Generative Processes

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.

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

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.

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.

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 $-0.216$ with a 95% interval of $[-0.309,-0.122]$, 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.

Artists coordinate human pose, illumination, and camera placement to convey narrative and emotion, but existing generative methods typically model these elements independently. We introduce text-to-editable 3D staging, a task that jointly generates human poses, a dominant light, and a camera configuration from an affective description. We construct 11,911 text--staging pairs from 2,328 figurative paintings by reconstructing SMPL bodies, estimating low-frequency illumination, recovering camera parameters, and pairing each scene with ArtEmis descriptions. We train a flow-matching transformer that supports variable numbers of figures and produces multiple staging alternatives for each prompt. On held-out descriptions, the model achieves 32.2% retrieval R@1, compared with 16.6% for CLIP-based nearest-neighbor retrieval, while approximately preserving corpus-level diversity. These results demonstrate the feasibility of generating editable, emotionally conditioned 3D staging references from text.

Intelligence is constituted by \textit{process} (iterative activity through which output emerges), not in the output itself. Generative AI (GenAI) is trained on \textit{traces} (textual and visual residues of human cognitive processes), reproducing samples from a distribution of those traces. Its outputs resemble reasoning, problem-solving, and creativity, yet the activity that produces such outputs in humans remains largely absent. Current GenAI is, therefore, weakly equivalent to the cognition it imitates, matching outputs while process stays absent or opaque. The cognitive sciences have long distinguished between weak and strong equivalence. Here, we define \textit{strong} equivalence across seven process features, assessable against human and machine cognition. Our process-based account addresses a symmetric risk: GenAI tools that outsource a person's generative processes may leave critical capacities unbuilt. We specify design principles for GenAI that instantiate more process and preserve rather than erode human judgment and creativity, and outline process audits that make strong equivalence testable.

Generating crystals has recently attracted significant interest due to their broad applications in materials science. However, existing generative models struggle to produce complete crystallographic specifications, limiting their ability to capture global symmetry and structural dependencies. In particular, current state-of-the-art approaches generate crystals only up to site symmetries and rely on sampling space groups from empirical distributions during generation. Inspired by \emph{spontaneous symmetry breaking} in physics, where crystals break symmetries under external conditions, we propose a novel diffusion-based framework that generates full structure specifications by reversing from the lowest-symmetry priors. Our method leverages a Markovian jump-diffusion process to model these symmetry-breaking dynamics, enabling it to traverse different space groups in a physically motivated manner. Our model, dubbed \emph{Symmetry-breaking Crystal Diffusion} (SbCD), introduces a principled approach to explicitly incorporate inter-space-group transitions into the generative process. In de novo generation experiments on MP20 and MPTS-52, SbCD outperforms its symmetry-preserving counterpart by a substantial margin, offering a promising perspective for generative modeling of crystalline materials.

As biomedical research increasingly relies on data-intensive tools, the quality and utility of datasets are critical. Challenges such as imbalances, biases, and ethical or legal constraints often limit access to high-quality data. Synthetic data generation can help overcome these limitations. Here, we present a comparative analysis of generative models for transcriptomic data, investigating strategies to incorporate prior biological knowledge via gene graphs. This ensures that synthetic data capture real-world gene patterns, maintaining their usefulness for downstream tasks. In particular, we introduce and benchmark three variants of the Generative Adversarial Network. Among the alternatives, MK-TGAN - an innovative multi-kernel, Graph Neural Network-based model - stands out for its performance in terms of both the realism and utility of the generated data. Unlike other methods, MK-TGAN leverages prior knowledge graphs by exploiting graph neural networks. Our results show that prior knowledge integration strategies improve performance, and that MK-TGAN consistently produces synthetic samples with superior realism and biological plausibility.

Understanding how artworks are created requires reasoning about the iterative decisions, material operations, and contextual influences that shape artistic production. While recent generative AI systems can synthesize artworks with high fidelity, they primarily model distributions over finished artifacts rather than the creative processes underlying their creation. In practice, artistic workflows are only partially documented through fragmented sources such as archival records, preparatory studies, correspondence, etc., making process-level understanding difficult to formalize computationally. In this work, we introduce ArtMine, a framework for discovering and formalizing artistic processes from heterogeneous historical evidence. Our approach synthesizes heterogeneous artwork evidence into a structured repository, from which a Peircean abductive agent infers evidence-grounded production steps. These steps are converted into a compositional graph and rendering prompt, then optimized through self-reflection over deviations between the generated and reference artworks. We provide a preliminary proof-of-concept case study using open-domain historical sources across multiple artists and artistic movements, demonstrating that fragmented documentary evidence can support coherent, interpretable, and auditable representations of artistic workflows. By modeling creative processes rather than only final artifacts, our work moves toward process-centred human-AI co-creativity systems that can support artistic interpretation, creative education, reflective collaboration, and computational studies of cultural production.

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 \textit{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.

Rough path signatures are a universal feature map for continuous paths and, via the expected signature, characterise path distributions. These guarantees do not directly extend to cadlag paths of Temporal Point Processes (TPPs), limiting the use of signature methods for event sequences. Furthermore, neural TPP models, including recent generative approaches, optimise per-event objectives with no global sequence-level loss, while evaluation of variable-length event sequences lacks distributional discrepancy measures. This paper proposes a common pathwise framework for addressing these limitations. We introduce the interarrival embedding, a stable, injective lift from jump paths to continuous paths of bounded variation, extending signature methods to discrete event sequences. Our theoretical contributions give rise to sigTPP, the first signature-based generative model for TPPs, trained using a path-level loss on complete trajectories. We further analyse the space of counting paths and derive three distributional discrepancies, providing mathematically justified tools for evaluating generative TPP models. Across synthetic and real-world datasets, sigTPP achieves the best average rank based on eight complementary metrics, outperforms or is within a standard error of the strongest baseline in 64% of the dataset-metric pairs, and according to a relative score, improves against every baseline by at least 19% on average.

In multi-source image fusion scenarios, heterogeneous inputs are typically driven by distinct generative mechanisms and can be viewed as a composition of multiple causal systems. However, cross-system discrepancy (CSD) and cross-system entanglement (CSE) commonly arise during the fusion process, often leading to significant performance degradation under out-of-distribution (OOD) predictions. To address the CSD and CSE issues, we propose the additive causal construction (ACC) framework, which characterizes information fusion at two levels: firstly, it establishes causal "anchors" shared among multiple systems through intervention consistency to enable causal graph transferability (CGT); and secondly, it formalizes the fusion process as causal construction and models the reliability of constructed paths through uncertainty quantification to ensure causal graph reconfigurability (CGR). Building upon this, we revisit the traditional causal representation learning (CRL) with ACC and propose ACC-CRL as a learnable instantiation of the framework. The method explores joint causal content representations across systems via content-mechanism decoupling, and performs response alignment under shared anchors to mitigate CSD. Furthermore, it incorporates structural uncertainty to adaptively regulate the fusion process, thereby suppressing unstable CSE. We conduct systematic experiments on synthetic data (ColorMNIST) and real-world multi-center medical imaging tasks (microvascular invasion (MVI) prediction). The results demonstrate that the proposed method significantly improves OOD generalization while maintaining in-distribution (ID) performance, validating the effectiveness and robustness of the ACC-CRL strategy based on mechanism alignment and uncertainty modeling in open environments.

Diffusion-based text-to-image models can synthesize complex and highly structured visual content, yet the emergence and evolution of semantic structure remain difficult to interpret. Many existing workflows rely on aggregated attention or scalar summaries that separate temporal change from image-space evidence. To address this gap, we present a visual analytics framework for exploring attention dynamics in diffusion models: the step-indexed evolution of token-level cross-attention maps, their temporal concentration, and their spatial relationships. Our approach enables structured analysis of attention behavior across generation steps by integrating quantitative measures with data-driven stage identification in an interactive workflow. Case studies on a structured 60-prompt Stable-Diffusion-class benchmark illustrate recurring, interpretable patterns within this setting and show how linked temporal and spatial views facilitate the observation and discussion of generative processes, supporting more effective human-AI collaboration.

Adversarial evaluation of AI systems has matured along four largely disconnected tracks: diffusion-based attacks on text and large language models (LLMs), diffusion-based attacks on image classifiers, jailbreak pipelines against vision-language models, and diffusion-based input purification defenses. Each has developed its own vocabulary, threat models, and benchmarks, with denoising diffusion models emerging as a shared generative mechanism whose recipes are now actively ported between communities. This survey performs an information-fusion exercise at the meta-research level: we integrate these four tracks into a single conceptual framework with a unified taxonomy, evaluation criteria, and research agenda, focusing on the LLM-side slice. We catalog fifty published papers across four scope areas (text/LLM, image classifier, vision-language model, defense), plus four diffusion-LLM-as-victim entries and ten non-diffusion baselines against which any new attack must be compared. We propose a six-class taxonomy of diffusion roles in adversarial pipelines, augmented by a threat-model axis recording attacker knowledge, query budget, and target accessibility, and apply a five-dimension framework (attack success rate, transferability, query budget, perplexity, defense-evasion) uniformly across modalities. The review adopts a dual attacker-defender perspective: alongside the attack catalog we cover four diffusion-based defenses that form the natural evaluation backdrop for new attacks. Our critical analysis identifies five recurring weaknesses of the current LLM-side literature, and we close with a research agenda of open questions and concrete experimental designs. The companion catalog and spreadsheet are released with the paper. We are explicit that this is a narrative review with quality assessment, not a PRISMA-compliant systematic review, and discuss the implications for replication.

The intricate structures of biological neural networks largely emerge during development, guided by a comparatively compressed blueprint encoded in the genome. The connectivity that emerges from this decoding process is rich in structure, and already equips the organism with functional modules upon birth. This initial structure serves as a scaffold that can be gradually refined and fine-tuned through lifelong experience, via a variety of plasticity mechanisms. Drawing inspiration from this interaction between evolutionary and developmental modes of learning, we use hypernetworks to learn a compressed generative process that generates the connectivity of a modular reservoir. We show that this marriage between curriculum-based meta-learning and modular reservoir computing can generate sparse recurrent networks that solve difficult temporal tasks with minimal training and without concessions to robustness.

We study the problem of human gaze modeling, which aims to generate the gaze patterns a viewer produces while observing a visual stimulus. Gaze is primarily captured through two modalities: continuous eye-tracking trajectories, which describe fine-grained motion dynamics, and discrete scanpaths, which describe high-level fixation structure. Because gaze varies substantially across viewers and trials, we treat this variability as a defining property rather than noise and model gaze as a stochastic generative process. Existing generative gaze models supervise on only one of these two representations in isolation. We hypothesize that trajectories and scanpaths describe gaze at complementary scales and are jointly informative during training, and test this hypothesis through ST-DiffEye, a joint trajectory-scanpath diffusion framework that couples both modalities by concatenating them as an additional raw input channel, requiring no architectural overhead beyond an input and output channel expansion. We further introduce a principled evaluation framework based on the Continuous Ranked Probability Score (CRPS), which generalizes any existing sequence similarity metric into a proper scoring rule that jointly assesses the accuracy and diversity of generated gaze. Experiments on task-driven visual search, covering both target-present and target-absent scenarios, and on free-viewing benchmarks demonstrate state-of-the-art performance. These results, along with detailed ablations, confirm the benefit of joint modeling and the value of distribution-aware evaluation in capturing the intrinsic variability of human gaze. Project webpage: https://st-diffeye.github.io/

Multimodal generative models produce fluent outputs but remain unreliable when generation must respect structured, domain-specific, or safety-critical knowledge. Existing methods incorporate knowledge through mechanisms such as prompt augmentation, guidance, latent editing, or fine-tuning, yet they are typically categorized by technique rather than by the component of the generative process they modify. We argue that knowledge infusion in iterative generative models is fundamentally anintervention-layer problem. Since thegenerative process unfolds as a trajectory of internal states, knowledge can act on four structurally distinct components of this process: the input/output boundary, the transition function, the intermediate state, and the model parameters. This maps to four intervention layers: surface, trajectory, latent, and parametric infusion. We instantiate the framework in diffusion models, map representative methods to all four layers, and derive design principles for multi-layer composition. In a controlled safety-alignment experiment using a multimodal knowledge graph with two diffusion backbones, we implement three of the four layers cumulatively, surface (input-side and output-side) and trajectory--latent (mid-generation). We show empirically that each additional layer addresses failure classes that prior layers cannot reach, reducing knowledge-violating outputs by 70.97% compared to vanilla generation and empirically confirming the framework's complementarity prediction.

We propose PatchScene, a novel diffusion-based framework for large-scale LiDAR scene completion. Unlike existing methods that rely on global latent representations or dense voxel grids, PatchScene adopts a patch-based voxel diffusion paradigm that explicitly generates fine-grained geometry within localized 3D regions. To ensure coherent reconstruction at both spatial and temporal scales, we introduce a confidence-guided spatio-temporal fusion mechanism that integrates overlapping patches and adjacent frames in a unified generative process. Furthermore, we design an Annular-Flow diffusion strategy that leverages the radial density pattern of LiDAR scans to progressively propagate high-fidelity information from near-range to far-range regions, enabling spatially unbounded scene completion. Extensive experiments on the SemanticKITTI benchmark demonstrate that PatchScene achieves state-of-the-art performance across all standard metrics, surpassing previous approaches in both geometric accuracy and temporal consistency. Remarkably, the model trained on 20 m LiDAR ranges generalizes effectively to 50 m scenes without retraining, highlighting its strong scalability and generalization capability for real-world autonomous driving applications.

Modern deep learning models for forecasting groups of time series rely on increasingly longer observation windows. However, the benefit of increasing the window size is often simply attributed to capturing long-range dependencies, and broader discussion on how global forecasting models leverage input observations has been limited. In this paper, we show that forecasting groups of time series involves two objectives: (i) generative process identification (GPI), i.e., inferring the specific process generating the input sequence, and (ii) conditional forecasting (CF), i.e., predicting future values given input observations. From this perspective, optimal predictions can be interpreted as an average over plausible data-generating processes, weighted by their likelihood given the input window. This suggests another explanation for the benefits of long context windows: they reduce the uncertainty about which specific process is generating the input time series during operation. We prove that even for processes with memory length $P$, an input window size strictly larger than $P$ is necessary to achieve the minimum attainable error. Finally, we show how decoupling GPI and CF can improve computational scalability without compromising accuracy. Experiments on synthetic and real-world data validate our insights and their relevance for designing forecasting architectures.

Implicit-process priors define distributions over functions through flexible generative mechanisms, making them attractive for Bayesian function-space modelling. However, performing posterior inference with such priors is challenging because their induced function-space distributions are typically not available in closed form. One practical strategy is to approximate the prior using a finite collection of sampled functions, and then represent posterior functions as learned combinations of these samples. Existing approaches commonly place a Gaussian variational distribution over the combination weights. While tractable, this choice limits the shapes of posterior uncertainty that can be represented, especially when the true posterior is asymmetric, heavy-tailed, or multimodal. We propose Flow-Transformed Implicit Processes (FTIP), a variational inference method that makes this finite-dimensional function-space approximation more expressive. Instead of using a Gaussian distribution over the combination weights, FTIP uses a normalizing flow to define a richer variational distribution. This induces a flexible posterior distribution over functions while preserving tractable optimization. We train the model using a Black-Box α objective, allowing us to compare mass-covering and mode-seeking variational behaviour. Experiments show that FTIP captures asymmetric and multimodal posterior structure in function space that Gaussian coefficient approximations tend to smooth or collapse.

We address the challenge of generating high-fidelity, long-form soundtracks that remain coherent across scene transitions. Existing AI music systems are mainly designed for short, isolated clips and lack mechanisms to ensure narrative continuity. We present JenBridge, a modular and interpretable framework for adaptive long-form video soundtracking that ensures both high-fidelity audio generation and transition naturalness. The core architecture is a Transformer-based generative model trained with a flow-matching objective, following a two-stage paradigm: pretraining on large-scale text-audio corpora to establish robust musical priors, then adapting to the video domain with dual text-visual conditioning for precise cross-modal alignment. Crucially, to achieve long-form coherence across diverse scene changes, JenBridge incorporates a novel adaptive transition mechanism. This system features a versatile toolkit of transition styles, including a generative transition method, and uniquely employs a Large Language Model (LLM) Agent that acts as a director to select the most appropriate transition for each narrative shift intelligently. To rigorously assess this task, we propose the LVS Benchmark, a new benchmark that includes a curated dataset and novel evaluation metrics focusing on holistic and transition-aware assessment. Extensive experiments on the proposed benchmark demonstrate that JenBridge significantly outperforms existing methods in both objective and subjective metrics, particularly in terms of transition naturalness and overall narrative coherence. JenBridge represents a significant step towards fully automated, professional-quality video soundtracking.

Biomolecules such as proteins and small-molecule ligands play a central role in biological systems, arising from the tight interplay between sequence and three-dimensional structure. Recent generative models for biomolecular co-design aim to capture this interplay by jointly modeling coupled modalities. However, existing approaches largely adopt a parallel execution of marginal generative processes, implicitly enforcing fixed synchronous coupling. We argue that a critical but overlooked degree of freedom lies in how these marginal processes are temporally coupled during training and generation, where inappropriate coupling can introduce high-variance supervision and inconsistent intermediate states, affecting modality consistency. To address this, we introduce GeoCoupling, a systematic framework that optimizes for temporal couplings between heterogeneous modalities. Empirical results across structure-based drug design and unconditional protein design demonstrate the learned couplings consistently outperform synchronous and randomly coupled baselines, yielding biomolecules with improved physical validity and diversity.

Logical rules constitute a cornerstone of knowledge graph (KG) reasoning, valued for their interpretability and ability to model relational patterns. However, existing rule mining methods predominantly focus on simple chain-like rules and therefore neglect the richer relational information encoded in graph-like structures, such as cycles and branches. This limitation is further exacerbated by computational bottlenecks caused by the combinatorial explosion of the search space, which is especially challenging for graph-like rules. Meanwhile, generative approaches such as diffusion models, despite their success in other domains, cannot be directly applied to rule mining because their training objectives are not aligned with the goal of learning high-quality rules, and non-differentiable KG rule quality metrics cannot directly guide model optimization. To address these limitations, we propose GRiD, a framework that reformulates graph-like rule discovery as a discrete generative process conditioned on the target relation. GRiD employs a two-phase training strategy. First, supervised pre-training enables GRiD to capture structural priors from subgraphs sampled from the KG meta-graph. Subsequently, reinforcement learning is applied to fine-tune GRiD through policy gradient optimization guided directly by non-differentiable rule-quality metrics. Experiments on six benchmark datasets show that GRiD achieves competitive performance on KG completion tasks. Ablation studies confirm the efficiency and robustness of GRiD and further show that graph-like rules complement chain-like rules in KG completion. Our code and datasets are available in https://github.com/Haoxiang-Cheng/GRiD.

Forecasting the progression of neurodegenerative diseases, such as Parkinson's disease, is essential for effective long-term planning and personalized therapeutic intervention. Existing systems typically produce scalar clinical scores that ignore the rich structure of longitudinal neuroimaging, while traditional generative approaches suffer from a loss of anatomical details and blurring subtle progression patterns. To address this, we introduce a novel treatment-conditioned diffusion framework that predicts high-fidelity future brain states by conditioning the generative process on patients' screening DaTscan images and levodopa equivalent daily dose over one year. The pipeline uses a Transformer-based encoder to represent non-linear, time-dependent pharmacological dynamics and optimizes generation through a multi-weight region-of-interest mask that focuses on biologically critical areas. Experimental evaluation shows that our framework maintains sharp anatomical boundaries and significantly improves clinical fidelity relative to the baseline, achieving 14.0% lower MSE, 7.2% lower MAE, and 4.9% higher SSIM.

We introduce Spectral Guidance, a framework for controlling diffusion models by leveraging the intrinsic geometry of the generative process. As data is progressively corrupted by noise, only a small number of features remain informative for control. We characterize them as the singular functions of a conditional expectation operator and show that they can be learned via a self-supervised objective. Once recovered, this basis enables the projection of arbitrary guidance signals, such as labels, CLIP embeddings, or masks, directly onto the sampling trajectory. This approach allows for stable, high-fidelity control without retraining or denoiser backpropagation during sampling. Empirically, we improve conditional accuracy on CIFAR-10 by 37 percentage points over the strongest training-free baseline while offering $4\times$ faster sampling. Moreover, the same representations that support label and CLIP guidance also enable spatial control, such as mask-based guidance, without auxiliary models. Finally, our framework reveals a phase transition in the generative process, pinpointing the optimal time window for effective guidance.

Flow and diffusion generative models have established themselves as widely adopted density estimators for simulation-based inference (SBI), extending naturally from neural posterior estimation to likelihood and joint density estimation. Their principled optimization objectives and freedom from architectural constraints have driven rapid adoption across the natural sciences. Yet the most widely used SBI libraries remain PyTorch-based, leaving researchers who develop their forward models and analysis pipelines in JAX without a native option. We present GenSBI, an open-source library that implements flow matching, score matching, and denoising diffusion entirely in JAX. The library offers three transformer-based architectures - SimFormer, Flux1, and a novel Flux1Joint that extends gate-modulated transformer blocks to joint density estimation - all interchangeable through a unified interface that decouples generative method, neural backbone, and inference mode. GenSBI provides an end-to-end workflow from training through posterior calibration (SBC, TARP, LC2ST) and supports custom architectures with domain-specific embedding networks. We validate the framework on standard SBI benchmarks, achieving near-ideal mean C2ST scores (0.50-0.56, where 0.50 is ideal) on SBIBM tasks with minimal per-task tuning and well-calibrated posterior coverage across all tested configurations. The code is publicly available at https://github.com/aurelio-amerio/GenSBI.

Evaluating and mitigating a generative system's susceptibility to jailbreak attacks is critical to its safe deployment. Given the number of deployable systems, full per-configuration evaluation and optimization is impractical. In this paper, we formalize the behavioral geometry of a population of models that, by leveraging previously evaluated and defended models, supports both efficient susceptibility prediction and effective defense transfer across a population. We apply the framework to 79 models spanning 24 providers and to 100 system configurations of a single base model. Simple methods that use the behavioral geometry reach an AUPRC of $0.94$ for susceptibility detection with $\approx98\%$ fewer probes relative to a full evaluation. Using the behavioral geometry to select which model to transfer an optimized defense from outperforms same-provider assignment ($+2\%$, $p = 0.03$) at no additional probe cost, with a set of three models sufficient to cover the population. Results are robust to hyperparameter selection and judge.

Detecting AI-generated images (AIGI) remains challenging because detectors often fail to generalize to unseen generators. Although existing methods are trained on large datasets, their performance still degrades when generation settings change, indicating that data scale alone is insufficient and that limited coverage of generative variations during training is a key factor. Studies on generative model editing show that small changes in internal representations can produce diverse and meaningful image variations, many of which are not explored under standard sampling. Leveraging this insight, we propose PROBE (Probing Robustness via Boundary Exploration), a framework that improves detector generalization by actively exploring challenging regions of the generative process. Instead of treating the generator as a fixed data source, PROBE uses the detector as a critic to steer the generator through manifold-level modifications, producing realistic samples that are difficult to classify. These samples expose failure cases that are uncommon under standard data sampling strategies and are used to refine the detector. Experimental results across multiple benchmarks indicate that PROBE enhances generalization to unseen generators, resulting in more generalizable AIGI detection performance. Code and models are available at https://github.com/Amamiya-C/PROBE-AIGI-Detection

Learning from Demonstration (LfD) enables robots to learn complex behaviors from expert examples, yet existing approaches often fail to generalize to new compositions of known skills without retraining. Modern generative policies model distributions over action trajectories alone, thus are unable to reason about the symbolic outcomes required for robust composition. We propose that skills should jointly model action trajectories and the symbolic outcomes they induce. To address this gap, we introduce Predicate Action Skills (PACTS), a class of closed-loop visuomotor policies that model skills as a joint generative process over action and predicate belief trajectories, producing coherent action-outcome rollouts within a single model. Jointly generating actions and predicates enables PACTS to learn internal representations that improve both action generation and predicate classification. Furthermore, we demonstrate zero-shot composition of learned skills via planning by leveraging online predicate predictions from PACTS as a symbolic interface for sequencing and monitoring execution. Project website: https://planpacts.github.io/

Generative text-to-image models are typically trained on large-scale web-scraped datasets that include diverse visual content such as copyrighted and stylistically distinctive artworks, raising concerns about ownership, attribution, and the unintended reuse of protected visual expressions. A key issue is that models can learn stylistic patterns from this data and reproduce them in generated outputs without any explicit reference in the prompt. We refer to this phenomenon as The Silent Brush, where such learned styles reappear even when they are not requested. Existing evaluation methods mainly focus on near-duplicate retrieval or membership inference and do not account for this form of unintended stylistic resurfacing across prompts. To address these gaps, we first formulate guiding principles for evaluation of The Silent Brush. We then introduce Art Arena, an evaluation protocol that measures how strongly artworks are encoded, how they interact, and how frequently their stylistic traits reappear in generated outputs without explicit mention in prompts. We evaluate Art Arena on widely used text-to-image diffusion models, including Stable Diffusion v1.5, Stable Diffusion XL (SDXL), and SANA-1.5, and design it to generalize across text-to-image generative systems. Our results show that The Silent Brush arises from differences in representational strength and interaction dynamics between artworks, leading to asymmetric blending in model generations. Code and evaluation resources are available at: https://anonymous.4open.science/r/ArtArena-EBE4.

Single-unit crown restoration is among the most common procedures in clinical dentistry, with CAD/CAM workflows now designing crowns directly from intraoral scans. Partial scans are often preferred over full-arch scans for single-unit cases due to fewer stitching errors, yet most segmentation networks trained on full arches fail on partial scans, while end-to-end generative crown methods often produce over-smoothed surfaces that lose occlusal detail. We propose an end-to-end pipeline that takes a raw intraoral scan and target FDI tooth number as input and outputs an initial, patient-specific crown proposal for clinician refinement. The pipeline has three phases: (I) data preparation and pose standardization; (II) segmentation routed by scan type; and (III) crown proposal generation via context-aware retrieval and Blender-based fitting. We address partial-scan segmentation through a classify-then-align strategy: a DGCNN classifier categorizes the scan into one of five anatomical types, then coarse-to-fine RANSAC+ICP registration standardizes the jaw coordinate frame, followed by graph-cut optimization to refine tooth-gingival boundaries. Trained on 1,958 partial scans, the pipeline achieves macro-average DSC 0.9249, Recall 0.8919, and Precision 0.9615 across 17 semantic classes; a fine-tuned full-arch model reaches DSC 0.9347. The prepared tooth and its mesial and distal neighbors achieve DSC 0.9468-0.9569 with sub-millimeter Centroid Errors (0.2666-0.2774 mm). These centroids anchor a retrieval module using DGCNN embeddings and cosine similarity over neighboring and opposing teeth, followed by spline-guided alignment and Blender Python API refinement. The pipeline produces a preliminary crown shell in 2.5-3.5 minutes, offering a practical alternative to end-to-end generative approaches.

Diffusion and flow-matching models scale because pretraining is supervised regression: a clean sample is noised analytically, and a model regresses against a closed-form target. RL post-training aligns the model with a reward. In image generation, this makes samples compose objects correctly, render text legibly, and match human preferences. Existing methods rely on costly SDE rollouts, reward gradients, or surrogate losses, sacrificing pretraining's regression structure. We show that the structure extends to RL post-training. Under KL-regularized reward maximization, the optimal generative process tilts the clean-endpoint distribution towards samples with higher reward and leaves the noising law unchanged. Combining this with the adjoint-matching optimality condition and a REINFORCE identity, we derive Reinforce Adjoint Matching (RAM): a consistency loss that corrects the pretraining target with the reward. At each step, we draw a clean endpoint from the current model, evaluate its reward, noise it as in pretraining, and regress. No SDE rollouts, backward adjoint sweeps, or reward gradients are required. Like the pretraining objective, RAM is simple and scales. On Stable Diffusion 3.5M, RAM achieves the highest reward on composability, text rendering, and human preference, reaching Flow-GRPO's peak reward in up to $50\times$ fewer training steps.

Machine learning algorithms are being used in high-stakes decisions, including those in criminal justice, healthcare, credit, and employment. The research community has responded with two largely independent research fields: \emph{algorithmic fairness}, which targets equitable outcomes, and \emph{explainable AI} (XAI), which targets interpretable reasoning. This survey identifies and maps a novel blind spot at their intersection, which is a model that can satisfy every standard fairness criterion in its outputs while being profoundly unfair in its \emph{reasoning process}. We refer to this as the procedural bias, and mitigating it requires treating the fairness of explanations as a distinct object of scientific study. To our knowledge, we provide the first unified theoretical and literature review of this emerging field and elucidate the drawbacks of post-hoc explainers in certifying explanation fairness. Our central contribution is a \emph{conditional invariance framework} formalizing explanation fairness as the requirement that explanations should be indifferent regardless of the protected attributes $P(E(X) \in \cdot \mid X_\text{rel} = x_\text{rel},\, A = a) = P(E(X) \in \cdot \mid X_\text{rel} = x_\text{rel},\, A = b)$ for all task-relevant $x$, a single principle from which all existing explanation fairness metrics emerge as partial operationalizations. We introduce a seven-dimensional taxonomy, identify three generative mechanisms of explanation inequity (representation-driven, explanation-model mismatch, actionability-driven), and propose a canonical six-step evaluation workflow for operationalizing explanation fairness audits in practice.

Concept Bottleneck Models (CBMs) in medical imaging aim to improve model interpretability by predicting intermediate clinical concepts before final diagnoses. However, most existing CBMs treat concepts as discriminative predictors of pathology labels, without explicitly modelling the underlying clinical generative process where diseases produce observable radiographic findings. We propose XpertCausal, a radiologist-guided causal CBM for chest X-ray interpretation which models pathology-to-concept relationships using a probabilistic noisy-OR framework. This generative model is then inverted via Bayesian inference to estimate pathology probabilities from predicted concepts. Radiologist-curated concept-pathology associations are used to constrain model structure to radiologist-defined clinically plausible reasoning pathways. We evaluate XpertCausal on MIMIC-CXR across pathology classification performance, calibration, explanation quality, and alignment with radiologist-defined reasoning pathways. Compared with both a non-causal CBM baseline and a causal ablation with unconstrained learned associations, XpertCausal achieves improved AUROC, calibration, and clinically relevant explanation quality, while learning concept-pathology relationships that more closely align with expert knowledge. These results demonstrate that incorporating clinically motivated causal structure and expert domain knowledge into CBMs can lead to more accurate, interpretable, and clinically aligned models for CXR interpretation.

Language model (LM) "reasoning", commonly described as Chain-of-Thought or test-time scaling, often improves benchmark performance, but the dynamics underlying this process remain poorly understood. We study these dynamics through the lens of uncertainty quantification by treating the "reasoning" traces, the intermediate token sequences generated by LMs, as evolving model states. We summarize each trace by an uncertainty trace profile: a small set of features describing the shape of the uncertainty signal over its trace, such as its slope and linearity. We find that across five LMs evaluated on GSM8K and ProntoQA, these profiles predict whether a trace yields a correct final answer with AUROC up to 0.807, improving markedly on recent related work. We reach AUROC 0.801 using only the first few hundred tokens of full traces, suggesting that errors can be detected early in the generation. A detailed comparison of correct and incorrect traces further reveals qualitatively distinct uncertainty profiles, with correct traces showing a steeper and less linear decline in uncertainty. Together, the results suggest that our method, grounded in decision-making under uncertainty, provides a principled lens for studying the generative process underlying LM "reasoning".

Diffusion guidance is a powerful technique that enables controllable and high-fidelity sample generation with diffusion models. At a high level, it modifies the score function by incorporating a guidance term that steers the generative process toward a desired condition. Despite its empirical success, the theoretical properties of diffusion guidance remain largely unexplored, and it is not well understood why it consistently produces high-quality samples. In this work, we explain the effectiveness of diffusion guidance by establishing a robustness of support property. Specifically, we show that, given exact access to the score functions, guided diffusion processes almost always generate samples that remain close to the target support. This property is particularly desirable, as samples that lie off the support are often structurally implausible and may adversely affect downstream tasks. Our analysis covers both Denoising Diffusion Implicit Models (DDIM) and Denoising Diffusion Probabilistic Models (DDPM), and applies to a wide range of discretization schemes induced by exponential integrators. Our results provide a rigorous foundation for understanding why diffusion guidance produces physically meaningful and structurally plausible samples.

Foundation models must handle multiple generative processes, yet mechanistic interpretability largely studies capabilities in isolation; it remains unclear how a single transformer organizes multiple, potentially conflicting "world models". Previous experiments on Othello playing neural-networks test world-model learning but focus on a single game with a single set of rules. We introduce MetaOthello, a controlled suite of Othello variants with shared syntax but different rules or tokenizations, and train small GPTs on mixed-variant data to study how multiple world models are organized in a shared representation space. We find that transformers trained on mixed-game data do not partition their capacity into isolated sub-models; instead, they converge on a mostly shared board-state representation that transfers causally across variants. Linear probes trained on one variant can intervene on another's internal state with effectiveness approaching that of matched probes. For isomorphic games with token remapping, representations are equivalent up to a single orthogonal rotation that generalizes across layers. When rules partially overlap, early layers maintain game-agnostic representations while a middle layer identifies game identity, and later layers specialize. MetaOthello offers a path toward understanding not just whether transformers learn world models, but how they organize many at once.

It has been hypothesized that achieving the data efficiency of human visual perception requires a generative approach in which internal representations result from inverting a decoder. Yet today's most successful vision models are non-generative, relying on an encoder that maps images to representations without decoder inversion. This raises the question of whether generation is necessary for data-efficient machine perception. To address this, we study to what extent generative and non-generative methods can achieve compositional generalization, a hallmark of human data efficiency. Under a compositional generative process, we formally characterize the inductive biases required for compositional generalization in decoder-based (generative) and encoder-based (non-generative) methods. We show theoretically that the inductive biases required for an encoder are substantially more complex and generally infeasible to impose explicitly through architectural constraints or regularization. By contrast, the decoder biases take a simple form that can be enforced directly. These results suggest that compositional generalization may be substantially easier to achieve through a generative paradigm of learning and inverting a decoder rather than learning an encoder directly. We examine our theoretical findings empirically by training a range of generative and non-generative methods on synthetic image data. We find that non-generative methods often fail to generalize compositionally and require large-scale pretraining to improve generalization. By comparison, generative methods yield gains in generalization without requiring additional data.