生成模型理论与方法

Computed tomography (CT) is a critical imaging modality for clinical diagnosis, but reducing radiation dose inevitably introduces severe noise and structured artifacts that degrade image quality. Existing deep learning-based low-dose CT (LDCT) reconstruction methods are typically optimized for fixed dose levels or specific anatomical regions, limiting their robustness and generalization in realistic clinical settings. We propose GenDiff, a generalizable diffusion-based framework for LDCT reconstruction that jointly models continuous radiation dose and anatomical information within a unified reconstruction network. The proposed framework integrates a Dose-Anatomy Encoder to learn acquisition-aware embeddings, a dose- and anatomy-conditioned cold diffusion backbone for iterative refinement, a physics-consistency update to enforce fidelity to the CT forward model, and a Structural Prior Refinement Module (SPRM) that preserves anatomical structures while suppressing dose-dependent artifacts. Extensive experiments on multi-anatomy clinical datasets, including unseen ultra-low-dose conditions as well as out-of-distribution phantom and animal datasets, demonstrate that GenDiff consistently outperforms state-of-the-art convolutional neural network and diffusion-based reconstruction methods. The proposed approach achieves superior reconstruction quality while maintaining strong robustness across different dose levels, anatomical regions, and acquisition domains, making it a promising solution for practical low-dose CT imaging.

While autoregressive models optimize the exact data likelihood via the chain rule, diffusion models are typically trained with denoising objectives. We develop conservation laws based on generalized extrinsic information transfer (GEXIT) functions for a broad class of memoryless noise processes, showing that the data--model cross-entropy (CE) can be characterized exactly as an integral of local information-theoretic derivatives along the noise path. This yields a unified characterization of the likelihood for discrete and continuous diffusion, with the Gaussian case reducing to the well-known mutual information--minimum mean-square error (I-MMSE) relationship. An immediate implication is a locality property: one can compute the information-theoretic derivatives using only the marginal posteriors along the noise path. As a result, training reduces to learning the marginal posteriors by minimizing the negative log-likelihood. While the conservation law implies that the entropy does not depend on the noise path, finite-capacity denoisers approximate the posteriors with varying accuracy across noise types, leading to differences in performance. We validate these predictions on synthetic Markov sources and standard benchmarks, including text8 and CIFAR-10.

Text-to-image diffusion models exhibit unprecedented generative capability and contain rich intermediate representations that can be useful for discriminative vision tasks. Motivated by this observation, we study a focused question: how can the denoising dynamics of a pretrained diffusion model be adapted to support discriminative representation learning while preserving its generative behavior under parameter-efficient updates? We present D$^3$CL as an investigation of this question. Our key observation is that noisy latents at different diffusion timesteps can be interpreted as stochastic views of the same underlying image, enabling a contrastive objective to be coupled with the standard denoising reconstruction loss. This formulation provides a simple way to probe the interaction between generative denoising and discriminative representation learning without training from scratch. To keep the adaptation lightweight, we apply LoRA updates to a pretrained Stable Diffusion backbone while freezing the original model parameters. D$^3$CL provides strong empirical evidence that reconstruction and noise-level contrastive objectives can be complementary: on ImageNet-1K, it obtains 80.1% linear-probing accuracy and an FID of 5.56 for $256 \times 256$ unconditional generation. Additional ablations on the design space suggest that the usefulness of diffusion features depends on where and how denoising states are sampled. These results establish D$^3$CL as a parameter-efficient adaptation framework for pretrained diffusion models, showing that noise-level contrastive learning can structure denoising representations for discriminative tasks while maintaining generative performance.

Three-dimensional (3D) molecule generation has been dominated by diffusion models, which achieve strong generation quality but typically require the molecular size to be specified a priori. Recent autoregressive approaches have substantially narrowed the performance gap while naturally supporting variable-length generation and conditioning on partial molecular context. However, balancing unconditional and context-conditioned generation remains challenging. We introduce KRONOS, a latent autoregressive diffusion framework that generates molecules in the latent space of a pre-trained autoencoder, jointly modeling molecular graph topology and geometry, while retaining the flexibility of autoregressive generation. We further introduce a mixed training strategy inspired by Fill-in-the Middle (FIM) paradigm, enabling both unconditional and fragment-conditioned molecular generation within a single left-to-right autoregressive model. Experiments on QM9 and GEOM-Drugs demonstrate that KRONOS achieves leading unconditional generation performance among autoregressive methods, while remaining competitive with diffusion models. Moreover, fragment-conditioned generation is achieved with negligible impact on unconditional generation performance, demonstrating that both generation paradigms can be supported within a single architecture.

The ability to generate variable-length proteins is crucial in protein design, where the optimal length is often unknown and tightly coupled to designability. Current diffusion- and flow-based generative models typically require the protein length to be specified before sampling, limiting their flexibility in exploring the feasible design space. To address this limitation, we introduce Generalized Poisson Flow (GPFlow), a variable-length generative framework that learns the rate function of an inhomogeneous generalized Poisson process by minimizing its negative log-likelihood. We establish population-level guarantees for recovering the joint multimodal distribution and derive an upper bound on the KL divergence between the data and generated distributions. We comprehensively evaluate GPFlow across structure and sequence design, motif scaffolding, and peptide co-design, spanning Euclidean, categorical, and Riemannian modalities to fully validate its variable-length generation quality. In unconditional design, GPFlow improves structural designability and achieves the best distributional fitness for sequence design compared to their corresponding fixed-length baselines, while perfectly recovering the length distribution. In conditional motif scaffolding, GPFlow ranks first on 10 of 16 structure-based design tasks with significantly more unique successes and also achieves more passed tasks in sequence-based design. In peptide co-design, GPFlow remains competitive even without access to a native-length oracle.

Schedule-Free methods have attracted growing interest for alleviating the burden of designing and tuning a learning rate scheduler, while matching and sometimes even outperforming optimizers with tuned schedulers. Despite their strong empirical results, their convergence theory in nonconvex optimization, where modern machine learning objectives typically arise, has remained largely unexplored. In this paper, we provide worst-case analyses of Schedule-Free gradient descent and Schedule-Free stochastic gradient descent, in their standard form and without auxiliary modifications or restrictive conditions, for smooth but possibly nonconvex objectives. Based on a Lyapunov analysis derived from the continuous-time limiting ordinary differential equation associated with these methods, we show that Schedule-Free gradient descent and Schedule-Free stochastic gradient descent achieve the optimal worst-case convergence rates attainable among first-order methods. We further formulate Schedule-Free gradient descent as a nonautonomous dynamical system and prove strict-saddle avoidance under an arbitrarily small one-time perturbation. These theoretical results provide a better understanding of the strong performance that Schedule-Free methods demonstrate.

Representation alignment (REPA) has been investigated to accelerate diffusion training, but we observe that regularizing intermediate representations in diffusion Transformers (DiT) may implicitly entangle latents and limit generative capacity. To address this issue, we propose ReGen, a hierarchical multi-prompt representation generation framework that jointly estimates multiple vector fields for both representations and data within a single diffusion model. We further introduce generalized flow matching (GFM) to improve the generalization of conditional flow matching (CFM). We validate ReGen on single-stage waveform diffusion models including neural audio codec and Wave-VAE. ReGen significantly improves waveform generation quality from highly compressed latent representations at 12.5 Hz. We also present ReGenVoice, a latent diffusion model (LDM)-based text-to-speech model that achieves strong speech intelligibility (WER) and speaker similarity (SIM) with a small dataset. Moreover, operating the LDM at 6.25 Hz with rich semantic and acoustic latent representation enables efficient training and sampling, requiring only 1 day of training on 4 GPUs and fast inference with an RTF of 0.08. Audio samples are available at https://regenvoice.github.io/demo/.

While large-scale text-to-image generative models have achieved unprecedented visual performance, their inherent reliance on multi-step iterative solvers incurs severe inference latency. Few-step distillation targeting the Classifier-Free Guidance (CFG) trajectory has emerged as the prevalent dual-dimensional compression paradigm. However, existing frameworks remain subjugated by a coarse-grained blind injection paradigm that perpetually enforces a globally static guidance strength while indiscriminately sampling the supervisor timestep. This state-agnostic design completely disregards the intrinsic nature of image generation as a dynamic evolutionary process characterized by progressive entropy reduction, which not only restricts the performance boundary of few-step compression but also precipitates severe CFG over-conditioning artifacts. To transcend these limitations, we re-examine the distillation procedure through the theoretical lens of Information Theory, formally modeling it as a dynamic mutual information game constrained by the Information Bottleneck (IB) principle. Specifically, we dismantle traditional blind assumptions via a dual-track adaptive framework. To determine the injection target, we propose an instance-aware selection mechanism that transmutes the intractable KL divergence constraint into a zero-overhead closed-form solution predicated on the local vector field norm. To regulate the injection strength, we introduce an entropy-aware schedule that dynamically decays alongside the SNR, applying maximal thrust for initial structural anchoring before smoothly reverting to the natural manifold to refine micro-details. Extensive empirical evaluations corroborate that our framework fundamentally eradicates over-conditioning artifacts, shattering the performance ceiling to achieve SOTA generative fidelity under extremely stringent 2-step configurations.

We study the integration of variational quantum circuits (VQCs) into diffusion models through a squeeze-and-excitation (SE) channel-modulation scaffold that isolates the quantum contribution. Using a role-matched classical control and multi-seed significance testing across DDPM and latent diffusion on MNIST and CIFAR-10, with a score-based NCSN study on MNIST, we find that quantum cores achieve comparable mean FID to the classical control across DDPM and latent diffusion, while paired sampling-seed tests for EfficientSU2 detect no statistically significant difference. Although the quantum cores use $4.5$--$9\times$ fewer core parameters than the role-matched control, parameter-matched classical controls attain comparable mean FID, so the experiments do not establish a quantum parameter-efficiency advantage. We further identify a structural failure in score-based NCSN: the unbounded score target, proportional to $1/σ$, drives angle-embedding inputs far beyond the $2π$ period of rotation gates, causing phase aliasing and collapse of the quantum modulator. A bounding transformation, $θ\leftarrow π\tanh(\cdot)$, maps inputs to the non-aliasing domain and substantially improves both quantum cores. Since all circuits are classically simulated at a few-qubit scale, we do not claim quantum advantage. Instead, the study provides a fair-comparison protocol for quantum-enhanced generative models and a mechanistic account of when and why angle embeddings fail.

We study Model Predictive Path Integral (MPPI) control for nonlinear systems with additive process disturbances whose covariance is unknown, spatially varying, and slowly time-varying. A mismatched disturbance covariance produces a persistent penalty in closed-loop stability certificates, while online estimation can reduce this penalty as data are collected. We propose a cell-wise recursive covariance estimator with spatial diffusion and prove a finite-horizon error bound that separates stochastic-approximation error, spatial-smoothing bias, and temporal-drift effects. The diffusion kernel is chosen to be reversible with respect to the stationary visitation measure, making the diffusion operator dissipative in the weighted Lyapunov analysis. We then substitute the resulting covariance estimate into the MPPI sampling distribution and derive an adaptive stability certificate with an explicit learning penalty. The main result is a payoff theorem: after a computable crossover time, the adaptive controller achieves a strictly tighter certified stability bound than any fixed covariance choice whose mismatch exceeds the residual smoothing and drift allowance. Numerical experiments illustrate the estimator convergence and the resulting stability-tightening effect.

Efficient serving of diffusion large language models (dLLMs) is hindered by convergence heterogeneity: when batching multiple requests, different sequences converge at different rates, causing faster requests to stall behind slower stragglers and introducing compute bubbles and tail latency. We present BlockServe, a continuous batching framework that integrates block-grained scheduling — immediately evicting completed requests at block boundaries — with mixed-state execution that extends dual cache and parallel decoding to heterogeneous batches via gather-scatter indexing. Furthermore, a compute-aware admission controller expands effective batch capacity through token-budgeted refill. On Dream and LLaDA across five benchmarks, BlockServe achieves 1.9--10.6$\times$ throughput over Fast-dLLM with comparable generation quality, establishing block-grained scheduling as a foundation for high-throughput offline dLLM inference.

Diffusion unlearning is essential for mitigating the generation of harmful or copyrighted content in text-to-image models. Current diffusion unlearning techniques determine the model update direction by either using alternatives of the target concept as an anchor or using empty prompts. The anchor-based method relies on manually and semantically-chosen anchors that risk biased unlearning, while the anchor-free method inherently suffers from unrobust unlearning due to unconstrained latent updates. In this work, we theoretically formalize such unstable diffusion unlearning issues under the manifold hypothesis and prove that lacking a manifold-proximal anchor inevitably induces significant normal-space drift that degrades unlearning performance. To achieve stable unlearning, we propose \mysysn, a two-stage framework that automatically synthesizes manifold-proximal anchors. However, direct geometric manifold optimization is computationally intractable. To address this challenge, \mysys introduces a novel cross-attention consistency loss which serves as a highly efficient surrogate of manifold proximity. Experimental results demonstrate that \mysys effectively achieves robust and unbiased unlearning across various state-of-the-art baselines, significantly improving targeted concept removal (by up to 31.04% in CLIP score) and non-target utility (by up to 4.18% in CLIP score). Moreover, \mysys can also be easily integrated into existing diffusion unlearning methods to enhance their unlearning performance (by 6.30% for concept removal and 6.65% for utility on average).

Stochastic gradient descent (SGD) is a cornerstone of modern optimization. While its performance under heavy-tailed noise is often addressed through specialized modifications such as gradient clipping or normalization, we investigate a more fundamental question: how does vanilla SGD, particularly with momentum, perform in the presence of heavy-tailed noise? In this paper, we refine existing convergence results for vanilla SGD and, more importantly, provide the first comprehensive convergence analysis of vanilla SGD with momentum for strongly convex, convex, and nonconvex objectives, without employing any gradient control mechanisms. Our results demonstrate that the obtained convergence rates are inferior to the optimal rates achieved by clipped or normalized variants of SGD, thereby revealing inherent limitations of vanilla methods under heavy-tailed noise. The theoretical findings are supported by experiments on synthetic functions.

Quantifying variability in a target population relative to a reference population is central to many scientific and clinical problems (e.g., diseased vs. healthy). Yet, without paired data and in the presence of heterogeneous target variation, existing methods struggle to separate multiple modes of target-specific variation. We propose CASL-VAE, a deep contrastive latent variable model that learns structured latent generative factors from unpaired data. CASL-VAE factorizes variation into continuous common latent factors shared across populations and hierarchical salient latent factors that model target-specific heterogeneity as discrete subtypes and continuous within-subtype variation. Using variational inference, we show how approximate joint likelihood optimization over reference and target domains can be performed using unpaired data, providing a principled basis for paired-sample generation and cross-domain analysis. We validate CASL-VAE on semi-synthetic neuroimaging data, demonstrating improved subtype recovery and paired-sample generation compared to baseline clustering and generative models. We also validate its ability to reveal biologically plausible heterogeneity in Alzheimer's disease.

An important quantity in the theory of gradient descent (GD) is the sharpness, defined as the largest eigenvalue of the objective Hessian. Classical analyses typically require the step size to be uniformly smaller than twice the reciprocal of the sharpness, but this condition is frequently violated in the training of deep neural networks. Recent work bridges this gap in the setting of overparametrised least-squares with a single scalar output, providing a normal form for large-step GD in a neighbourhood of an isolated flat minimum and establishing three corresponding convergence results. In this paper, we extend this theory in two directions: (1) to overparametrised least-squares with vector-valued outputs (including regression with arbitrarily many observations), and (2) to a neighbourhood of a manifold of flat minima (which we show is essential for applications such as matrix factorisation). We generalise both the normal form and all three convergence theorems of \cite{macdonaldeos} to this broader setting, overcoming several technical challenges, including the solution of a singular partial differential equation via a novel method that may be of independent interest. We further show that our framework applies to deep matrix factorisation under mild assumptions, yielding several new structural results. In particular, we prove that the set of flat minima forms a fibre bundle over a product of spheres, and that the sharpness is Morse-Bott along this manifold.

How diffusion models circumvent the curse of dimensionality to learn complex distributions over high dimensional spaces from a finite training set, instead of memorizing it, remains a fundamental mystery. To address this, we introduce analytically tractable Bayesian information restricted diffusion (BIRD) models, in which each pixel observes restricted information about noisy data. A BIRD model time-reverses diffusion by inferring which past training sample produced its current restricted observation using the Bayesian posterior. This model class generalizes existing analytical diffusion models that use spatially local information restriction. We show that spatially local BIRD models closely approximate trained diffusion models early in training, across different architectures such as UNets and DiTs. Under minimal assumptions on the data distribution, we identify an information-theoretic phase boundary between memorization and generalization in the joint space of amount of training data, time in the reverse generative process, and amount of information restriction: a BIRD model memorizes when the mutual information between its restricted noisy observations and the training data exceeds the log number of training points, and it generalizes otherwise. Experiments across a range of datasets confirm our theoretically predicted location for the transition. We find that generation proceeds near the edge of memorization: both spatially local BIRD models and early-training diffusion models track the memorization-generalization phase boundary by increasingly restricting information over time. Overall, our results reveal a fundamental role for information restriction in generative AI to circumvent the curse of dimensionality.

Policy-based approaches to Bayesian experimental design (BED) allow the learning of deep policy networks that adaptively make intelligent design decisions based on previously collected data. However, the training of such policies is often held back by a fundamental challenge: the double intractability of the expected information gain (EIG). This necessitates expensive or complex approximations that restrict the effort one can invest in optimising the policy itself. To address this, we show that the double intractability of the EIG can be isolated from the policy learning by first solving a score matching problem that is independent of the policy used, then using the learned score approximation to train the policy in a singly intractable manner. This turns the key multiplicative cost into an additive one and reduces the computational burden on the policy training itself, making it far cheaper to train the policy multiple times when needed, e.g. for architecture search, hyperparameter tuning, or avoiding local optima. In our experiments we train multiple competitive policies without inducing a multiplicative cost in likelihood evaluations, which can increase performance by allowing us to select the best policy even without performing hyperparameter or architecture searches.

Angular radio maps describe the received-power distribution over the angle of arrival and underpin beam selection and receiver localization in sixth-generation (6G) networks. Predicting the angular power spectrum (APS) from geometry is difficult, because the mapping is ill-posed in non-line-of-sight (NLOS) conditions and must generalize to unseen environments. Distortion-minimizing regressors return the conditional mean, which over-smooths the spectrum and erases the multipath structure that downstream tasks need. We cast the task as a perception-distortion problem and propose RadioDiff-v2, a dual-branch one-dimensional diffusion transformer trained with flow matching. It couples periodic angular encoding, adaptive layer-normalization conditioning, a Fourier angular mixer, and joint velocity and clean-signal heads. A per-metric estimator portfolio reads every deployment quantity from this single model, so that samples carry the distribution, the clean-signal head supplies a regression-grade point estimate, Bayes-optimal rules select beams, and the conditional likelihood localizes the receiver. We prove that a concentrated conditional yields a straight probability-flow trajectory that one step integrates exactly, identifying deterministic transport as the correct inductive bias. On a zero-shot test of 99 environments and one million links, RadioDiff-v2 leads every baseline on every metric, with a 0.39 dB Wasserstein-1 distance, per-bin error below the regression baseline, a 2.43 dB eight-beam NLOS sweep loss, and a 20.6-pixel localization error with four base stations. Code is available at https://github.com/UNIC-Lab/RadioDiff-v2.

Recovering high-quality video from sparse event streams is a challenging task. Regression methods often blur textures, while existing generative models struggle with long-term stability. We propose LongE2V, a novel approach that leverages pre-trained video diffusion priors to jointly handle event-based video reconstruction, prediction, and frame interpolation. By fine-tuning a foundational video model, our approach achieves high data efficiency and superior perceptual quality. We introduce Autoregressive Unrolling and Adaptive Context Switching to mitigate temporal drift in extremely long sequences. We also propose Reencoding Alignment with Cross Residual Correction to ensure precise bidirectional consistency during frame interpolation. Furthermore, Event Voxel Density Augmentation ensures robustness across varying sensor resolutions. Extensive experiments on real-world benchmarks demonstrate that LongE2V outperforms state-of-the-art methods across all three tasks, exhibiting exceptional temporal coherence and zero-shot generalization. Project page: https://cdfan0627.github.io/LongE2V-page/

Score matching controls average error under the forward marginals, but a discretized reverse-time sampler evaluates the learned score along its own trajectory. We show that small forward-marginal error does not guarantee numerical stability. We construct a single smooth score field with arbitrarily small forward-marginal $L^2$ error. The learned reverse-time process is nonexplosive, has moments of every order, and can be arbitrarily close to the exact reverse-time process in path-space total variation. Yet its Euler--Maruyama discretizations converge in probability while every positive moment diverges. Thus weak convergence can hold even though every Wasserstein distance $W_p$, $p\ge1$, diverges. The same failure can occur within one fixed finite neural architecture. We construct a family of bounded, globally Lipschitz denoisers for which both the forward-marginal error and the path-space total variation distance tend to zero, while their Euler--Maruyama endpoints diverge in every $W_p$. For compactly supported data, we also give a simple positive result. Projecting the learned denoiser onto a known bounded closed convex set containing the support preserves pointwise accuracy, gives grid-uniform moment bounds, and yields Wasserstein convergence under mild local regularity. Experiments with a small fixed DiT-style network show large growth along rare numerical trajectories and its suppression by denoiser projection, while overall trajectory errors remain small.

We propose OPSD-V, an on-policy self-distillation paradigm for post-training few-step autoregressive (AR) video diffusion models. Existing few-step AR video generators can produce long videos with low latency, but still suffer from error accumulation and weakened motion dynamics during long autoregressive rollout. OPSD-V reduces long-horizon degradation while preserving the original few-step inference path. The key idea is to introduce real long-video data as temporal context during training and use it to provide dense trajectory-level supervision. Specifically, the student follows the exact inference-time rollout, generating each chunk conditioned on its own previously generated KV cache. In parallel, the teacher is evaluated at the same student-visited denoising states, but uses a cleaner AR-consistent temporal cache in which older history can be replaced by real-video context. This provides dense denoising-level corrective targets under on-policy AR cache dynamics, without changing the sampler, number of denoising steps, or inference-time cache mechanism. We apply OPSD-V to representative few-step AR video models, including Self-Forcing and LongLive. Experiments show consistent improvements in visual quality, motion dynamics, and VBenchLong scores. A user study with 10 participants comparing 20 video pairs shows that OPSD-V is preferred over the base models in 66.0% of overall-preference judgments (82.5% excluding ties).

Deploying classifier-free guidance (CFG) diffusion models under real-world compute budgets requires quantization, yet existing post-training quantization (PTQ) methods treat CFG models as single-branch networks, ignoring the paired conditional/unconditional structure that CFG inference fundamentally relies on. This structural blind spot has two consequences. At the system level, the two-pass CFG execution pattern imposes a latency overhead that parameter-count and bit-operation metrics conceal entirely, and commodity INT8 inference stacks fail to realize the theoretical efficiency gains that BOPs calculations promise. At the algorithmic level, calibrating against the guidance gap alone admits an exact null space: a quantized model can achieve perfect gap-fidelity diagnostics while the unconditional branch drifts arbitrarily, corrupting every guided prediction at inference time. This paper terms this the branch-drift trap, proves its existence analytically, and confirms it empirically through a false-positive result in which the best-calibrated model by standard diagnostics simultaneously produces the worst sample quality. To close the trap, Guidance-Aware Mixed Precision (GAMP) is proposed, which calibrates directly on the guided prediction, derives per-layer activation-bit sensitivity from guided-output degradation, and allocates bits via a greedy knapsack — provably preventing unconditional branch drift by construction.

As part of a series on first-principles modeling of cognitive functions, this paper attempts to provide a mathematical formulation of thinking and perception. It formally derives slow thinking or more generally, active perception, and encompasses the design, training and inference of slow thinking large language models. Our starting point is the lifting and projection of probability distributions on the observable and latent spaces, with the objective of representing complex data distributions by simple function families such as neural networks. A theory called "active lifting" is proposed, based on the sampling of latent sequences and an intrinsic drive to reduce uncertainty with maximum rate. It derives a large design space, containing the slow thinking models in a subspace that we call the static theory. These models are positioned on the representation hierarchy and sampler hierarchy induced by the static theory, and can be upgraded by climbing the two hierarchies. Active lifting further derives an inference process with an internal time axis, and a training objective that resembles minimum-length coding as well as the invention of languages. Thus, it characterizes the agency of perception, including the emergence of the slow thinking formats. Technical by-products of this theory include a three-stage pathway for improving slow thinking models, a unified approach to constructing encoders and generative models for all data modalities, a priori formation of human-like visual representations, and a possible solution to policy collapse.

While accuracy, robustness, and calibration are all essential for reliable neural networks, they are often studied separately; developing models that satisfy all three simultaneously remains a central challenge. Lipschitz-constrained models guarantee robustness by design, yet the manual selection of the Lipschitz constraint L governs the resulting accuracy-robustness trade-off, and their calibration properties remain largely underexplored. In this work, we highlight a theoretical and empirical link between the enforced Lipschitz constraint and Temperature Scaling, a state-of-the-art calibration method. Specifically, we find that for a given training scheme, there exists a non-trivial value L* that yields an out-of-the-box calibrated network, and that calibration acts as a principled criterion to select a well-defined operating point on the accuracy-robustness Pareto front. Leveraging these insights, we introduce Lipschitz Scaling Training (LiST), a novel training paradigm that iteratively adjusts the global Lipschitz constant to reach this operating point. Through a margin parameter in the training loss, LiST further enables the construction of a fully calibrated Pareto front, allowing users to navigate the accuracy-robustness trade-off while remaining calibrated throughout. At convergence, LiST also enables the reintegration of calibration data into training, improving sample efficiency without sacrificing calibration. We validate LiST on CIFAR-10/100 and Tiny-ImageNet, demonstrating competitive accuracy and robustness against constrained and unconstrained baselines, while remaining calibrated out of the box. Code is available at GitHub.

Subject-driven personalized text-to-image generation requires a pretrained diffusion model to acquire a specific subject from a few reference images while preserving subject identity, following novel text prompts, and maintaining sample diversity. Existing optimization-based methods instantiate subject adaptation through full fine-tuning, textual embedding optimization, or low-rank parameter updates; PaRa further constrains personalization from the perspective of parameter rank reduction. However, a uniform low-rank constraint or a uniform adapter strength cannot explicitly distinguish the capacity requirements of different denoising stages. Moreover, inference-time candidate selection driven mainly by identity similarity may compress the selected samples in the visual representation space. We decompose the problem into two complementary components: SPaRa denotes training-side stage-aware low-rank adaptation, DCAL denotes inference-side distribution-calibrated candidate selection, and SPaRa-DCAL denotes the combined framework. Theoretical analysis shows that timestep-dependent scaling controls the effective perturbation magnitude of a low-rank adapter, while identity-biased candidate selection restricts the radius of selected features around the reference center under explicit conditions. Auditable experiments under the SDXL and DreamBooth 30-subject protocol show that DCAL improves 1-LPIPS, CLIP-I, DINO-I, and CLIP-T on a fixed LoRA candidate pool, while revealing a clear trade-off with CLIP/DINO pairwise diversity and pairwise LPIPS. These results indicate that personalized generation should be evaluated through identity consistency, text alignment, and representation diversity rather than identity metrics alone.

While whole-body multimodal medical imaging scanners have been increasingly recognized for more effective medical applications, the excessive long acquisition time in PET-MR scanning is a major obstacle in more efficient clinical practice. Deep learning-based MRI translation provides a potential solution to reduce scan duration. However, current models often focus on specific anatomical regions and face challenges for whole-body scans that consists of highly heterogeneous feature distributions mainly due to (1) different anatomical regions across whole-body, and (2) lesions or pathological tissues. This paper tackles the challenges through a novel Heterogeneity-Adaptive Diffusion Schrodinger Bridge (HA-DSB) framework. By explicitly modeling translation as stochastic transport between source and target distributions, HA-DSB incorporates region context embeddings derived from a vision-language model (VLM) to enable region-specific modeling. To enhance fidelity of the pathological tissue, lesion-aware metabolic prior from PET is integrated directly into the bridge dynamics through a dual-stage guidance mechanism. Specifically, a PET-guided noise modulation module adaptively scales spatial diffusion perturbations during the forward process, while PET features are leveraged during the reverse process to selectively amplify lesion-relevant structures via an attention mechanism. Experiments demonstrate the superiority of our method across different body regions in whole-body MRI translation and show improved translation quality in lesion areas under PET guidance. Our code is available at Github.

We address the problem of efficiently sampling multimodal probability distributions, where standard Markov Chain Monte Carlo methods often suffer from poor mixing and mode trapping. To mitigate these issues, we propose Gradient-free Riemannian Langevin Sampler (GRiLS), a novel proposal that improves exploration without requiring gradient evaluations of the target density. Our approach introduces a Riemannian metric which reshapes the local geometry in order to facilitate transitions across modes. The resulting gradient-free MCMC algorithm is particularly suitable for complex, computationally expensive targets where derivatives are unavailable or impractical. The GRiLS proposal requires knowing the mean and covariance of the target density, which we estimate using an ensemble of interacting particles. Empirical results on multimodal benchmarks demonstrate that GRiLS achieves improved mixing compared to existing gradient-based and gradient-free MCMC approaches.

While generative models enable encoding of complex neuroimaging data for feature generation and reconstruction, developing optimal architectural frameworks with appropriate encoding and latent space processes is crucial for studying structural and functional properties of the brain. We design a multimodal generative framework for structural and functional magnetic resonance imaging (MRI) features through systematic evaluation of encoding strategies, latent multimodal fusion, and generative model selection. Using structural gray matter volume (GMV) and static functional network connectivity (sFNC) features from a large neuroimaging dataset, we analyze generative frameworks involving variational autoencoders (VAEs), transformers, generative adversarial networks (GANs), and diffusion models. Architectures that employ modality-aware graph encoding of functional connectivity into a lower-dimensional latent space outperform vectorized encoders or direct data space approaches. The proposed multimodal graph VAE (gMMVAE) surpasses alternative generative variants across multiple metrics for generation fidelity, reconstruction quality, efficiency, and latent space discriminability, highlighting its potential for robust multimodal neuroimaging analysis.

Generating signals on graphs requires permutation-equivariant models that exhibit stability with respect to relative structural perturbations. While favorable stability properties of Graph Neural Networks (GNNs) have been well documented, it is unclear how structural errors propagate through the dynamics of continuous generative flow models that are gaining traction for graph signal generation. In this paper, we analyze continuous normalized flow models parameterized by GNNs and show that permutation equivariance is preserved for both the resulting continuous-time ordinary differential equations and their discrete numerical approximations used as graph signal samplers. Our primary contribution is to derive explicit stability bounds on the generated probability distributions, which quantify how relative graph perturbations affect the final sampled signals. Motivated by these theoretical bounds, we introduce a stability-promoting regularized flow matching strategy that actively penalizes the spatial Lipschitz constant of the vector field during model training. Experiments using synthetic smooth signals on stochastic block model graphs and real-world fMRI signals on brain connectomes demonstrate that this bound-oriented approach yields generative models that are more robust to structural noise, without sacrificing output quality.

We consider the problem of finding stationary points for stochastic convex optimization problems. Rather than surrogates to stationarity, such as a proximity-to-stationarity guarantee or small gradient of the Moreau envelope, we ask for a stronger notion: that the subdifferential of the objective actually contains a small element. This criterion is non-trivial, because subdifferentials of convex functions fail to converge uniformly, even in arbitrarily small neighborhoods of the optimum. Our convergence guarantees rely on dimension theory to decompose the graph of the subdifferential of a convex function, showing how stochastic sampling preserves "pieces" of these graphs, and allowing effective application of proximal-point-like methods.