evolution of macroscopic properties of complex systems is an important scientific task. To predict this evolution without full microscopic simulation, a common approach encodes microstates into compact latent states, learns their evolution, and reads out macroscopic predictions from the latent trajectory. These latent states are often learned through microstate reconstruction. However, with limited latent capacity, reconstruction can favor high-variance microscopic details over information needed for macroscopic prediction. Yet jointly learning latent states and their transition without reconstruction often fails to obtain latent dynamics that support accurate macroscopic prediction. We show that this failure can arise from latent scale collapse: shrinking the latent state scale reduces training loss while macroscopic evolution error remains large. Here, we propose a reconstruction-free framework to learn latent states with their dynamics for prescribed macroscopic prediction. Training alternates between updating the latent representation with the transition and next-state latent targets fixed, and updating the transition with the latent representation fixed. At inference, the trained model predicts macroscopic states recursively from an initial microstate. Our theoretical analysis characterizes reconstruction misalignment and scale collapse under joint training, and gives a sufficient condition for local convergence to correct latent dynamics for our method. Experiments on epidemic spreading on a lattice, mixing of two particle species, and polymer stretching demonstrate that the proposed method achieves substantially better macroscopic prediction over baselines.
Geometric representation learning predominantly scaffolds representations onto flat Euclidean subspaces or compact product tori ($\mathbb{T}^K$). However, flat manifolds possess vanishing curvature and polynomial volume growth, inherently suffering from metric distortion when embedding multi-scale, tree-like visual hierarchies. While hyperbolic spaces ($\mathbb{H}^m$) circumvent this via constant negative curvature ($K<0$) and exponential volume expansion, prior hyperbolic deep architectures are hindered by computationally cumbersome Riemannian optimization, non-linear gyrovector calculus, and floating-point instabilities. In this work, we introduce Minkowski Attractor Networks (MAN), an operator-splitting-inspired framework that embeds representations within pseudo-Riemannian Minkowski spacetime ($\mathbb{R}^{1,m}$). By framing hyperbolic manifolds as quadric level sets, MAN resolves hyperbolic geometry by combining linear Lorentz group transport with non-linear cone lifting and closed-form radial rescaling, evaluating in a single forward pass without numerical ODE solvers or iterative retractions. We establish MAN-2D ($\mathbb{R}^{1,1} \to \mathbb{H}^1$) as our primary, high-throughput visual backbone, which maximizes channel factorization granularity into $D/2$ independent two-dimensional Minkowski blocks. We further formulate MAN-4D ($\mathbb{R}^{1,3} \to \mathbb{H}^3$) as a spacetime extension, leveraging a commuting Cartan-subalgebra parameterization of $\mathrm{SO}^+(1,3)$ to evaluate 4D Lorentz isometries via two commuting 2D planar maps without matrix-exponential overhead.
展开完整摘要收起摘要↓
Geometric representation learning predominantly scaffolds representations onto flat Euclidean subspaces or compact product tori ($\mathbb{T}^K$). However, flat manifolds possess vanishing curvature and polynomial volume growth, inherently suffering from metric distortion when embedding multi-scale, tree-like visual hierarchies. While hyperbolic spaces ($\mathbb{H}^m$) circumvent this via constant negative curvature ($K<0$) and exponential volume expansion, prior hyperbolic deep architectures are hindered by computationally cumbersome Riemannian optimization, non-linear gyrovector calculus, and floating-point instabilities. In this work, we introduce Minkowski Attractor Networks (MAN), an operator-splitting-inspired framework that embeds representations within pseudo-Riemannian Minkowski spacetime ($\mathbb{R}^{1,m}$). By framing hyperbolic manifolds as quadric level sets, MAN resolves hyperbolic geometry by combining linear Lorentz group transport with non-linear cone lifting and closed-form radial rescaling, evaluating in a single forward pass without numerical ODE solvers or iterative retractions. We establish MAN-2D ($\mathbb{R}^{1,1} \to \mathbb{H}^1$) as our primary, high-throughput visual backbone, which maximizes channel factorization granularity into $D/2$ independent two-dimensional Minkowski blocks. We further formulate MAN-4D ($\mathbb{R}^{1,3} \to \mathbb{H}^3$) as a spacetime extension, leveraging a commuting Cartan-subalgebra parameterization of $\mathrm{SO}^+(1,3)$ to evaluate 4D Lorentz isometries via two commuting 2D planar maps without matrix-exponential overhead.
Private Evolution (PE) is a differentially private algorithm for synthetic data generation. While it can be viewed as a Wasserstein learning algorithm, it performs much better in practice than worst-case Wasserstein analyses would predict. We recast PE as generative model-augmented Wasserstein learning. We show theoretically that when we take into account the use of a generative model that is able to capture something about the true distribution, then we can obtain much better performance bounds. For example, if the generator gives samples in the same low-dimensional space as the distribution, then sample complexity depends on intrinsic, not ambient, dimension. We also show that standard variants of PE can fail to converge on simple well-clustered instances, and propose a new geometry-aware version of PE with provable convergence on such instances. Experimentally, we show that our new algorithm is competitive with standard baselines and can improve recall.
展开完整摘要收起摘要↓
Private Evolution (PE) is a differentially private algorithm for synthetic data generation. While it can be viewed as a Wasserstein learning algorithm, it performs much better in practice than worst-case Wasserstein analyses would predict. We recast PE as generative model-augmented Wasserstein learning. We show theoretically that when we take into account the use of a generative model that is able to capture something about the true distribution, then we can obtain much better performance bounds. For example, if the generator gives samples in the same low-dimensional space as the distribution, then sample complexity depends on intrinsic, not ambient, dimension. We also show that standard variants of PE can fail to converge on simple well-clustered instances, and propose a new geometry-aware version of PE with provable convergence on such instances. Experimentally, we show that our new algorithm is competitive with standard baselines and can improve recall.
Quantum Generative Adversarial Networks (QGANs) have emerged as representative generative models in the Noisy Intermediate-Scale Quantum (NISQ) era and have attracted increasing attention in quantum machine learning. However, most existing QGAN methods rely on patch-based decomposition strategies, which weaken the global consistency of generated images and increase quantum resource overhead. In this work, we investigate a simpler approach: pixel-level, end-to-end image generation using a single-quantum-circuit QGAN. By analyzing the structural matching relationship between the quantum prior and the target data distribution in Hilbert space, we provide a new theoretical perspective for understanding the training behavior of naive end-to-end QGANs. Specifically, we introduce the Quantum Fidelity Landscape (QFL), defined as the pairwise-fidelity structure induced by an ensemble of quantum states and preserved under shared unitary transformations of the quantum generation process. We show that, under a fixed Lipschitz readout, this invariant imposes a one-sided bound on decoded sample separation, motivating calibration of the prior-induced QFL before adversarial training. To validate this theoretical insight, we propose BasicQGAN, a QGAN framework incorporating quantum prior calibration. Before adversarial optimization, BasicQGAN aligns the prior-induced QFL with the data-induced QFL. Experimental results on small-scale grayscale image datasets show that BasicQGAN achieves stable and effective end-to-end pixel-level image generation while requiring fewer qubits and trainable parameters than representative patch-based quantum generators. Furthermore, experiments with different initial quantum-state ensembles show that QFL-calibrated ensembles achieve better generative performance.
展开完整摘要收起摘要↓
Quantum Generative Adversarial Networks (QGANs) have emerged as representative generative models in the Noisy Intermediate-Scale Quantum (NISQ) era and have attracted increasing attention in quantum machine learning. However, most existing QGAN methods rely on patch-based decomposition strategies, which weaken the global consistency of generated images and increase quantum resource overhead. In this work, we investigate a simpler approach: pixel-level, end-to-end image generation using a single-quantum-circuit QGAN. By analyzing the structural matching relationship between the quantum prior and the target data distribution in Hilbert space, we provide a new theoretical perspective for understanding the training behavior of naive end-to-end QGANs. Specifically, we introduce the Quantum Fidelity Landscape (QFL), defined as the pairwise-fidelity structure induced by an ensemble of quantum states and preserved under shared unitary transformations of the quantum generation process. We show that, under a fixed Lipschitz readout, this invariant imposes a one-sided bound on decoded sample separation, motivating calibration of the prior-induced QFL before adversarial training. To validate this theoretical insight, we propose BasicQGAN, a QGAN framework incorporating quantum prior calibration. Before adversarial optimization, BasicQGAN aligns the prior-induced QFL with the data-induced QFL. Experimental results on small-scale grayscale image datasets show that BasicQGAN achieves stable and effective end-to-end pixel-level image generation while requiring fewer qubits and trainable parameters than representative patch-based quantum generators. Furthermore, experiments with different initial quantum-state ensembles show that QFL-calibrated ensembles achieve better generative performance.
Text-to-video (T2V) diffusion models can generate realistic depictions of actions such as kicking, stabbing, and shooting, raising safety concerns that motivate targeted concept erasure. Although concept erasure has been extensively studied for static concepts in text-to-image and T2V models, erasing motion concepts remains largely unexplored. We present a systematic study of motion concept erasure in video Diffusion Transformers (DiTs). Through causal interventions, we show that text-conditioning attention carries concept-specific motion information and supports selective intervention, whereas perturbing temporal positional encoding suppresses both target and non-target dynamics. We further find that directly adapting ESD, a representative weight-level image erasure method, to a video DiT yields modest and uneven motion suppression: reducing its erasure training loss does not by itself remove the concept signal from the difference between the conditional and unconditional predictions, which classifier-free guidance (CFG) then scales at every denoising step. From these findings, we derive three requirements for motion concept erasure: concept specificity, spatial selectivity, and temporal naturalness. Each determines one component of MUTE (Motion concept Unlearning in Text-to-video gEneration): at each denoising step, MUTE extracts a concept direction through token neutralization, derives a spatial gate from the direction's intrinsic structure, and subtracts the resulting correction from the velocity output before CFG is applied. MUTE is training-free and requires no weight modification. Experiments on 20 motion concepts show that MUTE outperforms representative prompt-level, weight-level, and inference-time baselines on Wan2.1-T2V, and the same formulation transfers to CogVideoX, supporting its applicability across distinct T2V attention architectures.
展开完整摘要收起摘要↓
Text-to-video (T2V) diffusion models can generate realistic depictions of actions such as kicking, stabbing, and shooting, raising safety concerns that motivate targeted concept erasure. Although concept erasure has been extensively studied for static concepts in text-to-image and T2V models, erasing motion concepts remains largely unexplored. We present a systematic study of motion concept erasure in video Diffusion Transformers (DiTs). Through causal interventions, we show that text-conditioning attention carries concept-specific motion information and supports selective intervention, whereas perturbing temporal positional encoding suppresses both target and non-target dynamics. We further find that directly adapting ESD, a representative weight-level image erasure method, to a video DiT yields modest and uneven motion suppression: reducing its erasure training loss does not by itself remove the concept signal from the difference between the conditional and unconditional predictions, which classifier-free guidance (CFG) then scales at every denoising step. From these findings, we derive three requirements for motion concept erasure: concept specificity, spatial selectivity, and temporal naturalness. Each determines one component of MUTE (Motion concept Unlearning in Text-to-video gEneration): at each denoising step, MUTE extracts a concept direction through token neutralization, derives a spatial gate from the direction's intrinsic structure, and subtracts the resulting correction from the velocity output before CFG is applied. MUTE is training-free and requires no weight modification. Experiments on 20 motion concepts show that MUTE outperforms representative prompt-level, weight-level, and inference-time baselines on Wan2.1-T2V, and the same formulation transfers to CogVideoX, supporting its applicability across distinct T2V attention architectures.
作者Yingquan Wang, Pingping Zhang, Dong Wang, Huchuan Lu
As a fundamental image processing task, object Re-Identification (ReID) aims to retrieve objects across non-overlapping cameras. Recently, with the development of deep learning, significant advancements have been made in object ReID. However, most existing methods suffer from generalization due to the limited size and diversity of ReID datasets. Meanwhile, current models tend to focus on extracting semantic patterns rather than learning identity-aware feature distributions. To address these issues, we propose a novel feature learning framework named DiffReID for object ReID. It leverages a discriminative diffusion model to gradually learn identity-aware distributions and generate identity-invariant features. More specifically, with the Contrastive Language-Image Pre-training (CLIP) model, we first obtain identity-aware text features by prompt tuning. Then, we propose a Vision-guided Noise Generator (VNG) to initialize probabilistic noises and gradually corrupt identity-aware text features. Afterwards, we take visual features as conditions and propose a Light Weight Denoiser (LWD) to denoise the corrupted text features step-by-step for identity-aware distribution learning. To obtain discriminative features, we further generate identity-invariant guided features from randomly sampling visual-guided noises. Finally, we propose a Mutual Enhancement Constraint (MEC) to facilitate mutual learning between visual features and guided features to enhance the representation robustness and discrimination. Extensive experiments on five object ReID benchmarks demonstrate that our method shows better results than most state-of-the-art methods. The source code is available at https://github.com/AWangYQ/DiffReID.
展开完整摘要收起摘要↓
As a fundamental image processing task, object Re-Identification (ReID) aims to retrieve objects across non-overlapping cameras. Recently, with the development of deep learning, significant advancements have been made in object ReID. However, most existing methods suffer from generalization due to the limited size and diversity of ReID datasets. Meanwhile, current models tend to focus on extracting semantic patterns rather than learning identity-aware feature distributions. To address these issues, we propose a novel feature learning framework named DiffReID for object ReID. It leverages a discriminative diffusion model to gradually learn identity-aware distributions and generate identity-invariant features. More specifically, with the Contrastive Language-Image Pre-training (CLIP) model, we first obtain identity-aware text features by prompt tuning. Then, we propose a Vision-guided Noise Generator (VNG) to initialize probabilistic noises and gradually corrupt identity-aware text features. Afterwards, we take visual features as conditions and propose a Light Weight Denoiser (LWD) to denoise the corrupted text features step-by-step for identity-aware distribution learning. To obtain discriminative features, we further generate identity-invariant guided features from randomly sampling visual-guided noises. Finally, we propose a Mutual Enhancement Constraint (MEC) to facilitate mutual learning between visual features and guided features to enhance the representation robustness and discrimination. Extensive experiments on five object ReID benchmarks demonstrate that our method shows better results than most state-of-the-art methods. The source code is available at https://github.com/AWangYQ/DiffReID.
In this thesis I develop methods for statistical inference when the distributions arising from complex biological systems are multi-modal, geometrically structured, and sometimes only defined up to a normalizing constant. I start from variational inference and, when analytic update equations are unavailable, move to black-box variational inference. To build intuition regarding inference challenges and the proposed methodologies, I introduce a novel unnormalized target density (the CoLN distribution) and reuse it as a controlled test case in the kappa. I then trace a trajectory of increasingly expressive approximations: ensembles evaluated with the multiple importance sampling ELBO (Paper A) and variational mixtures that automate component cooperation and exploration (Paper B). Because expressivity comes at a cost, I develop efficient mixture learning ideas, including Monte Carlo objective estimators to scale mixture learning more efficiently (Paper C). As a new result in the kappa, I overturn a three decades long misconception regarding the potential performance benefits of using mixtures in variational inference. Finally, I move from variational inference to flow matching, where I address the need for specialized treatment of interpolant learning in multi-marginal settings (Paper D). By combining insights from Papers A-D, I derive in Section 5.5 a new method: multi-marginal flow matching with mixtures of variational interpolants. I connect these methodological developments to biological applications, with special emphasis on three-dimensional spatial transcriptomics, where stacked tissue slices induce multi-modal dynamics across space.
展开完整摘要收起摘要↓
In this thesis I develop methods for statistical inference when the distributions arising from complex biological systems are multi-modal, geometrically structured, and sometimes only defined up to a normalizing constant. I start from variational inference and, when analytic update equations are unavailable, move to black-box variational inference. To build intuition regarding inference challenges and the proposed methodologies, I introduce a novel unnormalized target density (the CoLN distribution) and reuse it as a controlled test case in the kappa. I then trace a trajectory of increasingly expressive approximations: ensembles evaluated with the multiple importance sampling ELBO (Paper A) and variational mixtures that automate component cooperation and exploration (Paper B). Because expressivity comes at a cost, I develop efficient mixture learning ideas, including Monte Carlo objective estimators to scale mixture learning more efficiently (Paper C). As a new result in the kappa, I overturn a three decades long misconception regarding the potential performance benefits of using mixtures in variational inference. Finally, I move from variational inference to flow matching, where I address the need for specialized treatment of interpolant learning in multi-marginal settings (Paper D). By combining insights from Papers A-D, I derive in Section 5.5 a new method: multi-marginal flow matching with mixtures of variational interpolants. I connect these methodological developments to biological applications, with special emphasis on three-dimensional spatial transcriptomics, where stacked tissue slices induce multi-modal dynamics across space.
Latent Diffusion Models (LDMs) typically adopt a two-stage pipeline: an auto-encoder (AE) is first pre-trained to define a latent space, then a diffusion model is trained to perform denoising within it. Such a two-stage design introduces a representation mismatch, as the latent space is optimized for reconstruction rather than adapting the denoising dynamics. We reveal that the LDM itself is an AE, and consequently present LDM-is-AE, an end-to-end one-stage LDM training framework that eliminates the need for a separately trained tokenizer. Our key observation is that the LDM backbone actually performs a latent-to-feature-to-latent transformation at each denoising step, which can be interpreted as an internal decoding--encoding process. Leveraging this structure, we split the DiT backbone into two reciprocal components, DiT-E (i.e., DiT Encoding) and DiT-D (i.e., DiT Decoding), and impose image-space supervision on the intermediate features across all timesteps. Our model encourages the internal representation to align with the image domain throughout denoising, thereby establishing an explicit latent-to-image-to-latent path. At the zero-noise timestep, our model further performs an image-to-latent-to-image mapping, corresponding to an auto-encoding process. As a result, LDM-is-AE jointly learns latent representations and denoising dynamics in an end-to-end manner, yielding a diffusion-native latent space tailored to the generation process. Experiments demonstrate that LDM-is-AE exhibits highly competitive generation performance, achieving an FID of 1.80 and 1.90 on 256x256 and 512x512 class-conditional image generation, respectively.
展开完整摘要收起摘要↓
Latent Diffusion Models (LDMs) typically adopt a two-stage pipeline: an auto-encoder (AE) is first pre-trained to define a latent space, then a diffusion model is trained to perform denoising within it. Such a two-stage design introduces a representation mismatch, as the latent space is optimized for reconstruction rather than adapting the denoising dynamics. We reveal that the LDM itself is an AE, and consequently present LDM-is-AE, an end-to-end one-stage LDM training framework that eliminates the need for a separately trained tokenizer. Our key observation is that the LDM backbone actually performs a latent-to-feature-to-latent transformation at each denoising step, which can be interpreted as an internal decoding--encoding process. Leveraging this structure, we split the DiT backbone into two reciprocal components, DiT-E (i.e., DiT Encoding) and DiT-D (i.e., DiT Decoding), and impose image-space supervision on the intermediate features across all timesteps. Our model encourages the internal representation to align with the image domain throughout denoising, thereby establishing an explicit latent-to-image-to-latent path. At the zero-noise timestep, our model further performs an image-to-latent-to-image mapping, corresponding to an auto-encoding process. As a result, LDM-is-AE jointly learns latent representations and denoising dynamics in an end-to-end manner, yielding a diffusion-native latent space tailored to the generation process. Experiments demonstrate that LDM-is-AE exhibits highly competitive generation performance, achieving an FID of 1.80 and 1.90 on 256x256 and 512x512 class-conditional image generation, respectively.
作者Arseny Ivanov, Alexander Kolesov, Alexander Korotin, Ivan Oseledets, Mikhail Goncharov
Masked diffusion models (MDMs) generate sequences by progressively unmasking several tokens per denoising step, but their reverse process is typically factorized over positions, limiting sample quality in the few-step regime where diffusion's speed advantage over autoregressive decoding matters most. A recent line of work introduces a continuous Gaussian latent, trained as a variational autoencoder, to capture correlations across positions, but such approaches are prone to posterior collapse, where the latent is silently ignored. We propose Enhanced Mixture-of-Experts (E-MoE), which builds the reverse process as a mixture of factorized distributions over a discrete shared latent given by the expert-routing decisions of a Mixture-of-Experts (MoE) backbone, without increasing active parameters over the factorized baseline. Across synthetic multi-modal benchmarks, binarized MNIST, and LM1B, E-MoE improves few-step generation over factorized baselines.
展开完整摘要收起摘要↓
Masked diffusion models (MDMs) generate sequences by progressively unmasking several tokens per denoising step, but their reverse process is typically factorized over positions, limiting sample quality in the few-step regime where diffusion's speed advantage over autoregressive decoding matters most. A recent line of work introduces a continuous Gaussian latent, trained as a variational autoencoder, to capture correlations across positions, but such approaches are prone to posterior collapse, where the latent is silently ignored. We propose Enhanced Mixture-of-Experts (E-MoE), which builds the reverse process as a mixture of factorized distributions over a discrete shared latent given by the expert-routing decisions of a Mixture-of-Experts (MoE) backbone, without increasing active parameters over the factorized baseline. Across synthetic multi-modal benchmarks, binarized MNIST, and LM1B, E-MoE improves few-step generation over factorized baselines.
作者Rui Han, Min Yang, Xu Zhang, Xinghao Yang, Wei Liu, Yongshun Gong
Diffusion models have recently shown strong potential for probabilistic multivariate time-series forecasting by modeling complex conditional distributions. Recent decoupled diffusion frameworks further separate forecasting into deterministic prediction and stochastic residual generation, making it natural to derive dependency graphs from deterministic representations and use them to guide residual diffusion. However, we show that this direct structural transfer is unreliable. Although deterministic-derived graphs encode useful global dependency priors, they exhibit substantial edge-level misalignment with residual dependency structures, introducing inaccurate or redundant conditions during residual generation. This reveals a previously overlooked deterministic-to-residual structural alignment problem in decoupled diffusion forecasting. To address this problem, we propose GARDiff, a Graph-Aligned Residual Diffusion framework for probabilistic multivariate time-series forecasting. Instead of treating deterministic-derived graphs as fixed diffusion conditions, GARDiff progressively adapts them to residual generation. Specifically, GARDiff estimates residual uncertainty to distinguish high- and low-uncertainty regions, enabling uncertainty-aware structural refinement, and further performs timestep-aware edge sparsification during reverse diffusion to evolve graph conditions from broad dependency aggregation to localized residual refinement. Extensive experiments on six real-world benchmarks demonstrate that GARDiff consistently improves probabilistic forecasting performance and uncertainty calibration over strong baselines.
展开完整摘要收起摘要↓
Diffusion models have recently shown strong potential for probabilistic multivariate time-series forecasting by modeling complex conditional distributions. Recent decoupled diffusion frameworks further separate forecasting into deterministic prediction and stochastic residual generation, making it natural to derive dependency graphs from deterministic representations and use them to guide residual diffusion. However, we show that this direct structural transfer is unreliable. Although deterministic-derived graphs encode useful global dependency priors, they exhibit substantial edge-level misalignment with residual dependency structures, introducing inaccurate or redundant conditions during residual generation. This reveals a previously overlooked deterministic-to-residual structural alignment problem in decoupled diffusion forecasting. To address this problem, we propose GARDiff, a Graph-Aligned Residual Diffusion framework for probabilistic multivariate time-series forecasting. Instead of treating deterministic-derived graphs as fixed diffusion conditions, GARDiff progressively adapts them to residual generation. Specifically, GARDiff estimates residual uncertainty to distinguish high- and low-uncertainty regions, enabling uncertainty-aware structural refinement, and further performs timestep-aware edge sparsification during reverse diffusion to evolve graph conditions from broad dependency aggregation to localized residual refinement. Extensive experiments on six real-world benchmarks demonstrate that GARDiff consistently improves probabilistic forecasting performance and uncertainty calibration over strong baselines.
作者Adhithyan Kalaivanan, Zheng Zhao, Jens Sjölund, Fredrik Lindsten
Inference-time steering adapts pretrained diffusion and flow-based models to new tasks, e.g., to generate samples from a conditional distribution or samples with desired properties, without retraining. This can be formalized as sampling from a reward-tilted generative prior. As exact sampling from this distribution is intractable, guidance-based methods rely on approximations producing biased samples, and sequential Monte Carlo (SMC) methods correct for this bias using importance weights. However, while exact in the large particle limit, SMC suffers from weight degeneracy and particle collapse in practice. We propose interacting particle guidance (IPG), which replaces reweighting with transport. The particles interact through an additional drift, derived from the Feynman--Kac PDE to cancel the reweighting term, and remain unweighted. Choosing the drift in a reproducing kernel Hilbert space yields a closed-form solution that is cheap to compute, with negligible overhead compared to SMC. We demonstrate the method on Gaussian mixtures with known posteriors, and on high-dimensional image inpainting and protein structure inference tasks.
展开完整摘要收起摘要↓
Inference-time steering adapts pretrained diffusion and flow-based models to new tasks, e.g., to generate samples from a conditional distribution or samples with desired properties, without retraining. This can be formalized as sampling from a reward-tilted generative prior. As exact sampling from this distribution is intractable, guidance-based methods rely on approximations producing biased samples, and sequential Monte Carlo (SMC) methods correct for this bias using importance weights. However, while exact in the large particle limit, SMC suffers from weight degeneracy and particle collapse in practice. We propose interacting particle guidance (IPG), which replaces reweighting with transport. The particles interact through an additional drift, derived from the Feynman--Kac PDE to cancel the reweighting term, and remain unweighted. Choosing the drift in a reproducing kernel Hilbert space yields a closed-form solution that is cheap to compute, with negligible overhead compared to SMC. We demonstrate the method on Gaussian mixtures with known posteriors, and on high-dimensional image inpainting and protein structure inference tasks.
Generative models for crystals enable the discovery of novel structures, but scaling all-atom generation to larger systems such as metal--organic frameworks remains challenging. We connect this difficulty to the correspondence problem of particle-space generation. Even on a single fixed target set, index-free permutation-equivariant particle flows require substantially more training for reliable generation as set size and density increase, under both independent and optimal-transport couplings. To resolve this challenge, we introduce GLASS---Global Latent Aggregation with Slot-based Set Decoding, which encodes structures in a permutation-invariant global latent space and learns their distribution via flow matching. A learned-slot decoder constructs all atoms in parallel, removing atom-wise correspondence from generative transport. On MP20, GLASS is competitive with particle-space models, and flow training can reach the validity of the training data at every structure size. On a QMOF subset, GLASS generates MOFs with up to 150 atoms per unit cell without conditioning on building blocks, topology, or composition, and approaches the structural validity of the training data. On both datasets, flow training exposes a validity--novelty tradeoff, and MOF novelty remains limited by autoencoder generalization on the available data. These results show that separating correspondence assignment from generative transport provides a simple route toward high-validity generation of larger atomistic systems.
展开完整摘要收起摘要↓
Generative models for crystals enable the discovery of novel structures, but scaling all-atom generation to larger systems such as metal--organic frameworks remains challenging. We connect this difficulty to the correspondence problem of particle-space generation. Even on a single fixed target set, index-free permutation-equivariant particle flows require substantially more training for reliable generation as set size and density increase, under both independent and optimal-transport couplings. To resolve this challenge, we introduce GLASS---Global Latent Aggregation with Slot-based Set Decoding, which encodes structures in a permutation-invariant global latent space and learns their distribution via flow matching. A learned-slot decoder constructs all atoms in parallel, removing atom-wise correspondence from generative transport. On MP20, GLASS is competitive with particle-space models, and flow training can reach the validity of the training data at every structure size. On a QMOF subset, GLASS generates MOFs with up to 150 atoms per unit cell without conditioning on building blocks, topology, or composition, and approaches the structural validity of the training data. On both datasets, flow training exposes a validity--novelty tradeoff, and MOF novelty remains limited by autoencoder generalization on the available data. These results show that separating correspondence assignment from generative transport provides a simple route toward high-validity generation of larger atomistic systems.
We present a method for generating high quality materials for 3D objects entirely in texture space. We finetune a video diffusion transformer for text-guided material generation, multi-view material generation, and material upscaling. Our key insight is to use the known projection from image space to texture space, enabling the diffusion process to generalize across arbitrary geometries and texture parameterizations. This approach also avoids the view consistency issues inherent in video and multi-view diffusion models. Because texture space is two dimensional, we can reuse the strong priors of pretrained video diffusion models. We apply our method to high quality material reconstruction from posed photos captured under unknown lighting, as well as to text- and image guided material generation. Our method can scale to high resolutions (8K), 100+ input views, and neural material representations. In quantitative and qualitative evaluations we show state-of-the-art results for material generation and reconstruction.
展开完整摘要收起摘要↓
We present a method for generating high quality materials for 3D objects entirely in texture space. We finetune a video diffusion transformer for text-guided material generation, multi-view material generation, and material upscaling. Our key insight is to use the known projection from image space to texture space, enabling the diffusion process to generalize across arbitrary geometries and texture parameterizations. This approach also avoids the view consistency issues inherent in video and multi-view diffusion models. Because texture space is two dimensional, we can reuse the strong priors of pretrained video diffusion models. We apply our method to high quality material reconstruction from posed photos captured under unknown lighting, as well as to text- and image guided material generation. Our method can scale to high resolutions (8K), 100+ input views, and neural material representations. In quantitative and qualitative evaluations we show state-of-the-art results for material generation and reconstruction.
作者Mingfeng Lin, Chengfei Cai, Lin Xu, Chengqian Ma, Yuxiang Wei, Liang Han
Text-to-image users often provide concise and underspecified prompts, whereas generative models benefit from detailed textual conditions for reliable instruction following. Existing systems bridge this gap with Prompt Enhancers (PEs) that rewrite raw prompts at inference time, introducing additional latency and leaving prompt elaboration external to the generator. We instead view enhanced prompts as privileged training information and ask whether their benefits can be internalized. We propose Prompt-Enhanced On-Policy Self-Distillation (PE-OPSD) for text-to-image flow-matching models. During training, a raw-prompt student follows its own generation trajectory, while an enhanced-prompt teacher provides vector-field targets at the states visited by the student. This on-policy supervision distills the behavior induced by enhanced prompts into the raw-prompt student without requiring additional text--image pairs. At inference, both the PE and teacher are removed, and the student generates directly from raw prompts. Across multiple model families, PEs, and benchmarks, PE-OPSD achieves the strongest aggregate prompt fidelity among the evaluated baselines, yields positive aggregate visual appeal gains, and retains the base-model inference efficiency.
展开完整摘要收起摘要↓
Text-to-image users often provide concise and underspecified prompts, whereas generative models benefit from detailed textual conditions for reliable instruction following. Existing systems bridge this gap with Prompt Enhancers (PEs) that rewrite raw prompts at inference time, introducing additional latency and leaving prompt elaboration external to the generator. We instead view enhanced prompts as privileged training information and ask whether their benefits can be internalized. We propose Prompt-Enhanced On-Policy Self-Distillation (PE-OPSD) for text-to-image flow-matching models. During training, a raw-prompt student follows its own generation trajectory, while an enhanced-prompt teacher provides vector-field targets at the states visited by the student. This on-policy supervision distills the behavior induced by enhanced prompts into the raw-prompt student without requiring additional text--image pairs. At inference, both the PE and teacher are removed, and the student generates directly from raw prompts. Across multiple model families, PEs, and benchmarks, PE-OPSD achieves the strongest aggregate prompt fidelity among the evaluated baselines, yields positive aggregate visual appeal gains, and retains the base-model inference efficiency.
Polyak step size (PS) and Armijo line search (ALS) have received increasing attention in stochastic optimization, with encouraging empirical performance and theoretical guarantees. However, their convergence theory for stochastic heavy ball (SHB) methods remains limited. In this work, we develop a unified convergence analysis for SHB equipped with PS and ALS. To this end, we introduce a modified Armijo rule that closely parallels the Polyak step size, together with a decoupling analysis that isolates the historical dependence induced by momentum. For SHB with standard PS and ALS, we establish expected convergence for strongly convex, convex, and non-convex objectives without interpolation or restrictive conditions on the momentum parameter. Under interpolation or strong growth, we further strengthen the results to almost sure rates and last-iterate convergence. Moreover, for general settings beyond interpolation, we prove almost sure convergence to the exact optimum or to stationarity for SHB with diminishing variants of PS and ALS. These results provide a more comprehensive theoretical view of Polyak step size and Armijo line search for stochastic heavy ball methods.
展开完整摘要收起摘要↓
Polyak step size (PS) and Armijo line search (ALS) have received increasing attention in stochastic optimization, with encouraging empirical performance and theoretical guarantees. However, their convergence theory for stochastic heavy ball (SHB) methods remains limited. In this work, we develop a unified convergence analysis for SHB equipped with PS and ALS. To this end, we introduce a modified Armijo rule that closely parallels the Polyak step size, together with a decoupling analysis that isolates the historical dependence induced by momentum. For SHB with standard PS and ALS, we establish expected convergence for strongly convex, convex, and non-convex objectives without interpolation or restrictive conditions on the momentum parameter. Under interpolation or strong growth, we further strengthen the results to almost sure rates and last-iterate convergence. Moreover, for general settings beyond interpolation, we prove almost sure convergence to the exact optimum or to stationarity for SHB with diminishing variants of PS and ALS. These results provide a more comprehensive theoretical view of Polyak step size and Armijo line search for stochastic heavy ball methods.
Simulation-based inference is challenging when many heterogeneous observations must be composed, hierarchical latent structure must be preserved, and the simulator is misspecified relative to observed data. We develop sampling and fine-tuning methods for diffusion-based inference in design-conditional settings, where the same simulator is queried across different experimental conditions $ξ$. We extend compositional score-based inference with a continuous-time diffusion coefficient that accounts for the number of observations, avoiding Jacobian and auxiliary-covariance corrections. We introduce Hierarchical Blockwise Diffusion Sampling (HBDS), which infers shared parameters and group-specific latent states using a single pretrained model, with the hierarchy specified only at sampling time. Together, these methods support variable observation sets and groupings without retraining. To address misspecification, we introduce path-regularized fine-tuning that adapts the learned likelihood to observations and transfers corrections to posterior inference. Using Girsanov's theorem, we quantify path divergence between pretrained and fine-tuned models across experimental designs and interpret it alongside predictive errors to distinguish candidate misspecification correction from unnecessary adaptation. We evaluate compositional sampling on exact-score Gaussian and Simple Likelihood, Complex Posterior benchmarks, HBDS with analytic and learned scores on a controlled hierarchical model, and fine-tuning and localization on a separate analytic model with known design-dependent discrepancy. Finally, we apply the framework to 940 measurements across four cell lines in a mechanistic Bone Morphogenetic Protein signaling model, where fine-tuning improves posterior-predictive accuracy relative to the pretrained model and shifts posterior marginals toward the least-squares reference while retaining spread.
展开完整摘要收起摘要↓
Simulation-based inference is challenging when many heterogeneous observations must be composed, hierarchical latent structure must be preserved, and the simulator is misspecified relative to observed data. We develop sampling and fine-tuning methods for diffusion-based inference in design-conditional settings, where the same simulator is queried across different experimental conditions $ξ$. We extend compositional score-based inference with a continuous-time diffusion coefficient that accounts for the number of observations, avoiding Jacobian and auxiliary-covariance corrections. We introduce Hierarchical Blockwise Diffusion Sampling (HBDS), which infers shared parameters and group-specific latent states using a single pretrained model, with the hierarchy specified only at sampling time. Together, these methods support variable observation sets and groupings without retraining. To address misspecification, we introduce path-regularized fine-tuning that adapts the learned likelihood to observations and transfers corrections to posterior inference. Using Girsanov's theorem, we quantify path divergence between pretrained and fine-tuned models across experimental designs and interpret it alongside predictive errors to distinguish candidate misspecification correction from unnecessary adaptation. We evaluate compositional sampling on exact-score Gaussian and Simple Likelihood, Complex Posterior benchmarks, HBDS with analytic and learned scores on a controlled hierarchical model, and fine-tuning and localization on a separate analytic model with known design-dependent discrepancy. Finally, we apply the framework to 940 measurements across four cell lines in a mechanistic Bone Morphogenetic Protein signaling model, where fine-tuning improves posterior-predictive accuracy relative to the pretrained model and shifts posterior marginals toward the least-squares reference while retaining spread.
Production RL for language models lets the sampler fall behind the learner and repairs the resulting mismatch with a truncated importance weight. We ask how long the sampler can go without a refresh under that correction, and find a cliff: on Qwen2.5-Math-1.5B and GSM8K, importance-corrected GRPO refreshed every 192 updates learns well for 180 steps and then degrades severely in all three data seeds before the refresh arrives. Published remedies for staleness act on the update; we act on the sampler instead. Decoupled cooling draws samples at temperature 0.8 while the learner, the reference model and the importance weights stay at temperature 1, with the behaviour probability recorded from the tempered distribution, so the learner's objective is unchanged. All corresponding cooled runs are stable, and the longer interval keeps what the short one delivered: at the same update budget, a cooled sampler refreshed every 192 steps matches an uncooled sampler refreshed every 96 at the end of training (0.857 for both) and averaged over it (0.79), whereas lowering the learning rate to a safe value ends 3-7 points lower. On Qwen2.5-Math-7B the degradation points at interval 192 predict that an interval of 144 is fatal without cooling and survivable with it; on two data seeds the uncooled runs degrade before their first refresh and the cooled runs pass it and end at 92-93% against 68-81%, with one cooled run degrading transiently late in the second cycle. The benefit has a window: at three times the safe interval and in a high-mismatch MATH setting cooling delays degradation without preventing it, stronger cooling is not better, and cooling without the correction collapses. Sampling temperature is a control on staleness tolerance, and temperature and refresh interval should be chosen together.
展开完整摘要收起摘要↓
Production RL for language models lets the sampler fall behind the learner and repairs the resulting mismatch with a truncated importance weight. We ask how long the sampler can go without a refresh under that correction, and find a cliff: on Qwen2.5-Math-1.5B and GSM8K, importance-corrected GRPO refreshed every 192 updates learns well for 180 steps and then degrades severely in all three data seeds before the refresh arrives. Published remedies for staleness act on the update; we act on the sampler instead. Decoupled cooling draws samples at temperature 0.8 while the learner, the reference model and the importance weights stay at temperature 1, with the behaviour probability recorded from the tempered distribution, so the learner's objective is unchanged. All corresponding cooled runs are stable, and the longer interval keeps what the short one delivered: at the same update budget, a cooled sampler refreshed every 192 steps matches an uncooled sampler refreshed every 96 at the end of training (0.857 for both) and averaged over it (0.79), whereas lowering the learning rate to a safe value ends 3-7 points lower. On Qwen2.5-Math-7B the degradation points at interval 192 predict that an interval of 144 is fatal without cooling and survivable with it; on two data seeds the uncooled runs degrade before their first refresh and the cooled runs pass it and end at 92-93% against 68-81%, with one cooled run degrading transiently late in the second cycle. The benefit has a window: at three times the safe interval and in a high-mismatch MATH setting cooling delays degradation without preventing it, stronger cooling is not better, and cooling without the correction collapses. Sampling temperature is a control on staleness tolerance, and temperature and refresh interval should be chosen together.
Sampling from unnormalized distributions over large discrete state spaces becomes difficult when a multimodal target is far from a tractable reference. We introduce Iterative Exact Discrete Guidance (IEDG), a population-exact, trajectory-wise guidance framework for unnormalized discrete targets. Rather than learn the full reference-to-target correction in one step, IEDG introduces a global Boltzmann tilt along an annealing trajectory. Each stage learns a stage-local posterior correction for an incremental Boltzmann tilt of the current source, while the resulting corrections are accumulated relative to a fixed analytic posterior. At the population optimum, exact stage posteriors recover the correct reverse dynamics, whose exact simulation reproduces the target distribution. IEDG chooses stage increments by relative effective sample size (rESS), which controls Rényi-2 displacement and locally adapts the step size to the thermodynamic geometry of the annealing path. Our stagewise total-variation analysis shows that limited overlap amplifies Bregman fitting error by $1/\sqrt{\mathrm{rESS}}$, while posterior, simulation, and truncation errors enter additively. IEDG improves all distribution-level errors over the neural baselines on ordered, exactly enumerated Ising $4\times4$, while substantially reducing one-shot errors on Ising/Potts $16\times16$ across thermodynamic regimes and attaining the best neural-sampler result on several reported local-statistic and phase-coverage metrics. On Max-Cut, its best-of-512 and average-sample ratios exceed all the baselines. Code and artifacts are available at https://github.com/StillFantasy123/iterative-exact-discrete-guidance.
展开完整摘要收起摘要↓
Sampling from unnormalized distributions over large discrete state spaces becomes difficult when a multimodal target is far from a tractable reference. We introduce Iterative Exact Discrete Guidance (IEDG), a population-exact, trajectory-wise guidance framework for unnormalized discrete targets. Rather than learn the full reference-to-target correction in one step, IEDG introduces a global Boltzmann tilt along an annealing trajectory. Each stage learns a stage-local posterior correction for an incremental Boltzmann tilt of the current source, while the resulting corrections are accumulated relative to a fixed analytic posterior. At the population optimum, exact stage posteriors recover the correct reverse dynamics, whose exact simulation reproduces the target distribution. IEDG chooses stage increments by relative effective sample size (rESS), which controls Rényi-2 displacement and locally adapts the step size to the thermodynamic geometry of the annealing path. Our stagewise total-variation analysis shows that limited overlap amplifies Bregman fitting error by $1/\sqrt{\mathrm{rESS}}$, while posterior, simulation, and truncation errors enter additively. IEDG improves all distribution-level errors over the neural baselines on ordered, exactly enumerated Ising $4\times4$, while substantially reducing one-shot errors on Ising/Potts $16\times16$ across thermodynamic regimes and attaining the best neural-sampler result on several reported local-statistic and phase-coverage metrics. On Max-Cut, its best-of-512 and average-sample ratios exceed all the baselines. Code and artifacts are available at https://github.com/StillFantasy123/iterative-exact-discrete-guidance.
作者Tommaso Martorella, Alexandre Galashov, Felix Krause, Stefan Andreas Baumann, Valentin De Bortoli, Arthur Gretton, Björn Ommer
Distributional Diffusion Models (DDMs) replace the standard mean-prediction denoiser with a distributional denoiser trained via a scoring rule objective, learning a stochastic approximation to $p(x_1 \mid x_t)$ rather than its conditional mean. However, scaling DDMs to modern image-generation settings faces two obstacles: (i) multi-particle training incurs overhead that scales with the number of particles, (ii) DDMs use globally fixed scoring rule hyperparameters, forcing a single trade-off across sampling budgets. We mitigate these limitations by deferring particle expansion to late transformer layers, and the hyperparameter trade-off by introducing time-dependent scoring rule schedules informed by the dynamical regimes of~\citet{Biroli2024}. Combined with a DiT-based latent setup, these changes make DDM training practical on class-conditional ImageNet-$256^2$, achieving 4.48 FID at 4 steps and 2.38 at 50 steps with DiT-XL/2, from a single model trained from scratch in one stage, without a teacher, self-distillation or JVPs. The result is a stochastic few-step generator whose FID does not degrade as the sampling budget grows from 4 to 50 NFE, and the same recipe transfers to text-to-image generation. Code and pre-trained models available at https://github.com/CompVis/iDDM.
展开完整摘要收起摘要↓
Distributional Diffusion Models (DDMs) replace the standard mean-prediction denoiser with a distributional denoiser trained via a scoring rule objective, learning a stochastic approximation to $p(x_1 \mid x_t)$ rather than its conditional mean. However, scaling DDMs to modern image-generation settings faces two obstacles: (i) multi-particle training incurs overhead that scales with the number of particles, (ii) DDMs use globally fixed scoring rule hyperparameters, forcing a single trade-off across sampling budgets. We mitigate these limitations by deferring particle expansion to late transformer layers, and the hyperparameter trade-off by introducing time-dependent scoring rule schedules informed by the dynamical regimes of~\citet{Biroli2024}. Combined with a DiT-based latent setup, these changes make DDM training practical on class-conditional ImageNet-$256^2$, achieving 4.48 FID at 4 steps and 2.38 at 50 steps with DiT-XL/2, from a single model trained from scratch in one stage, without a teacher, self-distillation or JVPs. The result is a stochastic few-step generator whose FID does not degrade as the sampling budget grows from 4 to 50 NFE, and the same recipe transfers to text-to-image generation. Code and pre-trained models available at https://github.com/CompVis/iDDM.
Discrete diffusion models have emerged as a powerful paradigm for solving combinatorial optimization (CO) problems on graphs by learning to sample high-quality solutions. A common inference-time approach is to generate multiple candidate solutions independently and return the best-performing sample, improving solution quality at the expense of an increase in computational cost. In this work, we introduce PT-Denoise, an inference-time procedure that allows these concurrent denoising trajectories to interact through parallel tempering, without requiring retraining or fine-tuning of the underlying denoiser. Our method assigns a temperature to each diffusion process and allows processes to swap temperatures based on their relative performance. This dynamically reallocates promising, low-energy trajectories to colder, more concentrated sampling regimes while allowing higher-energy states to escape local minima through randomized exploration. Experiments on canonical graph-structured CO problems show that our approach consistently improves the quality of the best solution found, while only adding minimal computational overhead.
展开完整摘要收起摘要↓
Discrete diffusion models have emerged as a powerful paradigm for solving combinatorial optimization (CO) problems on graphs by learning to sample high-quality solutions. A common inference-time approach is to generate multiple candidate solutions independently and return the best-performing sample, improving solution quality at the expense of an increase in computational cost. In this work, we introduce PT-Denoise, an inference-time procedure that allows these concurrent denoising trajectories to interact through parallel tempering, without requiring retraining or fine-tuning of the underlying denoiser. Our method assigns a temperature to each diffusion process and allows processes to swap temperatures based on their relative performance. This dynamically reallocates promising, low-energy trajectories to colder, more concentrated sampling regimes while allowing higher-energy states to escape local minima through randomized exploration. Experiments on canonical graph-structured CO problems show that our approach consistently improves the quality of the best solution found, while only adding minimal computational overhead.
作者Arian Komaei Koma, Seyed Amir Kasaei, Aida Aryafar, Matin Ghiasi, Ali Aghayari, Amirhossein Souri, Mohammad Mosayyebi, AmirMahdi Sadeghzadeh, Mohammad Hossein Rohban
Machine unlearning has emerged as a critical post-hoc safety measure to erase sensitive concepts from Text-to-Image (T2I) models without prohibitive retraining. However, we reveal that current state-of-the-art (SOTA) approaches are brittle due to a severe lack of robustness to noise initialization. We call this phenomenon ``probabilistic forgetting'': suppressed concepts re-emerge under specific random initial noise conditions, despite appearing unlearned on other initializations. We trace this failure to the misalignment between standard Gaussian sampling during unlearning and the unlearning objective. Since the target concept manifests only in specific initial noise regions throughout the unlearning phase, uniform random sampling yields sparse, uninformative gradient updates that fail to drive robust erasure. To overcome this issue, we propose an adaptive, concept-conditioned sampling strategy that dynamically concentrates gradient updates on regions where the target concept manifests, down-weighting uninformative areas. We integrate our framework with six distinct SOTA unlearning methods across four diffusion backbones and evaluate it across safety, object, and artistic-style unlearning, as well as under black-box and white-box adversarial attacks. Our method reduces the conditional nudity re-emergence rate across random initializations by 67.2% on average over four baselines and lowers attack success rates across both adversarial evaluations. Across concept domains, Adaptive Noise Sampling strengthens adversarial robustness and non-target retention while preserving competitive generative quality and target-erasure performance.
展开完整摘要收起摘要↓
Machine unlearning has emerged as a critical post-hoc safety measure to erase sensitive concepts from Text-to-Image (T2I) models without prohibitive retraining. However, we reveal that current state-of-the-art (SOTA) approaches are brittle due to a severe lack of robustness to noise initialization. We call this phenomenon ``probabilistic forgetting'': suppressed concepts re-emerge under specific random initial noise conditions, despite appearing unlearned on other initializations. We trace this failure to the misalignment between standard Gaussian sampling during unlearning and the unlearning objective. Since the target concept manifests only in specific initial noise regions throughout the unlearning phase, uniform random sampling yields sparse, uninformative gradient updates that fail to drive robust erasure. To overcome this issue, we propose an adaptive, concept-conditioned sampling strategy that dynamically concentrates gradient updates on regions where the target concept manifests, down-weighting uninformative areas. We integrate our framework with six distinct SOTA unlearning methods across four diffusion backbones and evaluate it across safety, object, and artistic-style unlearning, as well as under black-box and white-box adversarial attacks. Our method reduces the conditional nudity re-emergence rate across random initializations by 67.2% on average over four baselines and lowers attack success rates across both adversarial evaluations. Across concept domains, Adaptive Noise Sampling strengthens adversarial robustness and non-target retention while preserving competitive generative quality and target-erasure performance.
Masked generative models offer parallel token prediction, but accurate parallel sampling must account for dependencies among tokens. When dependencies are unknown, finding safe batches also costs model evaluations. We study whether total evaluations, including discovery, can be sublinear in sequence length $N$; sublinear sequential depth then follows. We consider discrete distributions with hidden forest structure, accessed through a fixed approximate conditional oracle. Under explicit regularity conditions and uniform Hellinger error bounds, for any fixed target accuracy $\varepsilon\in(0,1/8]$ and sufficiently large $N$, our sampler achieves seed-averaged total-variation error at most $\varepsilon$, with total masked-state submissions and sequential depth both bounded by $\widetilde{O}(N^C \varepsilon^{-a})$ for constants $0<C<1$ and $a>0$. These guarantees use polynomial vocabulary size and an edge-response lower bound set by $N$ and $\varepsilon$. The sampler shares evaluations of hypothetical reveals across dependence tests to identify safe parallel batches without requiring full recovery of the hidden forest. A tunable parameter trades probing cost against irreversible commit rounds. In the same class, any admissible irreversible product-commit sampler attaining the same seed-averaged accuracy requires $Ω(N^c \varepsilon^b)$ counterfactual submissions or commit rounds in the worst case, for constants $c,b>0$.
展开完整摘要收起摘要↓
Masked generative models offer parallel token prediction, but accurate parallel sampling must account for dependencies among tokens. When dependencies are unknown, finding safe batches also costs model evaluations. We study whether total evaluations, including discovery, can be sublinear in sequence length $N$; sublinear sequential depth then follows. We consider discrete distributions with hidden forest structure, accessed through a fixed approximate conditional oracle. Under explicit regularity conditions and uniform Hellinger error bounds, for any fixed target accuracy $\varepsilon\in(0,1/8]$ and sufficiently large $N$, our sampler achieves seed-averaged total-variation error at most $\varepsilon$, with total masked-state submissions and sequential depth both bounded by $\widetilde{O}(N^C \varepsilon^{-a})$ for constants $0<C<1$ and $a>0$. These guarantees use polynomial vocabulary size and an edge-response lower bound set by $N$ and $\varepsilon$. The sampler shares evaluations of hypothetical reveals across dependence tests to identify safe parallel batches without requiring full recovery of the hidden forest. A tunable parameter trades probing cost against irreversible commit rounds. In the same class, any admissible irreversible product-commit sampler attaining the same seed-averaged accuracy requires $Ω(N^c \varepsilon^b)$ counterfactual submissions or commit rounds in the worst case, for constants $c,b>0$.
Pixel diffusion models generate RGB images directly, avoiding the bottleneck of an autoencoder, yet their outputs still systematically underrepresent fine-scale natural-image statistics. We show that adversarial learning provides an effective post-training correction for this deficiency. Starting from a pretrained model, we retain its original diffusion or flow-matching objective and add an adversarial loss to the predicted output at non-high-noise timesteps, leaving the model architecture and sampling procedure unchanged. To our knowledge, this is the first systematic study of adversarial post-training for pixel diffusion. Across two pixel backbones, the method jointly improves distribution fidelity, coverage, prompt alignment, and perceptual quality. We further investigate why it works. Frequency-band and power-law analyses show that the original models systematically underproduce natural-image high-frequency content, while adversarial post-training restores this missing spectral power. In contrast, perceptual loss also increases high-frequency content but sacrifices distribution fidelity and prompt alignment. Nearest-neighbor, recall, and matched no-GAN SFT controls further rule out memorization, mode dropping, and additional optimization as simple explanations. Finally, we examine the boundary of this effect. Under the tested latent diffusion configurations, the same procedure does not produce comparable joint gains and adds almost no decoded high-frequency power. These results identify direct output access to the image statistics being corrected as a key factor governing when adversarial post-training succeeds.
展开完整摘要收起摘要↓
Pixel diffusion models generate RGB images directly, avoiding the bottleneck of an autoencoder, yet their outputs still systematically underrepresent fine-scale natural-image statistics. We show that adversarial learning provides an effective post-training correction for this deficiency. Starting from a pretrained model, we retain its original diffusion or flow-matching objective and add an adversarial loss to the predicted output at non-high-noise timesteps, leaving the model architecture and sampling procedure unchanged. To our knowledge, this is the first systematic study of adversarial post-training for pixel diffusion. Across two pixel backbones, the method jointly improves distribution fidelity, coverage, prompt alignment, and perceptual quality. We further investigate why it works. Frequency-band and power-law analyses show that the original models systematically underproduce natural-image high-frequency content, while adversarial post-training restores this missing spectral power. In contrast, perceptual loss also increases high-frequency content but sacrifices distribution fidelity and prompt alignment. Nearest-neighbor, recall, and matched no-GAN SFT controls further rule out memorization, mode dropping, and additional optimization as simple explanations. Finally, we examine the boundary of this effect. Under the tested latent diffusion configurations, the same procedure does not produce comparable joint gains and adds almost no decoded high-frequency power. These results identify direct output access to the image statistics being corrected as a key factor governing when adversarial post-training succeeds.
Diffusion models have achieved remarkable success in generative tasks, but their inherently sequential sampling process introduces a severe computational bottleneck. Recent Parallel-in-Time (PinT) solvers attempt to mitigate this by parallelizing generation across a sliding window of timesteps, advancing the window only when step-wise changes stabilize. However, this overlapping window mechanism forces the network to repeatedly evaluate the same timesteps. When the input variations between iterations are minimal, these redundant evaluations lead to significant computational waste. To address this inefficiency, we propose ParaAnya, an output cache mechanism agnostic to the parallel sampling algorithm that can reduce the number of function evaluations (NFE). ParaAnya caches input-output pairs of diffusion models and reuses the cached output at overlapping timesteps. By dispatching only cache-miss timesteps to GPU workers, our approach eliminates redundant computation while preserving the structure of the underlying algorithms' update rules. We integrate ParaAnya into four representative parallel sampling algorithms and evaluate its performance on Stable Diffusion v1.5. Across four parallel samplers evaluated with DDIM on eight GPUs, ParaAnya provides $1.30$--$2.43\times$ speedups over their uncached counterparts and reduces NFE by up to 70.1%, reaching up to a $5.62\times$ speedup over single-GPU serial sampling while maintaining comparable CLIP scores.
展开完整摘要收起摘要↓
Diffusion models have achieved remarkable success in generative tasks, but their inherently sequential sampling process introduces a severe computational bottleneck. Recent Parallel-in-Time (PinT) solvers attempt to mitigate this by parallelizing generation across a sliding window of timesteps, advancing the window only when step-wise changes stabilize. However, this overlapping window mechanism forces the network to repeatedly evaluate the same timesteps. When the input variations between iterations are minimal, these redundant evaluations lead to significant computational waste. To address this inefficiency, we propose ParaAnya, an output cache mechanism agnostic to the parallel sampling algorithm that can reduce the number of function evaluations (NFE). ParaAnya caches input-output pairs of diffusion models and reuses the cached output at overlapping timesteps. By dispatching only cache-miss timesteps to GPU workers, our approach eliminates redundant computation while preserving the structure of the underlying algorithms' update rules. We integrate ParaAnya into four representative parallel sampling algorithms and evaluate its performance on Stable Diffusion v1.5. Across four parallel samplers evaluated with DDIM on eight GPUs, ParaAnya provides $1.30$--$2.43\times$ speedups over their uncached counterparts and reduces NFE by up to 70.1%, reaching up to a $5.62\times$ speedup over single-GPU serial sampling while maintaining comparable CLIP scores.
作者Song-Li Wu, Xianquan Wang, Zhaocheng Du, Weinan Gan, Jingyi Wang
While the "Matthew Effect" and filter bubbles are widely recognized outcome-level biases in recommender systems, we reveal that Diffusion Recommender Models (DRMs) uniquely compound this issue through their generative dynamics. Rather than merely inheriting data imbalances, DRMs trigger a self-reinforcing amplification of popularity bias. We identify that this phenomenon is driven by two compounding mechanisms. First, while optimization loss is universally dominated by high-frequency items across recommenders, DRMs suffer from a unique structural prior mismatch during generation. Because the forward terminal distribution of long-tailed data deviates significantly from the standard Gaussian prior, reverse sampling trajectories inherently collapse toward high-density popular items, fundamentally suppressing niche item generation. To dismantle this self-reinforcing loop, we propose FairDiff, a plug-and-play fairness-aware diffusion framework. To overcome the popularity-dominated loss, we introduce Popularity Condition Guidance (PCG). Rather than altering the training objective, PCG acts as an inference-time distributional reweighting mechanism, mathematically reshaping the score-based gradient field to penalize high-popularity regions and guide trajectories toward niche semantics. Furthermore, we design a Semantic Calibration (SC) Module to bridge the prior mismatch, aligning the forward and reverse distributions via one-step optimal transport. Comprehensive evaluations demonstrate that FairDiff achieves state-of-the-art performance while effectively mitigating the self-reinforcing Matthew Effect, highlighting its value as a general framework for DRMs.
展开完整摘要收起摘要↓
While the "Matthew Effect" and filter bubbles are widely recognized outcome-level biases in recommender systems, we reveal that Diffusion Recommender Models (DRMs) uniquely compound this issue through their generative dynamics. Rather than merely inheriting data imbalances, DRMs trigger a self-reinforcing amplification of popularity bias. We identify that this phenomenon is driven by two compounding mechanisms. First, while optimization loss is universally dominated by high-frequency items across recommenders, DRMs suffer from a unique structural prior mismatch during generation. Because the forward terminal distribution of long-tailed data deviates significantly from the standard Gaussian prior, reverse sampling trajectories inherently collapse toward high-density popular items, fundamentally suppressing niche item generation. To dismantle this self-reinforcing loop, we propose FairDiff, a plug-and-play fairness-aware diffusion framework. To overcome the popularity-dominated loss, we introduce Popularity Condition Guidance (PCG). Rather than altering the training objective, PCG acts as an inference-time distributional reweighting mechanism, mathematically reshaping the score-based gradient field to penalize high-popularity regions and guide trajectories toward niche semantics. Furthermore, we design a Semantic Calibration (SC) Module to bridge the prior mismatch, aligning the forward and reverse distributions via one-step optimal transport. Comprehensive evaluations demonstrate that FairDiff achieves state-of-the-art performance while effectively mitigating the self-reinforcing Matthew Effect, highlighting its value as a general framework for DRMs.
Forecasting time-varying functional connectivity from electroencephalography (EEG) requires modeling both history-dependent trends and structured variability across channels. Conditional flow matching provides a framework for distributional forecasting, yet it remains unclear whether graph-informed source distributions offer practical advantages over isotropic noise and strong deterministic predictors. We introduce a graph-structured residual flow framework that separates conditional mean prediction from stochastic residual transport. A history-only predictor estimates the future connectivity graph, while a graph Gaussian source encodes dependencies derived from past connectivity through a Laplacian-based covariance. A conditional velocity field transports source samples to future graph residuals, with transport time explicitly distinguished from physical EEG time. Our study identifies the conditions and controls needed to distinguish useful residual transport from improvements attributable to deterministic prediction, learned representations, and sampling effects.
展开完整摘要收起摘要↓
Forecasting time-varying functional connectivity from electroencephalography (EEG) requires modeling both history-dependent trends and structured variability across channels. Conditional flow matching provides a framework for distributional forecasting, yet it remains unclear whether graph-informed source distributions offer practical advantages over isotropic noise and strong deterministic predictors. We introduce a graph-structured residual flow framework that separates conditional mean prediction from stochastic residual transport. A history-only predictor estimates the future connectivity graph, while a graph Gaussian source encodes dependencies derived from past connectivity through a Laplacian-based covariance. A conditional velocity field transports source samples to future graph residuals, with transport time explicitly distinguished from physical EEG time. Our study identifies the conditions and controls needed to distinguish useful residual transport from improvements attributable to deterministic prediction, learned representations, and sampling effects.
Mixture-of-Experts (MoE), popularized by large language models, is a promising paradigm for scaling visual generative models. However, conventional token-wise MoE routes tokens independently within a homogeneous expert pool and regularizes expert usage toward uniformity, making it poorly matched to video data that is spatiotemporally redundant and semantically long-tailed. We show that existing visual MoEs fall into a uniformity trap: semantically under-organized routing, compounded by uniform expert-usage regularization, scatters coherent patches across disparate experts, causing routing fragmentation and structural distortion. To address this, we propose SplitMoE, a split-role sparse architecture that breaks the shackles of uniformity. To accommodate the inherent semantic imbalance, we explicitly bifurcate the expert pool into semantic experts and generic experts, with semantic experts capturing high-level semantic abstraction and generic experts preserving residual visual information and flexible generative capacity. Leveraging prototype-guided routing and pull-push regularization, SplitMoE enables tokens to cluster naturally by semantic attributes rather than arbitrary balancing constraints. Extensive results show that under an equivalent activated-parameter budget, SplitMoE outperforms traditional load-balanced MoEs in convergence speed, routing coherence, and video generation quality across standard benchmarks. By revealing an emergent coarse-to-fine denoising logic, SplitMoE provides the community with a modality-aware scaling path, serving as a critical reference for building large-scale video world models.
展开完整摘要收起摘要↓
Mixture-of-Experts (MoE), popularized by large language models, is a promising paradigm for scaling visual generative models. However, conventional token-wise MoE routes tokens independently within a homogeneous expert pool and regularizes expert usage toward uniformity, making it poorly matched to video data that is spatiotemporally redundant and semantically long-tailed. We show that existing visual MoEs fall into a uniformity trap: semantically under-organized routing, compounded by uniform expert-usage regularization, scatters coherent patches across disparate experts, causing routing fragmentation and structural distortion. To address this, we propose SplitMoE, a split-role sparse architecture that breaks the shackles of uniformity. To accommodate the inherent semantic imbalance, we explicitly bifurcate the expert pool into semantic experts and generic experts, with semantic experts capturing high-level semantic abstraction and generic experts preserving residual visual information and flexible generative capacity. Leveraging prototype-guided routing and pull-push regularization, SplitMoE enables tokens to cluster naturally by semantic attributes rather than arbitrary balancing constraints. Extensive results show that under an equivalent activated-parameter budget, SplitMoE outperforms traditional load-balanced MoEs in convergence speed, routing coherence, and video generation quality across standard benchmarks. By revealing an emergent coarse-to-fine denoising logic, SplitMoE provides the community with a modality-aware scaling path, serving as a critical reference for building large-scale video world models.
Few-step flow-map generators, including MeanFlow and consistency models, enable efficient sampling through long-range transport, yet their on-policy distillation remains underexplored. We introduce FlowMap-OPD, an on-policy distillation framework that separates student-state acquisition from teacher--student distribution comparison. A formulation based on state marginals establishes this separation, while flow--velocity consistency connects local supervision to the deployed long-range map. Within this framework, we develop flow-map, induced-velocity, and instantaneous-velocity distribution supervision, each paired with a separately specified native flow-map rollout. Cross-capacity ImageNet experiments across three teacher rewards identify instantaneous-velocity distribution supervision with independently tunable student consistency as the most effective choice. In text-to-image experiments, FlowMap-OPD demonstrates strong multi-specialist consolidation capabilities and surpasses multi-reward Flow-Map GRPO in task performance and convergence speed.
展开完整摘要收起摘要↓
Few-step flow-map generators, including MeanFlow and consistency models, enable efficient sampling through long-range transport, yet their on-policy distillation remains underexplored. We introduce FlowMap-OPD, an on-policy distillation framework that separates student-state acquisition from teacher--student distribution comparison. A formulation based on state marginals establishes this separation, while flow--velocity consistency connects local supervision to the deployed long-range map. Within this framework, we develop flow-map, induced-velocity, and instantaneous-velocity distribution supervision, each paired with a separately specified native flow-map rollout. Cross-capacity ImageNet experiments across three teacher rewards identify instantaneous-velocity distribution supervision with independently tunable student consistency as the most effective choice. In text-to-image experiments, FlowMap-OPD demonstrates strong multi-specialist consolidation capabilities and surpasses multi-reward Flow-Map GRPO in task performance and convergence speed.
Diffusion models have emerged as state-of-the-art generative models, with recent extensions from Euclidean spaces to Riemannian manifolds. However, existing convergence guarantees for Riemannian diffusion models typically require $\tilde{O}(\mathrm{poly}(d,T)/ε^2)$ score evaluations, with potentially unfavorable dependence on the dimension. In this work, we develop a general framework that separates score discretization from Brownian-motion simulation and allows multiple geodesic random-walk steps per score evaluation. Under nonnegative Ricci curvature assumption and an exact Brownian-motion simulation oracle, we show that $\tilde{O}(d/ε^2)$ score evaluations suffice to achieve an $ε^2$ KL divergence from the target distribution, matching the existing convergence rate of Euclidean diffusion models. We further show that $\tilde{O}(d^4T/ε^2)$ geodesic random-walk steps suffice to approximate the required drifted Brownian motion to $ε$ total variation error. Combining these results yields a sampling scheme with $\tilde{O}(d/ε^2)$ score evaluations and $\tilde{O}(d^4T/ε^2)$ geodesic random-walk steps, motivating multiple random-walk steps between consecutive score evaluations. Our results provide a sharper characterization of the convergence and sampling complexity of Riemannian diffusion models.
展开完整摘要收起摘要↓
Diffusion models have emerged as state-of-the-art generative models, with recent extensions from Euclidean spaces to Riemannian manifolds. However, existing convergence guarantees for Riemannian diffusion models typically require $\tilde{O}(\mathrm{poly}(d,T)/ε^2)$ score evaluations, with potentially unfavorable dependence on the dimension. In this work, we develop a general framework that separates score discretization from Brownian-motion simulation and allows multiple geodesic random-walk steps per score evaluation. Under nonnegative Ricci curvature assumption and an exact Brownian-motion simulation oracle, we show that $\tilde{O}(d/ε^2)$ score evaluations suffice to achieve an $ε^2$ KL divergence from the target distribution, matching the existing convergence rate of Euclidean diffusion models. We further show that $\tilde{O}(d^4T/ε^2)$ geodesic random-walk steps suffice to approximate the required drifted Brownian motion to $ε$ total variation error. Combining these results yields a sampling scheme with $\tilde{O}(d/ε^2)$ score evaluations and $\tilde{O}(d^4T/ε^2)$ geodesic random-walk steps, motivating multiple random-walk steps between consecutive score evaluations. Our results provide a sharper characterization of the convergence and sampling complexity of Riemannian diffusion models.
High-resolution visual question answering often fails because a multimodal model does not acquire the small, spatially localized evidence needed to answer a question. Sequential zooming can recover detail, but it asks the main model to choose a region before obtaining a reliable overview. We introduce VPS, a visual parallel-search framework in which a main agent first invokes grid_search to inspect image tiles in parallel with question-conditioned sub-agents, and then adaptively invokes zoom_in on a precise or merged region. The same interface supports both training-free inference and post-training of the main and sub-agents. Across five benchmark splits and three model sizes, VPS improves mean accuracy over dedicated zoom-only search in 14 of 15 same-model comparisons, with gains up to 8.0 points and especially strong improvements for smaller main models. ZoomBench retains an approximately 3.2-point gain at every tested size. We further develop a supervision pipeline with hint-free verification and a paired role-specific GRPO surrogate for learning the controller and tile-reader roles. SFT improves observed accuracy on all five benchmark splits, including a 4.17-point gain on HR-Bench 4K. Role-specific RL further reshapes search behavior: main-only RL reduces mean tool use from 2.65 to 2.11 with similar pass@1 in an internal four-response evaluation, while external accuracy changes are mixed. Joint training reveals an asymmetry between local evidence reading and global search control. Together, these results support VPS as an effective inference-time scaffold and a trainable decomposition for visual evidence acquisition.
展开完整摘要收起摘要↓
High-resolution visual question answering often fails because a multimodal model does not acquire the small, spatially localized evidence needed to answer a question. Sequential zooming can recover detail, but it asks the main model to choose a region before obtaining a reliable overview. We introduce VPS, a visual parallel-search framework in which a main agent first invokes grid_search to inspect image tiles in parallel with question-conditioned sub-agents, and then adaptively invokes zoom_in on a precise or merged region. The same interface supports both training-free inference and post-training of the main and sub-agents. Across five benchmark splits and three model sizes, VPS improves mean accuracy over dedicated zoom-only search in 14 of 15 same-model comparisons, with gains up to 8.0 points and especially strong improvements for smaller main models. ZoomBench retains an approximately 3.2-point gain at every tested size. We further develop a supervision pipeline with hint-free verification and a paired role-specific GRPO surrogate for learning the controller and tile-reader roles. SFT improves observed accuracy on all five benchmark splits, including a 4.17-point gain on HR-Bench 4K. Role-specific RL further reshapes search behavior: main-only RL reduces mean tool use from 2.65 to 2.11 with similar pass@1 in an internal four-response evaluation, while external accuracy changes are mixed. Joint training reveals an asymmetry between local evidence reading and global search control. Together, these results support VPS as an effective inference-time scaffold and a trainable decomposition for visual evidence acquisition.