生成模型理论与方法

Prompt tuning provides a parameter-efficient way to adapt foundation models (FMs) by freezing the pretrained backbone and updating only a small set of learnable prompts. This property makes prompt tuning especially suitable for decentralized federated learning (DFL), where exchanging full-model updates can be prohibitively expensive. However, prompt tuning in DFL introduces new challenges. Prompt sets learned from heterogeneous local data may not be index-wise aligned, making standard decentralized averaging unsuitable. In addition, the algorithm should be theoretically guaranteed to achieve consensus and make progress toward the shared objective. In this work, we provide the first study of prompt tuning in DFL. We formulate decentralized prompt tuning as a Wasserstein-based optimization problem over prompt measures, which captures the set-valued structure of prompts. We then propose D-FROST, an optimal-transport-based (OT-based) decentralized prompt-tuning algorithm that merges neighborhood prompts into compact representative prompt sets through transportation-based matching. We further analyze D-FROST by bounding the Wasserstein consensus error across clients, and establishing convergence of the network-level prompt barycenter to a neighborhood of stationarity. Experiments under heterogeneous client data demonstrate the effectiveness of D-FROST for decentralized prompt tuning.

Decentralized, serverless learning increasingly connects devices running different architectures, where the standard tool, decentralized SGD, is undefined as models with different parameter counts cannot be averaged. Knowledge distillation (KD) exchanges soft predictions rather than weights and sidesteps this obstacle, yet convergence theory for fully decentralized, asynchronous peer-to-peer (P2P) KD is lacking. We provide one, relocating consensus from parameter space to function (output) space: a KD event is a geometric contraction operator in logit space on the peers' predictive distributions, which we analyse in the Hilbert space of predictions on a reference measure. Under standard smoothness/variance assumptions and two realizability assumptions, one bridging parameter SGD to the functional step and one controlling restricted task/KD alignment, the time-averaged functional stationarity and function-space disagreement converge at rate $O(1/(ηT))$ to an $O(η)+O(B_f^2)+O(ζ_f^2)$ neighbourhood. Here $B_f$ is the distance from the task optimum to the peers' reachable classes and $ζ_f$ measures persistent local-task heterogeneity. Across homogeneous, width-heterogeneous, and mixed-family networks of the experiments, KD contracts function disagreement by $40-61\times$, while isolated training does not. The sampled stationarity diagnostic has late transient exponents $0.99-1.90$ on the shared-skeleton main runs, and the four-point step-size sweep exhibits the predicted transient: neighbourhood tradeoff.

Many statistical models involve parameter-dependent normalizing constants that are computationally intractable, creating substantial obstacles to standard Bayesian inference. Although existing likelihood-based algorithms can often circumvent these constants, their uncertainty quantification may be poorly calibrated under model misspecification. To address these challenges, we propose SME-BETEL, a semiparametric Bayesian framework that combines score matching estimating equations with Bayesian exponentially tilted empirical likelihood. The resulting posterior avoids evaluation of normalizing constants and does not require learning-rate calibration. We establish consistency and asymptotic normality of the score matching estimator, and prove a Bernstein-von Mises theorem for the SME-BETEL posterior. These results show that SME-BETEL credible sets are asymptotically calibrated to the sampling variability of the score matching estimator, yielding valid frequentist coverage under model misspecification. We further develop a new score matching criterion for mixed-domain data, extending SME-BETEL to models whose observations combine components from different sample spaces. This construction enables robust Bayesian inference for mixed-domain doubly-intractable models, including preferential sampling models with an intractable spatial normalizing integral. Simulation studies show that SME-BETEL remains competitive under correct specification and substantially improves uncertainty quantification under misspecification. An ozone-monitoring application further demonstrates the utility of the mixed-domain construction for spatial preferential modeling.

Flow Matching has emerged as a leading framework for generative modeling, powering state-of-the-art systems such as FLUX and Stable Diffusion 3.5. However, the iterative nature of its ODE-based sampling process creates a fundamental efficiency bottleneck: the quality of generated samples is highly sensitive to the choice of step-sizes, and current models typically require 20 to 30 steps for good quality. In this work, we propose two lightweight, training-free algorithms, CAT-OV and CAT-OT that adapt step-sizes at inference time based on a novel connection between Flow Matching sampling and gradient flow. Our algorithms are computed efficiently by not requiring additional neural function evaluations. Specifically, CAT-OT estimates curvature over time via a finite-difference approximation of the time-derivative of the vector field, while CAT-OV approximates curvature over the state space via a gradient of the vector field. Under suitable conditions, both methods have truncation error bounds of constant order. Empirically, CAT-OV and CAT-OT outperform existing step-size heuristics in image quality metrics across four text- to-image Flow Matching models, reducing the number of generation steps required to reach comparable quality by up to 40%.

Stochastic transport describes physical systems in which an initially structured distribution spreads under unresolved forcing, scattering, or heterogeneous media. Useful surrogates for such systems should be probabilistic, time-resolved, and able to represent non-Gaussian distributional structure. Generative diffusion models, which corrupt data with Gaussian noise and learn a reverse flow back to structured states, have these properties. Their noise schedules, however, are usually chosen heuristically: image and audio generation---the canonical use cases---provide no physical clock. In transport, by contrast, the variance, or mean-square displacement, is often known from macroscopic theory or empirical scaling even when the full distribution is not. Here we prescribe the forward noising rate as the time derivative of this variance, turning generative time into a calibrated transport clock. The variance path is enforced by construction, while the learned score field represents how non-Gaussian structure inherited from entrance data is smoothed along that path, requiring no intermediate-time physical transport data. For ballistic-to-diffusive transport in turbulent plasmas, the surrogate matches test-particle distributions, reproduces the laboratory-measured variance scale, and tracks the simulated kurtosis evolution without schedule tuning, enabling calibrated emulation and likelihood-based inference.

We present a direct optimization method for three-dimensional freeform reflectors that transform the light of a finite-étendue source into a prescribed far-field angular intensity distribution. The reflector profile is represented by a small neural network (a multilayer perceptron), which is trained end-to-end through a differentiable ray-tracing objective. We furthermore parameterize the emission directions in gnomonic coordinates, and show how we use this to ensure that every emitted ray intersects the reflector. At each iteration, the network is converted to a bicubic spline representation for ray-tracing efficiency, and intersections with this smooth surface are solved by a damped Newton solve, with gradients computed via the implicit function theorem. The traced output distribution is compared with the desired target on a 'soft' histogram, under an $H^{-1}$-type spectral weighting that emphasizes long-range transport of flux to improve convergence. Optimization is performed using a BFGS method with self-scaled Broyden updates and a plateau-perturbation rule to prevent stalling. The method converges reliably within seconds on a single GPU for all examples tested.

Crystal generators can now propose periodic structures, but their control interfaces remain poorly matched to the mixed descriptors used in materials design. Text provides a compact way to combine composition, symmetry, prototype and property cues, yet it has not been clear whether such information can steer flow-based crystal generation. Here we introduce TFMat, a text-conditioned flow-matching framework that uses structured materials language as a semantic prior for a CrystalFlow generator. Across Perov-5, Carbon-24 and MP-20 crystal structure prediction benchmarks, TFMat improves one-candidate match rates over CrystalFlow and reaches a 92.04% MP-20 match rate with 20 candidates; in de novo generation, it improves element-count and density distribution alignment while retaining coarse property consistency in composition-selected outputs. These results position structured text as an inspectable control layer for translating human-readable materials intent into candidate crystals for downstream simulation and validation.

Data is important in many deep learning-based inverse problem solvers. However, obtaining sufficient paired data in many scenarios remains highly challenging, while unpaired data is cheap. To maximize data utilization, this paper proposes LUD-DIF, a diffusion-based approach for solving inverse problems with unpaired data. Starting from the evidence lower bound (ELBO) of the joint distribution, we decouple it into two independent diffusion processes under the weak-coupling assumption. The method provides theoretical support from a variational inference perspective, derives the loss function, quantitatively analyzes the error bound introduced by the assumption, and offers a theorem-motivated heuristic for hyperparameter selection. Experimental results demonstrate that LUD-DIF achieves outstanding performance on multiple image inverse problems, validating its effectiveness and generalization capability in unpaired inverse problem settings.

Traditional network models from network science, such as the Erdos-Renyi and configuration models, generate random networks that reproduce few selected topological properties observed in real-world networks. Deep graph generative models emerge as a data-driven approach, leveraging deep neural network architectures to learn complex structural distributions directly from real-world networks to generate more realistic synthetic networks. Because real social contact networks cannot be shared due to privacy risks, synthetic networks serve as an alternative for developing and evaluating epidemic mitigation strategies. In this work, we evaluate deep graph generative models as well as the configuration from a network science perspective by assessing both the topological similarity between generated and real-world networks and their utility in identifying effective node immunization strategies to sup- press epidemic/misinformation spreading. It is found that two deep graph generative models produce synthetic networks that closely resemble the structural properties of real-world networks, enabling them to identify effective immunization strategies.

Pixel-space diffusion has recently emerged as a promising direction for high-fidelity image generation by modeling images directly in the original pixel domain. However, pixel-space diffusion is computationally demanding due to the extremely high dimensionality of natural images. For efficiency, existing pixel diffusion models either compromise fine details with large-patch tokenization or confine subsequent refinement within individual patches. Such intra-patch refinement inevitably restricts structural continuity across patch boundaries and long-range token interactions, limiting refinement quality. To address these issues, we propose PixSGR, a novel Pixel diffusion framework with Sparse Global Refinement tailored for modeling the distribution of natural images directly in pixel space. PixSGR starts from a supervised low-channel bottleneck to efficiently capture the low-dimensional manifold of natural images. It then progressively expands the channel dimensionality and spatial resolution to recover increasingly fine-grained structures. At the spatial refinement stage, coarse-scale attention maps preselect globally relevant interactions to pre-sparsify fine-scale attention, enabling non-local refinement beyond isolated patches without the quadratic cost of dense attention. Extensive experiments on ImageNet validate the effectiveness of PixSGR. It achieves an FID of 1.51 at 256$\times$256 and maintains performance when scaled to 512$\times$512, attaining an FID of 1.60.

Diffusion-based Large Vision-Language Models (dLVLMs) have recently emerged as a compelling alternative to autoregressive (AR) LVLMs, offering advantages in parallel decoding, bidirectional context, and controllable generation. Despite rapid progress, their reliability properties remain largely uncharacterized. We present the first systematic reliability evaluation of hallucination and bias in dLVLMs, benchmarking six diffusion models against competitive AR baselines across four dimensions. Our key findings are: (1) dLVLMs reverse the yes-bias of AR models in binary visual queries; (2) they achieve competitive hallucination rates yet exhibit degraded linguistic quality; (3) they collapse to near-zero accuracy on underrepresented racial groups with opposite-polarity gender bias; and (4) they exhibit accuracy collapse in multiple-choice settings when the correct option is shorter than its distractors, associated with a length prior that emerges at the first denoising step. Tokens committed at late denoising steps with low confidence further correlate with hallucinated content, pointing to a mechanistic signal unique to diffusion generation. These patterns vary across model families, suggesting reliability is shaped by the generative paradigm together with training data.

Sampling from distributions conditioned on desired semantic properties is an emerging challenge in modern generative modeling. Metropolis-Hastings (MH) provides a principled route to conditional sampling, but requires access to exact pointwise target-density evaluations, which are not available in generative settings. Meanwhile, pairwise comparisons by humans or model "judge" are highly accessible and have proved valuable across diverse applications. We introduce Pref-MH, a general exact MH sampler for judge-induced conditional distributions using only stochastic binary pairwise comparisons. Our key observation is that the MH unnormalized density ratio matches the preference odds of the Bradley-Terry (BT) choice model. The central challenge is that while MH requires precise ratio computation, BT judges provide only sampled binary feedback. To this end, we develop a valid accept/reject rule whose resulting Markov chain provably converges to the target distribution. We further show that, for a fixed proposal kernel and budget, Pref-MH is optimal in the Peskun-Tierney sense among this class of exact reversible acceptance rules. Experiments on text generation and molecular design with LLM judges, as well as image generation with VLM judges, demonstrate that Pref-MH provides a practical and flexible approach to conditional sampling when comparative feedback is relatively easy to obtain.

Reconstructing oscillatory wave fields from scattered sensors is a severely underdetermined inverse problem. Beyond the challenges of general physical-field reconstruction, wave responses are complex-valued, frequency-sensitive, and highly oscillatory, while costly simulation and sensing often leave only extreme-sparse observations. Existing low-rank, operator, and diffusion approaches are largely designed for real-valued, smoother fields; dense pixel-space diffusion is particularly inefficient for oscillatory complex fields and difficult to scale to 3D. We propose HarmoCore, which places a generative prior in a compact, continuous, and structured wave-field latent. HarmoCore represents joint real--imaginary channels with Functional Tucker cores over shared continuous spatial bases, learns a frequency-conditioned core diffusion prior, and performs Diffusion Posterior Sampling directly in core space. At fixed sensor coordinates, the multilinear decoder induces an explicit likelihood guidance operator, avoiding dense pixel-space correction. Optional target-equation residual guidance further promotes physical consistency. Experiments on 2D Helmholtz, 2D synthetic wave fields, and 3D Helmholtz show substantial gains under 1%--2% sensing while remaining practical in three dimensions.

Diffusion models and recursive reasoners are both iterative, but they carry information across iterations differently. We add a persistent hidden state to a diffusion denoiser and remove its timestep conditioning, leaving a single shared update that can be run to arbitrary depth. The result is an anytime solver: accuracy keeps improving with inference depth far beyond the rollout lengths and backpropagation window used in training, reaching 99.90% exact solve on Sudoku-Extreme. We also obtain 98.93% solve rate on Maze-Unique. Surprisingly, progressive denoising is unnecessary at inference: holding corruption at its maximum by replacing every non-clue variable with fresh Gaussian noise at each step retains near-perfect solving and converges to stable solutions. This simple noise-injection mechanism enables a single trajectory to efficiently explore the solution space and settle on the correct answer without parallel rollouts, candidate selection, or external verifiers required by prior reasoning models. Nonetheless, ordered annealed corruption remains critical during training, which suggests that diffusion's primary contribution to our anytime solver is not a sampling procedure at inference, but a denoising training curriculum.

Engineering inverse design is often limited by the high computational cost of iterative solvers for optimization problems constrained by partial differential equations (PDEs) and by their sensitivity to initialization. Deep generative models can produce candidate designs without rerunning the simulator at inference time. Generative adversarial networks (GANs) sample in one forward pass, whereas diffusion models require iterative reverse-time integration. In this work, we add conditional flow matching (CFM) to EngiOpt and compare it with a conditional diffusion model and a conditional generative adversarial network (cGAN) on structural (beams2d) and thermal (heatconduction2d) benchmarks from EngiBench using the same downstream optimization protocol. We use cumulative optimality gap (COG) and final optimality gap (FOG) as the primary metrics for evaluating the generated designs as warm starts for gradient-based refinement. On the evaluated EngiOpt implementations and two EngiBench tasks, CFM achieves the lowest measured COG, FOG, maximum mean discrepancy (MMD), and volume-fraction deviation on both tasks. CFM has mean volume-fraction deviations of 0.4% and 1.0% on beams2d and heatconduction2d, respectively, compared with 3.8% and 11.2% for diffusion. At Euler s = 16, CFM achieves 53.2 samples/s on beams2d, about 66 times the measured throughput of the evaluated diffusion baseline using 1000 network evaluations under the same timing protocol, with COG 1.182 +/- 3.126, compared with 1.173 +/- 3.100 for Euler s = 32. Across the two tasks, CFM produces warm starts with lower measured COG than both baselines and uses fewer network evaluations than diffusion.

Uniform-state discrete diffusion models update all tokens in parallel while keeping every position revisable. Even when the commonly used top-$p$ rule leaves only one candidate at a position, that choice affects only the current reverse step and can be revised at the next sampling step. We ask what changes when selected hypotheses instead become persistent context for later predictions. We therefore propose committed reveal sampling (CRS), a training-free sampler that stores selected argmax tokens and inserts them into subsequent model inputs. Our analysis gives a rationale for selecting later and for keeping selected tokens visible. Under the exact forward process, the Bayes error of selecting a clean token cannot increase as noise decreases, while in a simple latent-mode model, keeping the selected token visible helps later parallel predictions agree on the same sequence-level choice. Empirically, paired experiments on Duo-distilled then separate this persistent effect from single-step top-$p$ restriction and scalar temperature scaling. Under the same finalization rule, CRS without top-$p$ truncation reaches lower generative perplexity (GenPPL) than fixed $p=0.95$ and $p=0.9$ baselines across budgets of 8--64 function evaluations (NFE). At 64 NFE, the comparison at matched unigram entropy also gives lower GenPPL for CRS, yielding a more favorable GenPPL--entropy tradeoff. Base Duo shows the same direction in a descriptive comparison, while other diversity and continuation metrics can rank these operating points differently. These results identify support restriction and persistent context as distinct controls of that tradeoff.

Diffusion models achieve strong image generation quality but incur high iterative denoising costs. Analog compute-in-memory (CIM) can accelerate matrix-vector multiplications, yet spatial memory variations perturb weights and accumulate during sampling. Unlike conventional neural networks, diffusion models' temporal sensitivity to hardware noise remains underexplored. We investigate diffusion inference using a noise model calibrated and validated against measurements collected from multiple physical CIM chips. Our results show that the early, high-noise denoising stage is substantially more vulnerable than the final refinement stage. A first-order trajectory analysis attributes this behavior to the repeated propagation of correlated prediction errors induced by a fixed hardware mapping. Based on this observation, we propose ASSERT, a training-free sampler that uses higher stochasticity early and smoothly transitions to deterministic denoising. The injected stochasticity changes subsequent activation trajectories and thereby reduces their alignment with persistent spatial errors. Across the evaluated settings, ASSERT achieves up to 2.58$\times$ lower FID than deterministic DDIM on high-resolution datasets and 7.68$\times$ lower FID in the CIFAR-10 step-count study, without changing model parameters or the number of network evaluations.

Denoising diffusion models are the dominant architecture for image generation, whereas most natural language generation and modeling are primarily handled by well-known transformer architectures employing attention mechanism. Here, we show that diffusion models also inherently use an attention mechanism very similar to that of transformers. Therefore, attention emerges as a universal machine learning principle, based on a general training objective. We also show similarities in basic functional principle of auto-encoders and attention-based models. These equivalences allows us to interchange these designs based on practical requirements. As an example, we can reformulate the diffusion framework to reduce the lengthy training process and computation-intensive image generation. Using this approach, a simplified algorithm is proposed for image generation which is based on attention mechanism. Results show that the attention-based implementation achieves comparable performance with significantly less effort and computational resources.

Diffusion language models (DLMs) have recently emerged as an alternative modeling paradigm to autoregressive LMs, offering advantages such as parallel generation and bidirectional context modeling. Despite growing interest in their generative capabilities, the privacy risks of DLMs remain underexplored. We identify a phenomenon termed token-level memorization asymmetry through theoretical analysis of diffusion training dynamics. Building on this finding, we propose Q-Skew, a quantile-weighted skewness-based indicator for membership inference on finetuned DLMs. Experiments across multiple fine-tuning datasets and models show that our method outperforms existing baselines. Moreover, we show that Q-Skew can also facilitate other privacy violations, such as PII extraction. Our findings reveal a previously underexplored privacy attack surface and highlight the need for systematic privacy evaluation of DLMs.

Generative models for implied volatility surfaces must produce outputs that satisfy static no-arbitrage constraints. We study these constraints in latent space. For a fixed generator, we assign each latent code a scalar margin determined by the no-arbitrage conditions of the generated surface. The codes with nonnegative margin form the admissible latent set. We establish conditions under which strictly admissible codes remain admissible under small perturbations and the boundary of the admissible set is characterized by zero margin. For regular boundary components, we formulate a level-set equation whose local dynamics are directed toward the zero-margin set. The analysis treats the generator as a map from latent variables to surfaces and is therefore not restricted to a particular architecture. It applies to variational autoencoders, generative adversarial networks, and other generative models with a deterministic realization map. Numerical tests recover known boundaries in analytic examples. Experiments with a variational autoencoder trained on Heston surfaces show that similar reconstruction errors can correspond to different admissible regions and that the latent prior may be concentrated inside such a region. The computed boundary can also be used to modify latent codes that generate violating surfaces.

Modern explicit-time generative models, such as Flow Matching [Lipman et al., 2023] and Rectified Flow [Liu et al., 2023], are typically derived top-down via Optimal Transport and the continuity equation. This standard Eulerian approach focuses on the macroscopic transport of probability mass. In this paper, we present an alternative, bottom-up mechanical derivation grounded in a Lagrangian (particle-centric) perspective. By analyzing the local Taylor expansion of a continuous denoiser, we motivate a strict invariance condition required for optimal, singlestep generation: the conservation of target identity. Enforcing this condition yields a governing quasi-linear advection Partial Differential Equation (PDE). We demonstrate that solving this PDE via the Method of Characteristics analytically yields the straight-line trajectories of Flow Matching. This geometric perspective isolates the Jacobian of the denoiser as the primary source of trajectory curvature, providing a direct mathematical explanation for why straight-line flows enable massive step sizes, and why empirical models require distillation to flatten intersecting characteristics.

This work shows that diffusion models learned with standard denoising loss can provide effective global MCMC proposals for complex high-dimensional target densities. The method is motivated by the observation that sequentially applying a forward and reverse diffusion process defines a Markov chain with a target stationary distribution for an ideal denoiser trained on samples of the target distribution. This observation can be made exact for any denoiser by applying a Metropolis-Hastings step whose acceptance ratio includes the density of the forward and reverse paths of a discrete time SDE approximation. We therefore propose to train denoising diffusion models on locally convergent MALA samples to learn global MCMC proposals. We call the composition of the global denoiser-based path sampler and a local MALA sampler Denoising Diffusion Monte Carlo (DDMC). Experiments show that DDMC can provide global proposals with high acceptance across a variety of complex target densities. Our results offer preliminary evidence that the established scaling behavior of standard diffusion training transfers directly to exact sampling from high-dimensional unnormalized densities.

Generative modeling provides a flexible way to model mixture-conditioned source distributions, but iterative diffusion and flow matching models are costly for long music signals. This paper studies joint vocal-accompaniment separation through latent flow matching, where a pretrained variational autoencoder (VAE) maps mixtures and sources into a compact latent space and a flow matching model generates vocal and accompaniment latents jointly. The proposed framework decouples semantic separation from acoustic velocity prediction through a Separation Encoder and a Velocity Decoder. To reduce sampling cost, we further apply latent adversarial post-training inspired by Flow2GAN for few-step generation. Experiments show that latent adversarial refinement can improve perceptual and separation metrics under a reduced sampling budget.

Autoregressive large models have recently advanced Text-to-SVG generation from simple icons to complex, long-context graphics, yet standard autoregressive decoding often fails to maintain global consistency across geometry, layout, occlusion, and composition. We introduce CANVAS (Consistency-Aware Navigation via Visual Adaptive Sampling), a training-free, render-aware inference framework that combines power-sharpened trajectory likelihood with visual feedback from rendered futures and derives a stroke-wise navigation rule. It effectively estimates each candidate stroke's future value under a limited generation and rendering budget and adaptively allocates samples according to candidate uncertainty, decision influence, and rollout cost. Experiments across multiple autoregressive SVG backbones and complementary benchmarks demonstrate improvements in global consistency, which includes sound geometric relationships, spatial layouts, occlusion ordering, and overall composition, without additional training, demonstrating the effectiveness and generalization ability of our framework.

Diffusion models have achieved strong results in high-fidelity image synthesis, but their iterative sampling process makes large-scale generation computationally expensive. This limitation is especially relevant when generating synthetic face datasets for face recognition, where a large number of subjects with many samples in different poses, expressions, ages, etc., are required. In this work, we show that identity-conditioned face synthesis can be performed at a substantially lower computational cost by a latent Consistency Model with few iterations, without compromising image quality. For training, we distill knowledge from the foundation Diffusion Model Arc2Face (teacher) by adapting its original text-to-image pipeline to an embedding-to-face setting, replacing textual prompts with ArcFace identity embeddings. Our distilled model (student) generates identity-conditioned face images with an average inference time of 0.4819 seconds per image, compared with 2.102 seconds for Arc2Face, resulting in a 4.36$\times$ speed-up. Quantitative results, based on FID scores, show that the distilled model remains competitive with Arc2Face across all evaluation protocols. On 100k generated images, it achieves near-parity on CelebA (13.921 vs. 12.928) and outperforms the teacher on WebFace42M (9.317 vs. 9.802). Further evaluations on Synth-500 and AgeDB show a moderate performance gap for the former but comparable results for the latter. These results indicate that Arc2Face can be accelerated through task-specific latent consistency distillation while preserving high image quality for large-scale synthetic face generation. Our proposal is publicly available at https://github.com/UFPR-IPASP-PR/FaceRec-IdentityConsistency.

Structure-based drug design (SBDD) requires ligands that satisfy both 3D target affinity and 1D chemical validity. Existing controllable generation methods often rely on task-specific fine-tuning or externally imposed sampling-time guidance, adding cost and potentially conflicting with evolving 3D geometric constraints. We propose LiFT, a language-informed cross-modal framework built on Flow Matching for trend-guided 3D molecular generation across both de novo design and scaffold hopping. LiFT uses a "Sense-Evolve-Assemble" agent to generate target-aware SMILES as intermediate chemical conditions, from which a pre-trained chemical foundation model extracts continuous semantic priors. These priors are integrated into geometric generation through a lightweight semantic projector with zero-initialized adaptive normalization for stable cross-modal conditioning. We further introduce a Self-Conditioned Decoupled Router (SCDR), which modulates the velocity field according to intermediate structural states during ODE integration. Experiments on Cross-Docked2020 show that LiFT achieves competitive distribution matching while improving medicinal chemistry metrics and maintaining competitive structural validity under task-steering settings without additional generator fine-tuning. Our results suggest that language-derived chemical priors provide effective trend-level guidance for 3D molecular generation. Code and released artifacts are available at https://github.com/kasurl/LiFT.

Diffusion models have recently advanced text-to-video (T2V) generation, yet they still struggle with fine-grained compositional alignment, such as attribute binding, spatial relations, and object interactions. While reward-based fine-tuning improves alignment, it is susceptible to reward hacking and adapts poorly to new prompt distributions. In this work, we propose NoisEasier, a test-time scaling framework that improves T2V generation through differentiable reward-guided noise optimization without modifying the underlying model. By combining efficient short-step generators with a multi-objective reward formulation, NoisEasier enables stable and practical test-time optimization under realistic inference budgets. Our key insight is that jointly optimizing the entire stochastic trajectory accelerates reward convergence and improves compositional alignment over optimizing only the initial latent, with negligible additional computational and time cost. Experiments on VBench and T2V-CompBench demonstrate consistent improvements across multiple backbones, achieving over 10% average gains on challenging dimensions such as attribute binding, object interaction, and numeracy. Overall, NoisEasier serves as both a flexible alternative and a complementary enhancement to reward-based fine-tuning, establishing test-time scaling as an effective paradigm for controllable text-to-video generation.

This work presents $Lapis$, a $l$inear-$a$ttention-based $pi$xel-$s$pace generative framework that achieves efficient and high-fidelity depth estimation with one-step diffusion. While generative frameworks have significantly advanced monocular depth estimation with superior detail fidelity, the $\mathcal{O}(N^2)$ complexity of standard attention and the multi-step denoising process introduce prohibitive computational costs when scaling them to high-resolution image applications. Although linear attention and one-step prediction are intuitively viable, directly applying them leads to poor structural consistency, detail loss, and noise. Lapis rectifies these limitations through a coarse-to-fine hierarchy. Specifically, a Patch-level Consistency Module restores structural coherence by integrating semantic and spatial priors. Subsequently, a Pixel-level Refinement Module recovers sharp geometric boundaries via skip-connection-based pixel correspondence. Furthermore, to mitigate sampling noise inherent in one-step diffusion, we leverage the manifold assumption and adopt a direct $\mathbf{x}$-prediction strategy to target the clean data manifold. Extensive evaluations on multiple benchmarks demonstrate that Lapis consistently achieves state-of-the-art (SOTA) accuracy and boundary sharpness across various resolutions, reducing inference latency by up to 7.6$\times$ at 1080P and 10.9$\times$ at 1440P resolution compared to previous SOTA generative models.

Robust estimation is a core computer vision task frequently tackled using sample consensus. However, traditional methods suffer from inefficient sampling as they struggle to identify effective minimum sets before hypothesis evaluation. To address these challenges, we propose a novel Diffusion-guided Sampling for Consensus-based Robust Estimation (DiffSAC) framework. DiffSAC introduces a diffusion model to learn the distribution of effective minimum sets. It refines the confidence for each data point, indicating whether it belongs to a good minimum set, rather than ranking the data points as in previous work. This significantly reduces the need to process numerous bad sets. To constrain the refinement direction, geometric features are incorporated as conditions within our diffusion model. Consequently, DiffSAC outputs a small number of high-quality minimum sets, enabling identification of the best hypothesis via consensus evaluation. Notably, compared to previous works requiring evaluating over ten thousand hypotheses, DiffSAC achieves state-of-the-art performance with only dozens, significantly boosting efficiency. Extensive experiments across five classic computer vision tasks demonstrate the superiority of DiffSAC. The diffusion model's sampling accelerators enable real-time operation, and DiffSAC can be used as a plug-and-play module to improve existing sample consensus methods.

Agentic workflows in materials science relying on hosted commercial models face severe reproducibility, economic, and data-privacy constraints. To explore fully local agentic science, this work evaluates an open-weights Qwen3:4B model executing an autonomous scientific pipeline across varying hardware constraints. Applied to pentagonal two-dimensional materials, the system extracts parameters from unstructured text, translates them into density functional theory (DFT) inputs, and drives simulations to convergence under a strict neurosymbolic architecture where agents propose and deterministic code disposes. The workflow is guarded by verbatim text grounding and multi-pass inference unions to counteract hardware-induced structural collapse. Evaluated against 201 expert judgements, the extractor achieves 95.7% precision (95% CI 90.3-98.1%) and 67.3% recall (59.8-74.0%), ensuring extracted parameters are strictly factual. However, precision identifying absent parameters does not exceed 47.0%, establishing that the measured omission rate constitutes a loose upper bound on true literature incompleteness. Across three hardware configurations, complete GPU residency governs extraction quality more fundamentally than weight or cache precision, raising Matthews correlation from 0.414 to 0.530 at fixed quantisation and to 0.560 with an unquantised cache. A corpus-scale audit indicates only 19 (33.3%) of the 57 studies are reproducible in principle, reporting every method parameter needed to re-initialise the calculation. Driven to convergence, the workflow reproduces published lattice constants with a mean absolute relative error of 2.3% where the relaxed structure retains its prototype, establishing that lightweight open-weights models can reliably drive autonomous agentic workflows when bounded by deterministic code gates.