Generative Models

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Latest in Generative Models

Sep 22, 2026cs.LG

One-Step Generative Surrogate Models via Block-Triangular Joint Drifting

Drifting provides a direct route to one-step generative models, but applying it directly to stochastic transition modeling requires multiple samples of the next state conditioned on the same current state. Standard trajectory data, however, typically provide only one realized next state for each observed current state and therefore do not provide an empirical approximation of the corresponding conditional distribution over possible next states. We introduce block-triangular joint drifting, which instead applies a projected drift field to the empirically accessible joint distribution of consecutive states. Importantly, the block-triangular architecture preserves the current-state marginal while making its second component a direct sampler of the conditional distribution of possible next states. The resulting surrogate generates stochastic trajectories with one model evaluation per time step, without auxiliary generative steps between time steps. Numerical experiments demonstrate accurate marginal and trajectory-dependent statistics and favorable accuracy-cost tradeoffs compared with deterministic, diffusion-, flow-, and distillation-based generative surrogate models.
Nicholas Geissler, Shreya Jha, Ricardo Baptista +1
Sep 20, 2026cs.LG

Belted Engression: Sufficient Dimension Reduction for Generative Distributional Regression

Modern conditional generative models face significant challenges when learning complex covariate dependencies. While sufficient dimension reduction (SDR) provides a principled approach to compress these dependencies, traditional SDR frameworks were not formulated for conditional generation. To bridge this gap, we propose Belted Engression, a unified and architecturally parameter-efficient framework for generative distributional regression. Our approach establishes an end-to-end compress-then-generate paradigm driven by sufficient representation learning, embedding a structural bottleneck into the generative architecture. Theoretically, we prove that the standard SDR condition is equivalent to a law-preserving generative factorization, which is achieved at the global optimum of the population Belted Engression objective. Furthermore, by uncovering a localized Bernstein-type control for the energy-score loss, we establish finite-sample convergence rates that are sharper than those of existing results. We also prove that this belted architecture is strictly smaller, operating with an asymptotically vanishing parameter count relative to the unstructured baseline. Extensive simulations and real-world applications demonstrate that Belted Engression achieves superior distributional prediction and SDR recovery with fewer trainable parameters.
Wenxi Tan, Bing Li, Lingzhou Xue
Sep 17, 2026cs.AI

PAA: The Probabilistic Allen Algebra: A Generative and Complete Probabilistic Extension of Allen's Interval Relations

Allen's interval algebra is a qualitative calculus for temporal relations, but its thirteen base relations are crisp predicates over exact interval boundaries. This is inadequate for temporal information from language, perception, databases, or uncertain histories, where times, durations, and boundaries are uncertain and expressions such as "just before" or "roughly during" have graded meaning. We develop the probabilistic Allen algebra (PAA): a generative and complete extension in which relation probabilities are derived from distributions over interval boundaries rather than assigned as scores. Time points are Gaussian; intervals have Gaussian midpoints and truncated-Gaussian durations. Every relation is a boundary-ordering predicate in one common probability space: point-point relations reduce to error functions, and point-interval and interval-interval relations to multivariate Gaussian orthant probabilities induced by linear inequalities. Contact relations (meets, starts, finishes, equals) receive positive measure through a tolerance band, and under a single tolerance the thirteen relations form a true partition that recovers crisp Allen as the tolerance vanishes. The construction derives Allen's taxonomy rather than positing it: coarse predicates such as precedence, overlap, and containment are unions of leaves whose probabilities are leaf sums, and this hierarchy is preserved as intervals collapse to points and thirteen relations reduce to five and then three. Each relation further decomposes into correlation-aware temporal primitives in the spirit of CIDOC CRM. The algebra is scale-invariant and separates graded expressions such as "shortly before" from contact relations. All results are Monte-Carlo validated and shipped as an open, tested Python package.
Julian Eggert
Sep 17, 2026cs.CV

Refinement Is Inherently Editable: Training-Free Prompt-to-Prompt Image Editing with Generative Refinement Network

Text-guided image editing must introduce the requested changes while preserving unrelated source content. In training-free editing, diffusion-based editors often use spatial controls whose inaccuracies can leave edits incomplete or alter unrelated regions. Autoregressive-based editors face a further constraint: their fixed decoding order limits revision of earlier decisions. As the first to explore training-free image editing with Generative Refinement Networks (GRN), we observe that its refinement process is inherently suitable for editing and offers a promising way to address these limitations. Motivated by this observation, we introduce RefineEdit, a training-free prompt-to-prompt image editing framework built on the GRN. Our key idea is to couple edit localization with content generation through the global refinement of binary image codes, allowing editing evidence to be revised as the image evolves. More specifically, RefineEdit combines bit routing with two stabilization mechanisms: adaptive spatial freezing and finite bit locking. Bit routing starts from an intermediate source state and uses signed probability differences between the two branches to identify editable positions and bits. It directs selected bits toward editing refinement while anchoring the rest to the evolving source trajectory. Adaptive spatial freezing limits unnecessary expansion of the editing region, while finite bit locking maintains recent bit activations to support continued editing. The overall framework requires no additional training, external masks, or attention control. Across nine editing categories of PIE-Bench, RefineEdit achieves the best background-preservation scores in PSNR, LPIPS, MSE, and SSIM, together with the highest whole-image and edited-region CLIP scores among the evaluated methods. Code is available at https://github.com/mura1n/RefineEdit.
Yulong Chen, Ziqian Zhang, Haoyu Zhang +4
Sep 17, 2026cs.CL

UniPolicy: Unified Objective-Specific Policies for Generative Search Advertising

Search advertising connects user intent with commercial content and plays a critical role in platform monetization. Recent systems typically align pretrained generative models with a single business reward, such as eCPM, or use naive reward fusion for preliminary multi-objective alignment. However, an ideal search advertising system must jointly account for heterogeneous objectives, including relevance, click propensity, and commercial value, to balance user experience and business value while mitigating globally suboptimal performance caused by gradient competition. We propose UniPolicy, an objective-aware multi-policy alignment framework. UniPolicy combines objective-specific prefix tokens, sparse MoE-LoRA routing, and objective-specific residual FFNs to hierarchically decouple parameters within a shared backbone, providing differentiated parameter and policy-expression spaces for different business objectives. It further constructs pairwise preferences from multi-stage behavioral feedback, supplementing the relative preference information in exposed-but-unclicked samples and strengthening the relative advantage of clicked candidates in the generation distribution. At inference, UniPolicy supports parallel, business-customizable multi-policy beam search, flexibly allocating candidate quotas across objectives under a fixed retrieval budget. Large-scale offline experiments show that UniPolicy delivers balanced improvements across multiple metrics while preserving retrieval quality, outperforming single-objective reinforcement learning and naive reward-fusion baselines. In a 7-day online A/B test on a real search advertising system, UniPolicy improves CTR by 0.71%, RPS by 1.58%, and advertising revenue by 1.32%, while maintaining stable serving latency.
Kun Yao, Yuhang Zhou, Yichi Zhang +6
Sep 16, 2026cs.LG

Search at the Cost of Sampling: Nearly-Instant Latent Space Bayesian Optimization

Generative models are increasingly central to many de novo discovery pipelines, in which designs are generated at scale and filtered through virtual screens to determine a set of candidates to experimentally validate. While Bayesian optimization (BO) is a natural fit for this setting, as it uses past evaluations to guide future proposals, the computational overhead required for its sequential decision-making becomes a bottleneck when virtual screens are relatively cheap. We make BO practical in this regime by exploiting the unique combination of a linear model constrained to a spherical domain where high-dimensional latents concentrate. We build off recent work justifying the use of linear surrogates, while deriving nearly closed-form solutions to the surrogate modelling and acquisition problems that exploit spherical symmetry. The result is at least a 100x speedup over state-of-the art baselines, with matching or improved performance across molecular and image generation benchmarks. Altogether, our method makes BO a practical drop-in for de novo pipelines where it was previously too slow to consider.
Donney Fan, Colin Doumont, Aleksandra Kalisz +4
Sep 16, 2026cs.RO

Dreaming the Sound of Contact: Leveraging Video and Audio Generation for Zero-Shot Force-Aware Manipulation and Data Generation

Video generation models have advanced rapidly and can now synthesize plausible videos of robot manipulation from image and text prompts. Recent work extracts robot actions directly from such generated videos, but the result is purely kinematic and lacks force information, causing failures in contact-rich tasks where appropriate contact forces are essential for success. We present a pipeline that jointly leverages generated video and audio to derive motion trajectories and desired-force profiles. The force profile is shaped by the loudness of the generated contact sound, and we execute the resulting force-aware trajectories on a Franka robot using a closed-loop force regulator. We evaluate our pipeline on multiple tasks that require making contact and demonstrate successful zero-shot manipulation where a kinematic-only baseline fails. We also show that the pipeline can be used as a data generation engine to train policies that achieve the tasks in a closed-loop manner. Project website, videos, and dataset: https://dreamingcontactsound.github.io/
Guanhua Ji, Tianyu Li, Dayoon Suh +3
Sep 16, 2026eess.SP

Stable Filters for Generative Modeling of Graph Signals

Generating signals on graphs requires permutation-equivariant models that exhibit stability with respect to relative structural perturbations. While recent graph-aware Schrödinger bridge models incorporate topology information directly into their reference dynamics, it is unclear how perturbations of the graph propagate through these dynamics and affect the resulting generated distributions. In this paper, we analyze the structural stability of graph-aware continuous-time generative models whose drift combines a graph filter with a learned graph neural network. We derive explicit Wasserstein stability bounds that quantify the effect of relative graph perturbations on the generated distributions. Motivated by these bounds, we introduce a principled framework for designing stable graph filters that preserve the smoothing behavior of graph heat diffusion, while boosting structural stability. Experiments on synthetic and fMRI signals show our stable filters enhance structural robustness while matching or exceeding the generative quality of the heat equation baseline.
Martin Schmidt, Gonzalo Mateos
Sep 16, 2026cs.AI

The Uneven Impact of Generative AI on Student Learning: Examining the Roles of Reliance, Evaluation Literacy, and Course Policy in AI-related Courses

Generative artificial intelligence (GenAI) is changing how students learn, yet the roles of course context, cognitive reliance, evaluation literacy, and early reliance remain underexplored. Using survey responses from 118 students across 12 AI-related courses at our institution, we examined differences in GenAI use and perceived learning experiences. We identified four user clusters: high-use students reporting many benefits, light users reporting less reliance and fewer benefits, and two moderate-use groups reporting different levels of benefit. We also found significant differences between free- and premium-version users, single- and multiple-tool users, and students experiencing different instructor policies. In multivariable regression models, academic benefit was associated with early reliance and academic task support; positive impact was associated with cognitive reliance, academic task support, confidence in GenAI reliability, and instructor policy; and negative impact was associated with early reliance and attitudinal change. The association between early reliance and negative impact became stronger as evaluation literacy increased. Finally, perceptions of GenAI-enhanced learning appear to reflect cognitive, performance, and self-efficacy benefits, while concerns about stress and diminished critical thinking are associated with lower perceived learning benefits. These findings suggest that institutions need better policies to address such inequities so that institutions can enable students to benefit from increasingly capable AI systems.
Lydia Manikonda, Mei Si, Sirajam Munira +2
Sep 16, 2026cs.RO

Approximating High Dimensional Self-Motion Manifolds via Deep Generative Models

Self-motion manifold (SMM) characterizes the geometric structure of the infinite inverse kinematic solutions set of a redundant manipulator at a fixed end-effector pose, and its efficient recovery underpins feasible and global optimal motion planning. Existing methods such as null-space continuation and learning-based methods are formulated around the assumption that an SMM is a curve, and do not extend to higher redundancy orders. We instead adopt a probabilistic view: SMMs are the support of the conditional posterior over configurations given a target pose, so that recovering it reduces to sampling from a learned distribution and separating its disjoint components by clustering. The formulation is independent of the manifold dimension and requires no architectural change as the redundancy order grows. In this work, we demonstrate that our method can approximate 1-D SMMs with performance comparable to the latest null-space continuation and learning-based approach, and that it is the first method capable of approximating highly redundant 4-D SMMs in a 7R manipulator for position tasks. Project website: \href{https://github.com/accuracy-maker/high-dimenstional-self-motion-manifold-approximation}{https://github.com/accuracy-maker/high-dimenstional-self-motion-manifold-approximation}
Haitao Gao, Yang Song, Liao Wu
Sep 16, 2026cs.CV

vidax: A Unified JAX Framework for Video Generative Models on Accelerator Meshes

Open-source video generative models ship almost exclusively as PyTorch/CUDA reference implementations. This leaves Cloud TPU pods without a production-ready inference path, despite offering large, cost-effective accelerator memory pools ideal for long-sequence spatiotemporal attention. We present vidax, an open-source JAX/Flax inference engine and zero-copy PyTorch-to-JAX weight translator for modern video generation architectures. vidax covers a diverse set of spatiotemporal models --- including Diffusion Transformers, omnimodal Mixture-of-Transformers, 3D VAEs, text encoders, and native samplers --- with zero PyTorch dependency in the execution path. The framework unifies 1D tensor parallelism with DeepSpeed-Ulysses sequence parallelism on a single JAX sharding mesh, integrates TPU flash-attention kernels, and implements per-layer weight offloading to support reference resolutions that exceed single-device memory. We benchmark compile times, latency, and peak memory utilization on TPU v4-8 hardware, and document real-world numerical bugs surfaced during checkpoint translation. vidax is released open-source as a baseline for JAX and TPU video generation research.
Congyue Deng
Sep 15, 2026cs.LG

Walking the Score Manifold: Continuous-time Generative Dynamics on Learned Data Manifolds

Generative modeling of time-dependent data is typically formulated on a discrete temporal grid, restricting supervision to the observed timestamps in the training data. We instead frame generation as continuous-time evolution on a learned data manifold. To this end, we leverage pretrained score-based models as geometric priors and learn a vector field that evolves data along score-induced interpolation paths. Because these dynamics follow transitions that respect the geometry learned by the score model, they support generation at arbitrary timestamps and temporal super-resolution beyond the discretization of the training data. Moreover, this geometric formulation allows us to train the vector field simulation-free through a regression objective. To improve long-horizon rollout robustness, we introduce an objective that promotes path-relative transverse exponential stability. While motivated by stability theory, it admits a practical interpretation as denoising score matching transverse to the interpolation path. Further, we extend the framework to a probabilistic setting that models a distribution over plausible future trajectories. We demonstrate the method on natural video and scientific dynamical data, including temporal super-resolution, PDE-based spatiotemporal fields, and molecular dynamics. Our results show that score-based priors provide a strong foundation for learning stochastic continuous-time generative dynamics.
Jan Tauberschmidt, Brian B. Moser, Stanislav Frolov +3
Sep 15, 2026cs.LG

LoopSpec: Pipelined Self-Speculative Decoding for Looped Transformers

Looped Transformers achieve strong performance with compact parameter sizes by repeatedly applying a shared stack of Transformer blocks across recurrent depths. However, they incur higher decoding latency than standard Transformer models of comparable parameter size because shared weights are accessed at every recurrent depth. To improve decoding efficiency, self-speculative decoding is particularly well suited to Looped Transformers, as their intermediate recurrent states can directly provide draft predictions without an auxiliary draft model. We therefore propose LoopSpec, a training-free self-speculative decoding framework tailored for Looped Transformers. LoopSpec extracts draft tokens from early recurrent states and operates in a pipelined manner, overlapping draft generation of future tokens with target verification of the current token. To improve draft accuracy without excessive compute overhead, we introduce a selective second proposal from deeper recurrent depth while ensuring lossless decoding under both greedy and sampling regimes. Furthermore, we derive the optimal proposal depths in closed form and show the prediction matches measurement. Across reasoning and coding benchmarks, LoopSpec achieves up to 6.83×\times inference speedup across diverse Looped Transformers.
SangLyul Cho, Langqing Cui, Sehoon Kim +2
Sep 15, 2026cs.RO

Continual Learning for Traversability Prediction with Uncertainty-Aware Adaptation

Traversability prediction is a critical component of autonomous navigation in unstructured environments, where complex and uncertain robot-terrain interactions pose significant challenges such as traction loss and dynamic instability. Despite recent progress in learning-based traversability prediction, these methods often fail to adapt to novel terrains. Even when adaptation is achieved, retaining experience from previously trained environments remains a challenge, a problem known as catastrophic forgetting. To address this challenge, we propose a continual learning framework for traversability prediction that incrementally adapts to new terrains using a generative experience recall model. A key virtue of the proposed framework is two folds: i) retain prior experience without storing past data; and ii) incorporate the uncertainty of the generated samples from the recall model, enabling uncertainty-aware adaptation. Real-world experiments with a skid-steering robot validate the effectiveness of the proposed framework, demonstrating its ability to adapt across a series of diverse environments while mitigating catastrophic forgetting.
Hojin Lee, Yunho Lee, Daniel A Duecker +1
Sep 15, 2026cs.CV

FLAT: Resampling Image and Text into 1D Flexible-Length Aligned Transmodal Tokens for Retrieval and Generation

Traditional multimodal representation learning and generation are two stages: a contrastive or self-supervised visual encoder is trained first, followed by a separate downstream generative model. This setup bottlenecks generative performance behind frozen embeddings. To bridge this gap, we revisit joint multimodal representation learning and generation to produce linearly interpolatable embeddings that are directly consumable by generative decoders. We present FLAT (Flexible-Length Aligned Transmodal representations), a representation pre-training framework that jointly optimizes a shared multimodal encoder alongside downstream text-to-image (T2I) and image-to-text (I2T) decoders. By combining contrastive alignment with bidirectional cross-modal generative objectives, FLAT ensures its representations function as both discriminative semantic descriptors and generative conditions. Architecturally, FLAT maps visual and textual inputs into a unified continuous 1D sequence space, applying nested dropout over prefix-K tokens to enable dynamic output lengths. A single pre-training stage allows FLAT to perform cross-modal retrieval and generation across variable prefix K, achieving a T2I GenEval score of 71.1. Task-specific fine-tuning aligns model performance with state-of-the-art baselines: 83.1 GenEval on T2I generation; 40.5 BLEU-4 and 138.6 CIDEr on MS-COCO image captioning; and Recall@5 scores of 86.8 (I2T) / 75.8 (T2I) on MS-COCO alongside 98.3 (I2T) / 93.6 (T2I) on Flickr30K. Finally, qualitative evaluations demonstrate that FLAT representations natively support linear interpolation, latent space arithmetic, and zero-shot composed retrieval.
Guangyu Sun, Shlok Kumar Mishra, Wentao Bao +8
Sep 14, 2026cs.LG

Generative models for simulation based filtering: Formulations and Empirical Comparisons

This letter presents a unified formulation and a controlled numerical comparison of generative-model approaches to the nonlinear filtering problem. Under this formulation the analysis step is realized by a transport of the forecast distribution to the posterior, the approaches differing only in how that transport is selected and learned. We derive three new filters, based on stochastic interpolants, their deterministic flow-matching limit, and Schrödinger bridges realized through forward--backward SDEs. We develop a two-stage tuning procedure that separates the training of the generative model from its online refinement. The resulting methods are compared against the optimal transport filter (OTF), the Knothe--Rosenblatt filter (KRF), the sequential importance resampling (SIR) particle filter and the ensemble Kalman filter (EnKF), in terms of accuracy, computational time, and sensitivity to ensemble size and state dimension. The results indicate that every generative filter resolves multimodal posteriors that the EnKF and SIR do not, that no single generative framework dominates, the preferred method being set by the available online budget and ensemble size, and that the filters differ in the regularity of the particle trajectories they produce.
Mohammad Al-Jarrah, Wei Deng, Bamdad Hosseini +1
Sep 14, 2026cs.AI

Navigating Sparse Evidence: Agentic Visual RAG via Explicit Context Selection and Consolidation

Visual Retrieval-Augmented Generation (VRAG) empowers models to navigate and answer queries about visually rich documents by retrieving relevant page images as visual evidence and reasoning over their content. However, effectively utilizing this visual evidence is usually impeded by two main challenges. First, answer-relevant evidence is sparse and may be concentrated in a small region of one page or dispersed across multiple pages. Second, existing agentic methods often generate answers based on raw exploration trajectories or compressed textual memories rather than an explicitly organized set of supporting images, making answers susceptible to exploration noise and obscuring the evidence-backed reasoning trace. We argue that the bottleneck lies not only in evidence discovery but also in its preservation and organization before answer generation. We propose SCoRE (Selection and Consolidation for Robust Evidence), a unified agent loop for explicit evidence selection and consolidation. During exploration, SCoRE retains only query-relevant observations and their source pointers in a maintained textual ledger, preserving earlier evidence while keeping the visual context bounded. At termination, it reloads the referenced original images and consolidates the visual evidence for answering, arranging it into a logical sequence. This decouples final reasoning from exploratory trial-and-error while ensuring strict visual grounding via indexed claim-to-image linkages. To enable end-to-end optimization of this unified rollout, our training paradigm combines filtered cold-start trajectory distillation with evidence-aware reinforcement learning, whose reward promotes evidence coverage, consolidation compactness, and answer correctness.
Yucheng Shen, Lingyong Yan, Jiulong Wu +4
Sep 14, 2026physics.data-an

Online local learning for generative thermodynamic computing

Generative thermodynamic computers turn thermal noise into structured data through Langevin dynamics. We train these systems with a local update at each integration step. The reverse-path Onsager-Machlup objective yields a coupling gradient that is a symmetric sum of local residual-state correlations. We apply this gradient immediately rather than accumulating it over a full trajectory. In digital simulations using MNIST prototypes, online and trajectory-batch training reach similar validation losses on fixed noising paths. Models trained online release less heat on average in all five independently seeded pairs, with both models' parameters held fixed during sampling. Auxiliary classifier and nearest-prototype measures change modestly, while pairwise diversity decreases. The response to noise depends strongly on where the errors enter: independent zero-mean errors in the formed updates produce little heat change over a finite range of noise amplitudes, whereas residual offset and temporal correlation have much larger effects. Storing trained couplings requires substantially less precision than resolving deterministic updates during training. Together, these results establish a local online training method and show how update timing, noise structure, and precision affect generative thermodynamic computing.
Huilin Wang, Weibing Deng
Sep 14, 2026cs.LG

Representing Clinical Conditions on Vital Signs from Healthy Individuals using Latent Modeling

Machine learning can be crucial to help scale complex signal processing applications in scenarios such as healthcare. However, these machine learning models need rich datasets to be trained and there are often cases where it is not possible to access representative datasets. In this paper, we propose a deep generative model based on conditional variational autoencoders with the objective of augmenting the vital signs of healthy individuals in a way that mimics the patterns of a certain clinical condition. More specifically, we use a publicly available ICU (Intensive Care Unit) dataset to train our model and then evaluate it using the vital data that we have collected from healthy individuals. Our results demonstrate that the proposed model can not only learn the underlying dynamics of the ICU data but, more importantly, can reshape our collected data from healthy individuals in a way that is aligned with the vital signs of a certain clinical condition. We propose a distance metric that shows how our model can generate samples that are more aligned with the intended clinical labels when compared to the tested baselines.
Rafael Pina, Varuna De Silva, Mindula Illeperuma
Sep 14, 2026cs.CV

Diffusion Trajectory Modeling for Semantic Correspondence

Diffusion models generate images through an iterative diffusion process, and recent studies have demonstrated that the intermediate feature maps produced during this process contain rich visual representations, leading to their adoption across a variety of downstream tasks. However, most existing approaches are limited to either using a single feature map at a specific timestep or aggregating feature maps across multiple timesteps. We observe that intermediate representations in the diffusion process form meaningful trajectories along the time axis. In particular, the representation of each spatial patch evolves progressively throughout the generative process, encoding semantics that are difficult to capture from static snapshots alone. This observation motivates the need to treat diffusion representations as temporally structured trajectories rather than static snapshots. To this end, we propose Diffusion Trajectory Modeling (DTM), a framework that interprets the temporal evolution of each spatial patch as a trajectory and leverages it for semantic correspondence. By effectively modeling patch-wise trajectories generated across multiple timesteps, DTM captures correspondence cues that prior methods are not designed to capture. We further demonstrate empirically that spatially corresponding patches form similar trajectory patterns throughout the diffusion process, suggesting that the temporal axis of diffusion carries semantic information. Experiments on SPair-71k, SPair-U and AP-10K show that DTM achieves strong performance, presenting a new perspective for exploiting diffusion representations from a trajectory-centric viewpoint.
Yusung Choi
Sep 14, 2026cs.SD

Generating the Unheard: Phylogeny-Guided Latent Generation for Ancestral Sound Reconstruction

What did an ancestral bird species sound like? Existing ancestral state reconstruction methods can infer low-dimensional traits such as morphological characters at internal nodes of a phylogenetic tree, but no one has tried to produce rich perceptual signals such as audio. Some of the challenges include inferred representations that are either too low-dimensional to decode or lie in non-generative feature spaces, so no method to date can produce ancestral audio. We introduce the first framework that generates plausible ancestral vocalizations. Our pipeline encodes bird recordings into a VAE latent space, learns a low-dimensional trait projection aligned with phylogenetic distances, performs ancestral inference in this trait space, and recovers decodable latents through an anchored inverse lift before emitting novel waveforms for each ancestral node. Because the entire pipeline stays within a decodable latent space, every internal node receives a genuinely new audio output representing plausible intermediate ancestral sounds unavailable to retrieval-based alternatives. Experiments on two phylogenetically distant bird clades, 21-species Tyrannidae and 19-species Paridae, show that our method is the only approach that simultaneously achieves genuine generation, phylogenetic consistency, and naturalistic audio quality across both datasets.
Tianyi Xu, Shrinaath Narasimhan, Evan Gorstein +3
Sep 14, 2026cs.LG

ProtoGuide: Prototype-Driven Guidance for Class-Conditional Graph Generation

Discrete diffusion models are a prominent family for graph generation, but standard class-conditional mechanisms embed the class signal in the denoiser during training, tying the conditioning mechanism to the trained model. Classifier guidance avoids this coupling in continuous domains by steering a frozen model with a classifier's gradient, but discrete graph diffusion samples discrete edge states, so gradients cannot propagate through the sampled graph. We introduce ProtoGuide, a post-hoc, backbone-agnostic framework that recovers an analogous mechanism. At each reverse step the denoiser's per-edge output is relaxed into a differentiable soft adjacency, embedded by a frozen Siamese graph neural network, and scored against a target-class prototype and its nearest competitor; the resulting per-edge gradient, damped by a cosine schedule, is injected back into the denoiser output. All components stay frozen, so guidance is retargeted by supplying a different prototype. On five classes of real-world networks and two architecturally different backbones, EDGE and DiGress, ProtoGuide raises macro classification accuracy from 50.7% to 73.5% and from 73.6% to 83.8%, and outperforms DiGress's built-in conditional training under our configuration. Gains are largest where the unguided models are weakest, and are not uniform across classes. Per-graph coverage remains high in most settings, while distributional effects are class-dependent. A Best-of-N selection baseline matches this accuracy given enough oversampling, but at a substantial cost in graph diversity. An independently initialized classifier, a directionality test, and a few-shot analysis support target-directed steering and robustness to very small support sets.
Salvatore Romano, Marco Grassia, Pietro Liò +1
Sep 14, 2026cs.LG

Convergence rates for generative drifting flows: fixed-scale obstructions and multihead acceleration

Drifting models offer a promising route to faster generative AI: they perform gradual transport during training, while generating new samples in a single step. This paper asks whether the underlying drifting process can converge rapidly to a target distribution under ideal conditions, before finite-data or optimization effects are introduced. We show that its convergence rate depends critically on how it handles spatial scale. With a single fixed resolution, fine-scale features of the target can become nearly invisible, leading to extremely slow convergence. We introduce a multihead approach that combines scale-normalized information across a continuum of resolutions. We prove that this multihead approach restores exponential convergence near standard reference distributions. These results identify fixed resolution as a key bottleneck and provide a simple route to faster one-step generative models.
Arthur Stéphanovitch, Eddie Aamari
Sep 14, 2026cs.SD

DriftSE: Speech Enhancement with Generative Drifting

We propose DriftSE, a novel one-step generative framework for speech enhancement formulated as a latent distribution equilibrium problem. During training, the drifting field aligns the generator's pushforward distribution with the clean speech manifold through drifting in a latent domain. During inference, the drifting process is discarded, enabling one-step generation. We establish that its enhancement quality depends fundamentally on the choice of latent representation. Semantic latents preserve phonetic structure but fail to capture physical acoustic cues, whereas acoustic latents reconstruct the physical signal but risk linguistic hallucination. Therefore, we introduce dual-latent drifting, performing parallel drifting in both semantic and acoustic latents to simultaneously preserve phonetic intelligibility and acoustic fidelity. Additionally, we demonstrate that DriftSE enables fully unpaired training by aligning latent distributions rather than exact point-wise targets. Consequently, DriftSE facilitates cross-dataset learning in the absence of paired noisy-clean samples. Moreover, DriftSE exhibits broad architectural flexibility across different generator backbones. Extensive evaluations on additive denoising and convolutive dereverberation demonstrate robust one-step enhancement across both offline and real-time causal settings. Notably, DriftSE achieves state-of-the-art word error rates across all four evaluated datasets while strictly operating at 1 NFE. Code and audio examples are available online.
Liang Xu, Diego Caviedes-Nozal, W. Bastiaan Kleijn +2
Sep 14, 2026cs.AI

T-GADE: Thermodynamical Generative-AI-Driven Evolution of LLM Artifacts

Integrating evolutionary computation and large language models (LLMs) requires control of population diversity as well as generative capability. Among LLM outputs, those with explicit structure, such as a description paired with code, are structured artifacts; we use artifact for short. We propose T-GADE, which evolves these artifacts by extending thermodynamical genetic algorithms through LLM-based genetic operators and artifact-level diversity evaluation. A common free-energy objective supports generational and steady-state updates, with Fermi-type occupancy excluding repeated genotypes and Bose-type occupancy permitting them. We establish exact one-member removal and conditions for recovering the zero-temperature survival rule of Evolution of Heuristics (EoH). On the online bin-packing task studied in the EoH paper, excess measures relative bin-count overhead above a volume lower bound. Training excess uses search instances; transfer excess uses instances with another bin capacity. Generational Bose-type T-GADE at T=0.003T=0.003 reduced median training excess by approximately 29%, from 1.152% to 0.815%, over 20 runs per configuration (two-sided Mann-Whitney p=0.042p=0.042, Cliff's δ=0.378\delta=0.378). Validation selection among its two highest-ranked final candidates reached the same median transfer excess as EoH, 0.496%. These results demonstrate the utility of thermodynamical selection and validation-based use of retained artifacts.
Kyoko Ogawa, Naoki Mori
Sep 14, 2026physics.soc-ph

Assessment of Non-Institutional AI Tool Usage Among Clinicians

Generative artificial intelligence (AI) tools are increasingly accessible and have the potential to improve efficiency across clinical workflows. However, clinicians may also use non-institutional AI tools that are not provided, managed, or governed by their healthcare institutions, creating potential concerns related to privacy, security, accuracy, and clinician-AI interaction. Little is known about how clinicians currently use these tools for work-related tasks. We conducted a descriptive survey of clinicians recruited from the University of Arizona College of Medicine-Tucson and Banner University Medical Center-Tucson between May 20 and June 26, 2026. Participants reported their use of AI tool categories and the frequency with which they used AI for specific tasks across five workload categories: administrative work, clinical work, research, studying/continued education, and teaching. Forty-four respondents completed the survey. Forty-three respondents reported using AI for at least one work-related task during the preceding 6 months. Conversational AI and clinical decision support/diagnostic AI were the most used tool categories, each reported by 28 respondents. Administrative and clinical tasks demonstrated the most frequent use. AI was also used for higher-risk activities, including diagnostic assistance and clinical decision support. Non-institutional AI use was common among surveyed clinicians and extended across a broad range of work-related activities, including tasks with potential implications for clinical reasoning and patient care. Further research is needed to characterize how clinicians use these tools, how they evaluate AI-generated outputs, and how AI can be safely and effectively integrated into clinical workflows.
Sarah Pungitore, Jarrod Mosier
Sep 14, 2026physics.ins-det

Fast BIB simulation at a future Muon Collider with generative machine learning

Beam-induced background (BIB) from muon decay products will be an overwhelming and unavoidable background at a future Muon Collider. In order to develop robust event reconstruction algorithms, we need large amounts of accurate BIB simulation to test on. BIB simulation is currently compute-limited: the simulated sample presently used for BIB overlay, which statistically represents approximately 10%10\% of a single unique event's worth of simulated BIB, requires on the order of 10610^6 HS23\cdothours to generate and occupies approximately 100100 GB on disk. In this work, we develop the first machine learning models for fast BIB generation in tracking detectors. We consider two classes of architectures: a slower but higher-fidelity tabular diffusion model, and a faster but lower fidelity circular spline flow model. We find that both classes of architectures produce BIB hits and tracks that closely resemble those of available full simulation hits and tracks, and that the machine learning models can produce BIB in over an order of magnitude less time than what is needed to produce full simulation BIB. We release the model weights with the paper so that the Muon Collider community can use these fast BIB hits for future R&D.
Radha Mastandrea, Shiyu Peng, Benjamin Rosser +1
Sep 14, 2026cs.AI

GLARE: Generative Learning via Adversarial Reward Estimation For Social Dynamics Forecasting

Meeting continuation requires tracking the agenda, speaker roles, participant intentions, and disagreement across long multi-party discussions. We introduce the Meeting Dynamic Forecasting Benchmark (MDFB), constructed from 2,207 real-world meetings and 24,794 future-facing queries. Given a transcript prefix and an active question, a model generates a plausible multi-turn continuation in one call. We evaluate utility---progress toward the question---and human-likeness---plausible conversational flow and role consistency---without requiring exact reproduction of the observed future. We further present GLARE, an adaptation of adversarial imitation learning to conditional language generation. A discriminator ranks the observed continuation above samples from the current actor, and its score supplies a KL-regularized policy reward; retraining on current-policy negatives allows the reward landscape to evolve with the actor. GLARE attains average human-evaluated win rates of 0.66 on utility and 0.70 on human-likeness, outperforming SFT and SPIN while remaining below the observed human continuation. We also demonstrate MDFB as a social reasoning arena for comparing general-purpose models, including closed-source systems, through reference-assisted judgments. Together, these studies illustrate the benchmark's use for both task-specific learning and output-based evaluation of meeting behavior.
Tenghao Huang, Zhaoxuan Tan, Muhao Chen +5
Sep 14, 2026cs.AI

OneLA: Scaling Linear-Attention Decoding to Large Beams in Generative Recommendation

Generative recommendation (GR) relies on large-beam decoding to generate hundreds of candidate items, creating a new scaling challenge for recurrent linear attention. Existing linear attention serving systems either materialize a full recurrent state for every beam or repeatedly replay shared history, incurring substantial memory and traffic overhead. To address this, we present OneLA, a linear-attention decoding framework that exploits the shared prompt and short divergent suffixes of GR workloads. Specifically, OneLA represents all beam states using a single shared prompt-derived state and compact, append-only records of their divergent transitions. Using this representation, OneLA computes only the state information required at each decoding step, without reconstructing a full recurrent state for every beam. Furthermore, OneLA uses a lightweight ancestry index to track the transition records that make up each beam's history, allowing beams to be updated without moving or copying existing records. A fused GPU kernel further reuses the shared state across beams. Our analysis shows that OneLA achieves 1.54-2.46x end-to-end decode speedups while substantially reducing recurrent-state memory use and data movement.
Xiangrui Yang, Cheng Peng, Yunfeng Zhao +9
Sep 14, 2026cs.CV

RAIN: Region-Aware Inversion Network for Semantic Watermark Extraction

Semantic watermarks for diffusion models embed ownership information into the generative process while preserving perceptual quality, but Gaussian-Shading extraction conventionally requires multi-step diffusion inversion to recover the initial noise. Recent one-step methods show that this cost can be reduced substantially. We study this problem through extended flow matching and conditional regression. The key observation is that, near the high-SNR image endpoint, recovering a useful noise statistic given by the first-step output of the extended flow matching in the high-SNR regime is much simpler than reconstructing the full inverse trajectory, and Gaussian Shading only requires the recovered latent to remain in the correct watermark decision region. Based on this observation, we propose a lightweight, prompt-free extractor that decomposes endpoint recovery into an image-like anchor and a noise-oriented residual, which increases the capability of the model to utilize GPU parallel computation. The resulting method avoids iterative inversion and repeated evaluation of a diffusion-scale U-Net, providing an efficient one-step extraction pipeline with a concise theoretical interpretation. The computational cost of extracting noise is lower than that of both OSI and FARI. The github repo is there: https://github.com/TheLovesOfLadyPurple/RAIN-lightweight-NN-for-one-step-semantic-watermark-extraction
Zilai Li
Sep 12, 2026stat.ML

Generative Marketing Mix Modeling: A Causal Inference Framework Linking GEO and GEM to Business Impact

Generative artificial intelligence changes how firms reach customers, but standard marketing data do not record how often users see and notice a firm's name in generated answers. We develop Generative Marketing Mix Modeling (GMMM) to estimate the causal effects of Generative Engine Optimization (GEO) and Generative Engine Marketing (GEM). For GEO, GMMM combines repeated generated answers with question counts, shares of use across generative systems, and notice probabilities. For GEM, it combines records of sponsored placements with notice probabilities. GMMM compares expected business responses under alternative treatment sequences and establishes sufficient conditions for identifying the resulting effects. We investigate the empirical performance of the proposed method using simulated answers to product recommendation in English and Japanese.
Masahiro Kato, Daiki Honma, Taka Kato
Sep 12, 2026cs.CV

Learning Interaction between Image and Layout Priors for Joint Image-Layout Generation in Design Templates

In this paper, we address the problem of graphic design template creation, which generates a background image and a layout of foreground elements over the background to form a harmonious composition from an input text. Prior work on graphic design generation mostly adopts a sequential paradigm, where design elements are generated sequentially. We argue that such a sequential scheme falls short of faithfully capturing the dependency between the background and layout (and thus the joint image-layout distribution), which limits the quality of generated design templates. To overcome this limitation, we propose a model, InterIL, which jointly generates the two modalities, background image and layout, in a single generative process. The novel design of our joint model connects the backbones of pretrained image and layout diffusion models with a learnable communication module to explicitly model bidirectional image-layout interaction. During training, the image and layout backbones are frozen to maintain and leverage the vast pretrained single-modality prior knowledge, while only the communication module is updated, so that the model can focus on learning image-layout interaction and thereby better capture the joint image-layout distribution for improved composition harmony. Our model has no design-specific inductive bias, which allows it to better preserve the original characteristics of realistic designs. We further introduce a test-time guidance strategy to enable users to impose their specific preferences on generated results. Our experiments show that, compared with prior approaches, our model can generate significantly better results in terms of image, layout and image-layout harmonization, producing outputs closer to real samples. We also demonstrate the flexibility of our model in enforcing user preferences at inference without retraining.
Shirong Yang, Bo Yang, Ying Cao
Sep 12, 2026cs.AI

MindTopo: Can Foundation Models Reason in Topological Space?

Spatial reasoning depends not only on metric properties such as distance, angle, and shape, but also on topological relations that remain invariant under continuous deformation. Cognitive science identifies these relations as foundational to spatial understanding, yet foundation-model evaluations largely focus on metric or viewpoint-dependent relations. We introduce MindTopo, a benchmark of topological intuition across five properties grounded in cognitive science and formal topology: continuity, separation, order, enclosure, and knots. MindTopo evaluates each property at two cognitive levels. Reasoning asks a model to identify topological relations or infer how they change. Planning instantiates a foundation model as a closed-loop agent whose policy selects environment actions. MindTopo contains 11,030 instances across 13 procedurally generated task types with controllable difficulty. We benchmark 14 MLLMs and study agent configurations augmented with image and video generation, including 3 video generative models in planning settings. Every MLLM performs better on reasoning than on planning, and the best-performing model remains far below observed human performance. On Qwen3-VL-2B-Instruct, supervised fine-tuning and reinforcement learning improve reasoning more than planning. Generated observations retain local cues and reach plausible endpoints, but audited rollouts do not reliably follow environment dynamics or preserve topology across transitions. Our website is at https://mind-topo.github.io/
Yunfei Ge, Anbang Liu, Qineng Wang +9
Sep 11, 2026cs.LG

Particle GFlowNets: Rethinking Generative Marginalization Models

Generative Marginalization Models (MaMs) have been recently introduced as efficient neural sampling models for any-order autoregressive modelling of discrete distributions. By learning both the marginal and conditional probabilities of a persistent-block Gibbs sampler, MaMs enable fast posterior evaluation with a single neural network forward pass. While prior work has considered MaMs to be distinct from Generative Flow Networks (GFlowNets), a well-established paradigm for inference in discrete stochastic models, we show that they are equivalent. Then, we also extend MaMs' sampling strategy to non-autoregressive generative processes. In particular, we describe an automatic criterion for full-state rejuvenation of the Gibbs sampler, derived from the Gelman-Rubin statistic, which plays a key role in speeding up learning convergence. Our experiments show that our method, called Particle GFlowNets, markedly accelerates training in large combinatorial spaces.
Tiago da Silva, Diego Mesquita, Salem Lahlou
Sep 11, 2026cs.LG

Flow Duality and Source Geometry for Categorical Generation

Continuous and discrete flow matching are usually treated as separate constructions. This paper identifies a duality between them: projecting continuous convex-interpolant paths with one-hot targets through a position-wise argmax yields discrete convex-interpolant paths. The result requires source laws with appropriate coordinate symmetry and boundary regularity, and it makes the continuous source distribution an explicit design choice for categorical generation. We derive the induced discrete interpolation behavior for Gaussian, bounded-uniform, and centered negative-exponential sources, showing that different source geometries lead to qualitatively different transition timing and vocabulary-size dependence. Small visual diagnostics and a short language-modeling pilot suggest that these source-design effects can also appear in learned transports and early generative quality.
Etrit Haxholli
Sep 11, 2026cs.CV

GRADE: Single-Frame Generative Radar Depth Estimation Under Visual Degradation

Dense 3D depth perception fails under smoke, fog, and darkness because optical sensors cannot penetrate airborne particulates. mmWave radar remains usable and measures range accurately under these conditions, but its small aperture limits angular resolution. We present GRADE, which grounds a pretrained generative prior in single-frame radar geometry to estimate high-fidelity metric depth. GRADE first maps raw 4D radar spectra to coarse metric depth. A latent diffusion backbone then recovers structural detail while conditioning every denoising step on this estimate. A pixel-space adapter uses residual camera cues when available and is trained across clear, smoke-degraded, and occluded inputs so the full output approaches the radar-conditioned path as visibility degrades. Trained and evaluated on ~95K frames across 12 buildings with real smoke, GRADE achieves an MAE of 0.303 m in clear scenes and 0.313 m under smoke, outperforming existing baselines. Code and datasets are available at https://phi-lab-rice.github.io/GRADE.
Bin Zhao, Patrick Chiou, Nakul Garg
Sep 11, 2026cs.CV

Shedding Light: A Benchmark for Evaluating Lighting Understanding in Generative Image Models

Accurate modelling of illumination is central to realistic image synthesis and scene understanding. Yet, there is little exploration into whether image generative models are good at this task or whether physical plausibility remains a key challenge for them. Clearly, significant progress has been made in realistic image synthesis, but do models truly understand lighting in a physically accurate manner? To answer this question, this work proposes a benchmark to assess the lighting understanding and harmonisation capabilities of generative models. Our key insight is that evaluating lighting understanding for such models only requires testing how well they insert novel objects into real photographs whilst maintaining consistent illumination. To do so, we use a multi-illumination dataset with images containing simple objects serving as ``light probes'', and prompt models to inpaint the same object onto the original image, then compare the generated results against the ground-truth light probes. We then estimate the lighting direction, colour and radiance distribution from the inpainted probes, providing a quantitative measure of illumination accuracy and photometric realism. Our work establishes a scalable evaluation protocol to systematically assess how well generative models capture and reproduce real-world lighting, offering a foundation for benchmarking the photometric accuracy of any future models. All code and data are available at https://lvsn.github.io/SheddingLight/ .
Justine Giroux, Jack Oliver Hilliard, Yannick Hold-Geoffroy +2
Sep 11, 2026cs.LG

Local Robustness Quantification for Naive Bayes Classifiers and Generative Forests: a General Approach

We provide methods for calculating the robustness of the predictions of two types of generative classifiers whose underlying distribution is a Probabilistic Graphical Model (PGM): naive Bayes classifiers and generative forests (a probabilistic extension of random forests). Following the paradigm of robustness quantification, we define the robustness of a prediction as the extent to which the distribution of the classifier can be perturbed without changing this prediction. We consider perturbations obtained by varying the local models of the PGMs within general neighborhoods and focus in particular on epsilon-contamination, total variation distance and chi-squared divergence balls. We test our methods on benchmark datasets, demonstrate that the robustness value of a prediction serves as an indicator for its trustworthiness and compare our approach with other such indicators.
Adrián Detavernier, Jasper De Bock
Sep 11, 2026cs.LG

Zero-shot rib design: merging training-free generative prior with topology optimization

Natural load-bearing patterns such as leaf venation, trabecular bone, and spider webs achieve high stiffness per unit mass, yet classical topology optimizers rarely reach such geometries, and few let engineers express structural design intent through natural language. This work treats a frozen text-to-image diffusion model as a training-free source of design knowledge and distills it into the physics loop of density-based topology optimization via score distillation sampling, so that a text prompt becomes an explicit, machine-interpretable representation of engineer intent. The prompt-induced generative gradient and the finite element sensitivity are combined at every iteration, letting physics decide which prompt-induced features survive. In 245 primary SDS runs spanning four geometric domains and two physics regimes, 38 of 49 prompt--domain combinations achieved statistically significant compliance reductions (up to 31.5%-31.5\% mechanical and 23.0%-23.0\% thermoelastic), outperforming gradient-based baselines. Cross-domain morphological analysis identifies a recurring structural signature of improvement: in most domains the generative prior suppresses dead-end branches in the rib skeleton, with endpoint--compliance correlation r=+0.56r = +0.56 to +0.99+0.99. A Heaviside projection with β\beta-continuation resolves a pronounced intermediate-density tendency in this diffusion--physics coupling (42.6%42.6\% to <3%<3\%), and an automated skeleton-based pipeline converts optimized density fields into \rev{candidate geometry ready for computer-aided design. By retargeting the generative prior across domains, loading conditions, and physics objectives through a change of text prompt, with each new problem's physics setup specified separately, the framework uses a pretrained generative model as a reusable, training-free prior for engineering design.
Yongmin Kwon, Namwoo Kang
Sep 9, 2026cs.SI

SynCo: Synthetic Community-Aware Attributed Graph Generator for Graph Neural Network Benchmarking

Graph Neural Networks (GNNs) are powerful models for handling attributed graphs in tasks such as classification, link prediction, and community detection, as they enable the aggregation of information from both structural and semantic sources. However, progress in community detection is hindered by the lack of high-quality datasets, since ground-truth community labels are often unavailable and most algorithms proposed in recent literature rely on the same benchmark datasets for model training and evaluation. To address this issue, attributed random graph generators are commonly employed to create synthetic graphs for assessing the strengths and limitations of GNN-based models. Nevertheless, most existing generators rely heavily on power-law degree distributions, despite recent evidence indicating that scale-free networks are rare, particularly in social network contexts. Moreover, state-of-the-art attributed graph generators provide limited flexibility, as they do not allow users to construct communities with varying densities, degree distributions, and sub-community structures. To overcome these limitations, we introduce the Synthetic Community-Aware Attributed Graph Generator (SynCo), a graph generation algorithm that allows users to control the node degree distribution and sub-community structure. We evaluate SynCo across three different tasks: graph mimicking, hyperparameter evaluation, and node clustering tuning. The results show that our model outperforms state-of-the-art approaches in synthetic graph generation and data augmentation, while preserving the original distributions of duplicated and augmented datasets, as confirmed by statistical tests well know in literature. We also demonstrate the ability of SynCo to generate nodes in large scale, up to 2.1 million nodes.
Guilherme Henrique Messias, Mariana Caravanti de Souza, Sylvia Iasulaitis +1
Sep 9, 2026cs.CV

Decoupled Self-Forcing Distillation for Streaming Talking Head Generation

Streaming talking-head generation produces each frame as its driving audio arrives, yet fidelity and efficiency have so far pulled in opposite directions: end-to-end methods condition a video diffusion model on audio directly and achieve high quality but only at large scale, while cheaper two-stage methods generate an intermediate motion representation and trail in fidelity. We argue the cost of the former lies in the target of fusion: the video latent is dominated by identity, appearance and background, none of which audio bears on, so coupling audio to every pixel blurs detail and wastes capacity. We instead fuse conditions in a low-dimensional identity-disentangled motion space, routing audio and motion captions by their temporal granularity, and generate motion latents with a small causal autoregressive transformer that a pretrained diffusion renderer turns into video. Conditions thus control video transitively, and high fidelity no longer requires a large backbone. Streaming this decomposition needs both models to be causal, and the exposure-bias problem could be solved by self-forcing given a bidirectional teacher. But there is no such teacher in motion space. Our decoupled self-forcing distillation resolves both models under one frozen teacher: conditioned on motion, it distills the renderer into a block-causal student; unconditionally, it scores rendered rollouts against real videos, supervising motion by the video it produces. This lifts the fidelity ceiling from the motion generator onto the stronger renderer. The two models run as parallel causal streams, reaching 15.4 FPS at 1.3 s latency with no quality degradation.
Yanru An, Ruiyan Wang, Wenwu Wei +7
Sep 9, 2026cs.LG

A Systematic Evaluation of Molecule Generation Models for De Novo Drug Design: From Benchmarks to Practical Insights

Molecule generation has emerged as a powerful computational tool for de novo drug design, enabling the exploration of chemical space beyond the limits of conventional virtual screening. The field has progressed rapidly, driven by advances in molecular representations, generative architectures, and target-aware modeling strategies. However, existing reviews typically address specific model families or application scenarios in isolation, rather than offering an integrated perspective on how these components collectively form a coherent generation workflow. In this review, we present a comprehensive evaluation of molecule generation models for de novo drug design, covering 82 methods across five deep generative frameworks, including recurrent neural network (RNN)- and Transformer-based models, variational autoencoders (VAEs), generative adversarial networks (GANs), flow-based models, and diffusion models. We first summarize widely used benchmarks and molecular representations, and then examine the methodological principles underlying both general and pocket-conditioned generation. A central contribution of this work is a systematic synthesis and comparative analysis of reported performance across commonly used benchmarks and evaluation metrics. We also summarize representative experimentally validated case studies. Looking ahead, we discuss future directions in standardized 3D data, interaction-aware generation, receptor flexibility, and multi-objective molecular design, with the aim of improving the reliability and experimental relevance of molecule generation. All collected benchmark resources, evaluation metrics, and model references are provided in a publicly accessible repository at https://github.com/JacklinGroup/molecule-generation-review.
Xinrui Xu, Xueer Wang, Dan Luo +2
Sep 9, 2026cs.AI

Grounded Evaluation and Repair for NL-to-PDDL Problem Generation

Large Language Models (LLMs) have shown promise for translating Natural Language (NL) planning descriptions into PDDL problem instances. However, standard evaluation criteria such as syntactic validity or planner success can substantially overestimate faithfulness to the described task: a generated problem may be parseable and solvable while misrepresenting the intended initial state, goal, object structure, or optimization target. This paper studies an end-to-end NL-to-PDDL pipeline that combines LLM generation, checks in terms of PDDL parsing, planning and validation, a domain-conformance checker, an LLM critic, and iterative repair. Fine-grained repair feedback is constructed from the domain description, the generated problem, the natural language problem description, and operational diagnostics. Reference-based comparisons against curated benchmark PDDL problem descriptions are used for post-hoc benchmark analysis, and these offline checks include renaming-invariant structural matching and semantic equivalence, where domain support is available. Across Planetarium, AutoPlanBench, and curated PDDL2.1 problems, results show that operational success and benchmark-reference reconstruction can diverge substantially. Results also show that structured repair can be useful, and that PDDL2.1 remains challenging for reference reconstruction, even when operational success improves.
Joana Rosa, Pedro Santos, Valdemar Oliveira +3
Sep 9, 2026cs.CV

Albedo Estimation via Latent Bridge Matching

Recent advances in Intrinsic Image Decomposition (IID) have increasingly relied on generative models. However, progress remains limited by three key challenges: (a) insufficient physical consistency, (b) high computational cost at inference time, and (c) limited generalization capabilities. In this work, we show that latent bridge matching (LBM) effectively addresses these limitations for albedo estimation. We introduce a novel LBM-based architecture that enforces physical consistency through a pixel reconstruction loss, benefits from the inherent efficiency of LBM low-cost inference, and improves generalization across diverse datasets by incorporating a shading conditioning. In this extended version, we additionally show that conditioning the shading estimator itself on the predicted albedo further improves reconstruction fidelity, and we benchmark our best model against stateof-the-art IID methods across five real and synthetic datasets.
Carme Corbi, David Serrano-Lozano, Javier Vazquez-Corral +1
Sep 9, 2026cond-mat.mtrl-sci

uFlowCSP: Crystal Structure Prediction using Mean flow generative models

Crystal structure prediction (CSP) is fundamental to computational materials discovery. Generative models including CDVAE, DiffCSP, FlowMM, and CrystalFlow learn stable-crystal distributions directly, but diffusion and flow-matching inference requires tens to thousands of sequential network evaluations per candidate. We introduce uFlowCSP, a MeanFlow-based CSP model that learns the average, rather than instantaneous, probability-flow velocity. It generates a complete structure in one to five evaluations, delivering 5x-58x faster inference with equal or better performance. A chemistry- and symmetry-aware Transformer uses canonical atom ordering, global composition, and per-token chemistry embeddings. A coarse crystal-system token is used only during training; it provides additive gains, particularly improving space-group agreement despite being absent at inference, which remains formula-only. On MP-20 with 20 candidates per target, one step matches CrystalFlow (78.38% vs. 78.34%) with 100x fewer evaluations and about 10x lower wall-clock time. Five steps reach 83.64%, exceeding CrystalFlow (78.34% at 2,000 evaluations) and DiffCSP (77.93% at about 20,000), while using 20x fewer evaluations. uFlowCSP generates 10,000 structures in 0.39-1.31 minutes, versus 6.5 for CrystalFlow and 76.1 for DiffCSP. Under CSPBench's energy-ranked top-five structure-and-space-group criterion, five-step uFlowCSP reaches 72%/72%/65% structure, space-group, and consensus match rates. CrystalFlow reaches 78%/73%/68% at 100 steps but falls to 49%/32%/31% at five. Thus, uFlowCSP improves accuracy per network evaluation, not merely peak accuracy.
Sourin Dey, Dipannoy Das Gupta, Lai Wei +2
Sep 8, 2026cs.LG

NOAH: Learning the Full Patient Journey. A Longitudinal Multimodal Time-Aware Model for Representation and Forecasting

The digitization of healthcare has generated vast, longitudinal, and multimodal patient records over a lifetime, yet fully exploiting these data to represent and predict patient state trajectories remains a critical challenge. Current AI models often struggle to capture the complex, irregular temporal dynamics and inherent stochasticity of real-world multimodal patient data. Existing AI approaches for modeling longitudinal patient records are predominantly discriminative, limited to a few modalities, constrained by closed categorical vocabularies, treating time as a monotonic inductive bias, or they are limited in forecasting future patient states. We introduce NOAH, a time-aware, task-agnostic, generative transformer model representing and forecasting the full multimodal patient journey. NOAH features a novel bidirectional time integration and a variational latent space to capture the continuous evolution of patient states and the stochasticity of clinical trajectories. Built from over 559 million clinical events from 431,000 hospital visits of 299,000 patients across the MIMIC dataset family, NOAH natively processes medical images, time-series and numeric signals, categorical events, as well as structured and unstructured clinical records. NOAH is the first truly holistic generative model in its field, enabling autoregressive forecasting with optional time control, zero-shot classification, and counterfactual intervention simulation. It generates highly informative and predictive patient state representations that demonstrate strong performance in probing for clinical outcomes, 15 ICD chapters, and 29 comorbidities, as well as in time-to-event prediction. Seamlessly handling diverse modalities and complex temporal dynamics, NOAH provides a versatile, task-agnostic, scalable foundation for intelligent predictive systems in personalized clinical care and digital medicine.
Tobias Susetzky, Raphael Rehms, Dmitrii Seletkov +5
Sep 8, 2026cs.AI

LEBGen: An LLM-Enhanced Bayesian Network Framework for Few-Shot Travel Survey Data Generation

Travel survey data are essential for transportation planning and travel behavior analysis, yet collecting large-scale representative samples is costly and time-consuming. A practical alternative is to generate synthetic survey records from a few-shot sample. However, such samples provide incomplete coverage of heterogeneous traveler groups and insufficient evidence for recovering the complex dependencies between demographic characteristics and travel behavior. Existing approaches have complementary limitations. Probabilistic generative models such as Bayesian networks (BNs) offer explicit distributional control, but structures learned from few-shot samples may omit meaningful dependencies or retain spurious ones. Large language models (LLMs) can help address these difficulties in BN structure learning by providing behavioral knowledge that complements the limited statistical evidence. We therefore propose LEBGen, an LLM-enhanced BN framework that uses this knowledge to refine network structure for few-shot travel survey data generation. Specifically, the LLM first identifies traveler personas from demographic attribute and travel behavior statistics, then recovers dependencies missed by the persona-augmented BN structure and prune spurious ones. The refined BN is parameterized exclusively from the observed data to generate synthetic records. Under a 2% few-shot setting on the 2022 Hong Kong Travel Characteristics Survey, LEBGen reduces the mean marginal Jensen-Shannon divergence from 0.0671 to 0.0091 and the mean absolute Cramer's V error by 14.3% over the best-performing baseline, substantially improving both distributional and dependency fidelity.
Zijian Shen, Bin Zhou, Jiguang Wang +2
Sep 8, 2026cs.CV

Dreaming in Flow: Generative Grounding Feedback for Self-Evolving Unified Multimodal Models

Unified multimodal models integrate visual understanding and generation within a single network, yet the two capabilities are commonly optimized as separate tasks. We introduce Generative Grounding Feedback(GGF), a self-evolving post-training framework that uses only text prompts and the model's own visual experience. Given a prompt, the model first generates a visual ``dream.'' Flow-level feedback compares text-, image-, and repair-conditioned predictions at the same noisy latent state, transferring image-grounded generation directions to the prompt condition. Dream replay grounding replays this dream through captioning and re-imagination, training claim-level evidence to remain consistent across the replay while separating unrelated visual experiences. Jointly optimized, these two directions let generation provide visual grounding for understanding and understanding refine subsequent generation without paired image--text supervision. Experiments across unified models with different understanding--generation integration designs show consistent improvements in text-to-image generation together with modest gains in visual understanding.
Ke Hao, Yuanzhi Liang, Tingxi Chen +5
Sep 8, 2026cs.LG

Revisiting Spectral Representations in Generative Diffusion Models

Diffusion models have shown remarkable performance on diverse generation tasks. Recent work finds that imposing representation alignment on the hidden states of diffusion networks can both facilitate training convergence and enhance sampling quality, yet the mechanism driving this synergy remains insufficiently understood. In this paper, we investigate the connection between self-supervised spectral representation learning and diffusion generative models through a shared perspective on perturbation kernels. On the diffusion side, samples (e.g., images, videos) are produced by reversing a stochastic noise-injection process specified by Gaussian kernels; on the spectral representation side, spectral embeddings emerge from contrasting positive and negative relations induced by random perturbation kernels. Motivated by this, we propose a self-supervised spectral representation alignment method to facilitate diffusion model training. In addition, we clarify how joint spectral learning can benefit diffusion training from a geometric perspective. Furthermore, we find that the optimization of the spectral alignment objective is in an equivalent form of diffusion score distillation in the representation space. Building on these findings, we integrate a spectral regularizer into diffusion training objectives to improve the performance of diffusion models on multiple datasets. Experiments across images and 3D point clouds show consistent gains in generation quality. Code is released at https://github.com/yuehaowang/spectral-reg-diffusion.
Yuehao Wang, Peihao Wang, Hanwen Jiang +3
Sep 7, 2026cs.LG

ParetoTransport: Generative Optimization by Mass Transport Toward The Pareto Front

Offline multi-objective optimization requires not only moving the objective vectors of candidate designs toward the Pareto front, but also distributing them effectively along it. Generative methods have recently emerged as a natural approach because they learn a distribution over feasible designs while allowing generation to be steered toward promising designs. Existing methods, however, largely retain classical sample-wise guidance strategies, leaving the distribution-level modeling capability of generative methods underused. We propose ParetoTransport, a training-free guidance method for pre-trained flow-matching models that explicitly specifies and refines a population-level distribution in objective space. ParetoTransport guides a flow-matching sampler to iteratively transport the empirical offline distribution toward the Pareto front, with Wasserstein matching to intermediate proxy distributions. This directly controls distributional displacement and mass allocation along the front. We establish a convergence result and demonstrate state-of-the-art performance on standard offline MOO benchmarks, extending recent evaluations beyond hypervolume to generational distance, inverted generational distance, and Wasserstein distance.
Stephanie Holly, Sepp Hochreiter, Werner Zellinger
Sep 7, 2026cs.CV

DF26: We Cannot Tell Fake From Real Anymore

We introduce DF26, a novel benchmark for detecting AI-generated videos containing fully synthetic clips produced by recent text-to-video and image-to-video models. The videos capture single-person public-speaking scenarios, spanning direct-to-camera recordings, official statements, and studio interviews - 271 real and 2,420 synthetic videos generated by seven modern video models. The study on DF26 shows that human performance in detecting AI-generated videos, as well as state-of-the-art deepfake detectors, is close to random chance. Our results highlight the limitations of current evaluation protocols and motivate the need for benchmarks that explicitly measure robustness to modern generative model distribution shifts.
Severyn Shykula, Andrii Yermakov, Ivan Samarskyi +3
Sep 7, 2026cs.CV

The Price of Consistency: Exploiting Visual Anchors for Multimodal Jailbreaking in Video Generation

The rapid evolution of video generation has shifted the paradigm from pure text-driven to multi-conditional controllable generation, with reference images now widely adopted as conditional inputs to achieve superior spatiotemporal consistency. While these reference images serve as powerful visual anchors that significantly enhance controllability, their impact on safety remains largely unexplored. In this work, we reveal the visual anchoring effect: by enforcing consistency, the mechanism prevents the generated content from drifting away from the original harmful intent, thereby eliminating the model's natural safety escape route from harmful to benign content. Consequently, visual anchors inherently increase the safety risk---this is the price of consistency. Building on this insight, we propose Decoupling Intent via Visual Anchors (DIVA), a training-free multimodal jailbreak framework for video generation that exploits this vulnerability. DIVA decouples harmful intent into a static visual anchor image and a dynamic motion text prompt, and employs dual-criteria selection to balance attack stealthiness with semantic preservation. Extensive experiments across various leading commercial platforms and mainstream open-source video generation models demonstrate that DIVA achieves a substantially higher Attack Success Rate than existing text-only methods. To facilitate future research, we additionally contribute TI2VSafetyBench, the first safety benchmark for multi-conditional video generation.
Peng Li, Qianqian Xu, Yangbangyan Jiang +2
Sep 7, 2026cs.AI

MedFlow: Class-Aware Multi-Scale Generation for Medical Time-Series Synthesis

Synthetic medical time-series generation can alleviate data scarcity and support the development of reliable clinical prediction models. However, existing methods mainly focus on matching the overall distribution and temporal dynamics of real data, which does not necessarily ensure strong downstream utility on imbalanced medical datasets. Clinically informative patterns often occur at heterogeneous temporal scales, while rare minority-class characteristics can be obscured by dominant population patterns. To address these challenges, we propose MedFlow, a class-aware multi-scale flow matching framework for medical time-series synthesis. MedFlow employs a vector-quantized multi-scale tokenizer to represent medical sequences at complementary temporal resolutions, capturing both coarse clinical trends and fine-grained dynamics. We further introduce Token Marginal Guidance, which incorporates class-conditional token statistics directly into the flow matching process to steer generation toward class-specific regions of the learned tokens. This mechanism strengthens minority-class patterns, while preserving the global and tail distributions of real data. Experiments on four public datasets covering electronic health records, EEG, and ECG signals demonstrate that MedFlow consistently outperforms recent state-of-the-art diffusion-based baselines across downstream prediction tasks. On average, it improves AUPRC by 5.8%, reduces Context-FID by 88.6%, and achieves 3.8×\times higher sampling throughput.
Yanhao Huang, Shibo Feng, Wanjin Feng +2
Sep 3, 2026cs.LG

Conditioning Degenerate Diffusion Models

Current conditioned generative models heavily rely on score functions for guidance during training. When the generative model is a diffusion process with a singular diffusion coefficient and the underlying (conditional) densities either do not exist or are not smooth, we use causal optimal transport to define \emph{approximate} loss functions that identify a minimum-entropy control for guidance under minimal assumptions. Our approach relies on causal optimal transport and its characterization through the predictable representation property of (conditioned) diffusion processes whose associated martingale problem is well posed, à la Üstünel.
Uğur Aydın, Tamer Başar
Sep 3, 2026cs.CV

Fill My Mirror: Geometry-Constrained Mirror Inpainting

Mirrors are common in real-world images, yet producing geometrically consistent reflections with generative models remains challenging. Unlike most objects, mirror appearance depends on scene geometry and viewpoint, making it hard to synthesize using learned appearance priors alone. We address this in the mirror inpainting setting, where the scene is fixed and only the mirror region is generated. Our key insight is that much mirror content is geometrically constrained by the visible scene and need not be hallucinated. We estimate scene geometry and project visible content into the mirror to recover reflection regions determined by geometry. A generative model then completes the mirror region via a two-mask diffusion strategy balancing geometric constraints with the model's learned priors, reducing projection artifacts and improving reflection consistency. The method is training-free and applicable to complex real-world scenes. We evaluate on MirrorBench-V2 (synthetic) and real images. Using standard and geometry-aware metrics, we show that explicitly using scene geometry improves consistency.
Ofek Basson, Shimon Vainer, Yacov Hel-Or +1
Sep 3, 2026cs.CL

</think> Doesn't Stop Reasoning: Analysis of Spurious CoT Termination

Chain-of-thought (CoT) reasoning improves large reasoning models (LRMs) on complex tasks but often produces long, redundant traces. Recent training-free early-exit methods shorten these traces by choosing an intermediate point to stop reasoning. We study one such strategy that injects an end-of-think token (EoT, </think>) at this point to trigger the reasoning-to-answering transition, and find that the injected EoT does not always induce a clean answering phase. Answering-phase generation can continue before the model regenerates another EoT, with the span preceding this regenerated EoT scaling with the reasoning tokens saved by early exit and exhibiting continued reasoning behavior. We call this spurious CoT termination, where reasoning-like generation continues into the answering phase. We hypothesize that insufficient attention to the injected EoT contributes to spurious CoT termination and probe this hypothesis with Exit-token Attention Biasing (EAB). Across four LRMs, five benchmarks, and two early-exit methods, increasing attention to the injected EoT reduces spurious CoT termination and answering-phase length. These results reveal a limitation of controlling LRMs by externally matching their explicit think-block format. Inserting the EoT token conforms to this format but does not by itself guarantee the intended reasoning-to-answering transition. Our code is available at https://github.com/Seunghee-Koh/Spurious-CoT-Termination.
Seunghee Koh, Sungjae Choi, Minchan Kwon +2
Sep 3, 2026cs.CV

Auditing Patient Privacy in Medical Generative Models: Scalable Memorization Detection with DeepSSIM++

While deep generative models offer new opportunities for medical image synthesis and data sharing, their ability to memorize and reproduce training samples raises serious concerns about patient confidentiality. Detecting such memorization at scale remains challenging: traditional pixel-based metrics are sensitive to generation artifacts, whereas generic embedding-based metrics often lack the anatomical sensitivity required for medical data. To address this challenge, we introduce DeepSSIM++, a self-supervised similarity metric for scalable memorization auditing in medical generative models. By leveraging multi-scale feature aggregation and anatomy-preserving augmentations, DeepSSIM++ learns an embedding space where cosine similarity approximates the Structural Similarity Index (SSIM), eliminating the need for exact pixel-level registration. Compared with state-of-the-art baselines, DeepSSIM++ achieves an average Macro F1 improvement of 33 percentage points under ideal alignment and 46 percentage points under realistic spatial and intensity perturbations. Furthermore, it accelerates large-scale similarity computation by several orders of magnitude compared with analytical SSIM. By combining anatomical sensitivity and computational efficiency, DeepSSIM++ provides an open-source tool for scalable memorization auditing in medical generative AI. Code and data are publicly available at: https://github.com/brAIn-science/DeepSSIM.
Antonio Scardace, Francesco Guarnera, Sebastiano Battiato +1
Sep 3, 2026cs.CV

When Do Frozen VLMs Respond to Image-Free Object-Token Edits? An Answer-Key-Free Protocol and What It Reveals

Answering what-if queries about a scene with a VLM usually means injecting the assumption as text or repainting the scene with a generative model. We instead move the edit to the representation level, before the model input. The image is abstracted into a set of object-level tokens, and the original image never enters the VLM. This design rests on an open question: when do frozen VLMs actually respond to such token edits? We introduce an answer-key-free protocol: no post-edit answer is annotated. It scores edits whose answers are logically determined, and audits itself by reversing each scoreable choice. The protocol reveals three structures. The response is not free: explicit edit teaching, not ordinary VQA training, produces it in dense scenes and multiplies it in sparse ones, on all three operations. Once on, it is governed by token cleanliness and density, with deployable detector+segmenter tokens competitive with the oracle and outperforming it on VRSBench. And reading is a separable axis: the image-free token route preserves 92-96% of a matched patch-token baseline's free-text VQA, and the answers measurably depend on the tokens. The response, cleanliness, and reading structures are sign-preserved across two remote-sensing datasets (iSAID, VRSBench) and three frozen LM backbones. We release the probe generator, records, judge logs, and code.
Wonbin Son, Gyumun Choi, Junil Seo +3
Sep 3, 2026cs.LG

Inferred Generative-Process Diversity Predicts Correlated Failure Across Language Models

Diversity is a widely observed factor in the resilient function of collective systems, yet the type of diversity that matters depends on the properties and failure modes of the system. This distinction is important for systems composed of multiple language models. Different models may be treated as independent components even when their behaviour and failures remain strongly correlated. Assessments of language-model populations using semantic similarity demonstrate limited semantic diversity, but this captures only differences in the meaning of observed outputs. We argue that a more fundamental notion of model diversity is generative-process diversity, the differences between processes capable of generating the observed outputs. Drawing from Algorithmic Information Theory, we use Normalised Compression Distance between raw model outputs, residualised against a permutation control, as a measure of inferred generative-process diversity. Across 38 language models, this measure identifies population structure missed by semantic similarity and predicts cross-task variation in chance-corrected correlated failure among model pairs across ten disjoint benchmark families, beyond semantic similarity and model-pair capability. The cross-benchmark partial rank association is 0.216-0.216 with a 95% interval of [0.309,0.122][-0.309,-0.122], and the estimate is negative on all ten benchmarks. These results indicate that increased generative-process diversity is associated with reduced correlated failure in model pairs that is not attributable to semantic similarity or capability. Inferred generative-process diversity offers a novel and practical approach for investigating diversity of multi-model systems in safety-relevant contexts.
Ross Tieman, Evan Markou
Sep 3, 2026math.DS

SurgeGen: A Hybrid Generative Diffusion Framework for Storm Surge Scenario Synthesis

Predicting storm surge induced by landfalling tropical cyclones is crucial for flood mitigation and coastal risk management. Traditionally, physics-based numerical models simulate storm surge by solving the Navier--Stokes equations using numerical methods, but these simulations are computationally expensive. Generative models are promising for storm surge emulation because they can generate diverse realizations rather than producing a single deterministic prediction. However, their use for storm surge emulation remains largely unexplored. In this paper, we leverage diffusion models for storm surge surrogate modeling, combining a baseline prediction stage with conditional generation to provide a more interpretable modeling framework. We develop SurgeGen, a two-stage generative framework for generating storm surge scenarios conditioned on hypothetical storms with parameters defined in a continuous space. First, a baseline model produces a coarse estimate of the storm surge height. This estimate then conditions a diffusion model, which generates refined storm surge scenarios that better capture spatial patterns and variability. We demonstrate that our approach can generate realistic and diverse storm surge scenarios under conditions both within and outside the training distribution.
Shunan Zheng, John J. Hasenbein