NeurIPS 2026 论文列表

Generative models are increasingly used to solve scientific inverse problems, but existing evaluations still focus primarily on whether a method can produce a single plausible reconstruction. This is insufficient for ill-posed problems, where multiple solutions may be consistent with the same sparse or noisy observations. In these settings, a method can achieve strong pointwise accuracy while still failing to capture the true posterior through mode collapse, over-confident uncertainty, or averaging incompatible solutions. We introduce PosteriorBench, a benchmark for evaluating the distributional accuracy of generative inverse solvers. PosteriorBench evaluates four physics-based inverse problems: Darcy flow inversion, Poisson source recovery, carbon capture and storage, and light transport material inference. For each task, we construct high-fidelity reference posteriors using slow but established procedures such as rejection sampling and Markov chain Monte Carlo, enabling direct assessment of whether solvers recover the full set of solutions rather than the single best sample. The benchmark spans sparse sensing, low-resolution observations, nonlinear forward models, varying noise levels, and multimodal priors, with a unified pipeline for distribution matching, uncertainty quantification, and hyperparameter calibration. Our experiments reveal substantial distribution-matching gaps across current solvers, while showing that neural operators improve resolution robustness and that guidance weights and generation noise are key to posterior-variance calibration.

Recent multi-view Transformers (e.g., DUSt3R and VGGT) have advanced 3D reconstruction by scaling training data and model capacity from two views to many views and long sequences, subsuming the classical SfM/SLAM pipeline of feature extraction, matching, and pose estimation in a single feedforward pass. Yet this subsumption hides the interfaces between pipeline stages---correspondences, geometry, and pose are entangled in a single forward pass, **leaving supervised fine-tuning as the major path** to improvement and offering no mechanism to correct predictions from geometric evidence at test time. We propose PosePlaner to close this gap by reviving the classical coupling between correspondences and pose via flow matching, treating pose refinement as a conditional generation problem that takes coarse geometric matches and initial pose as input condition and fuses the resulting pose hypotheses into a single refined estimate, providing a continuous, data-driven analogue of RANSAC voting. Our method is trained efficiently on two-view data, yet serves as a periodic refiner for streaming n-view pose estimators with no retraining. Empirically, it corrects failures of feedforward predictors, substantially improves correspondence-based solvers, and reduces accumulated drift in long streaming sequences.

Skin-friction drag induced by wall-bounded turbulent flows accounts for a substantial fraction of energy consumption across commercial aerospace, wind energy, and marine transport. Its active reduction is one of the highest-value targets in engineering fluid dynamics. Deep reinforcement learning (DRL) has emerged as the leading approach for real-time flow control, yet its performance ceiling is set not by algorithmic capability but by reward structure, the naive scalar objective does not optimally reflect the underlying physics. Policy-DRIFT bypasses this ceiling by relocating reward information from policy gradients to generative model inference: a conditional flow matching model (CFM) constructs a physically-grounded manifold of realisable flow states spanning multiple control regimes, Terminal Reward Guidance (TRG) steers samples toward reward-maximising targets at inference, and a lightweight DRL policy, structurally decoupled from reward quality, tracks these full-field targets via root-mean-squared error (RMSE) minimisation. The test case is turbulent channel flow simulated using direct numerical simulation (DNS) at friction Reynolds number of $\mathrm{Re}_\\tau = 180$, which is the canonical benchmark for wall-bounded turbulence. Policy-DRIFT achieves $49\\%$ drag reduction approaching the theoretical upper bound, which is $\\approx 16\\%$ higher than the DRL benchmark, while consuming 37$\\times$ less actuation energy. Our approach combines generative methods with active flow control, marking a paradigm shift towards controlling complex physical systems efficiently.

Robot policy learning benefits from world-action models that capture environment dynamics, but pixel-level prediction entangles dynamics with nuisance factors such as lighting and texture, making learned representations vulnerable to task-irrelevant visual variation. We propose JOPAT, a JOint Pixel-And-Track World-Action Model that predicts latent visual observations, 2D point tracks with visibility, and actions in a single denoising diffusion transformer. The key insight is that tracks provide an explicit representation of motion that captures long-horizon dynamics and remains robust under occlusion or partial out-of-frame motion, offering greater utility than modeling pixel appearance alone. On LIBERO and real-world LeRobot tasks, JOPAT improves over pixel-based baselines, with the largest gains on long-horizon tasks involving occlusion, object interaction, and off-screen motion.

Plug-and-Play (PnP) methods with generative priors have achieved strong performance in inverse problems, with recent flow matching models enabling fast and scalable reconstruction. However, a key challenge in PnP methods is maintaining consistency between data fidelity updates and the learned generative prior, as data-consistency steps can move iterates away from the flow trajectory. We propose an ADMM-based PnP framework for flow matching priors that enforces stronger consistency between the measurement model and the prior through auxiliary variables and dual updates. In addition, we introduce a trajectory correction mechanism that restores consistency with the flow via a combination of deterministic and stochastic projections. Our method provides a more principled integration of flow priors within PnP frameworks, achieving high-quality reconstructions with reduced computational cost.

The latest advances of diffusion models in biomolecular structure prediction are still based on distance-based supervised training without adequately accounting for physically plausible interactions needed for real-world drug discovery. We introduce $\mathit{\boldsymbol{\pi}\text{-Fold}}$, a novel physics-informed policy-based folding approach that augments reinforcement learning with physics-aware scoring functions for training biomolecular diffusion models. Specifically, we fine-tune AlphaFold3-based models using Group Relative Policy Optimization and explicit physics-based rewards such as Rosetta all-atom energy, AutoDock Vina binding affinity, and ligand strain energy. Crucially, we demonstrate that these physics-based priors translate to enhanced performance on critical downstream prediction tasks. $\mathit{\boldsymbol{\pi}\text{-Fold}}$ achieves state-of-the-art results on SKEMPI for protein--protein mutation effects, CASP16 and OpenFE for protein--ligand binding affinities, Run-N-Poses for ligand geometric validity and interface quality across diverse structural fidelity metrics. On FoldBench, $\mathit{\boldsymbol{\pi}\text{-Fold}}$ achieves the best overall MolProbity score of 1.30, halving steric clashes and nearly eliminating rotamer outliers. Human evaluation further confirms that $\mathit{\boldsymbol{\pi}\text{-Fold}}$ generates structures that are meaningful for downstream drug discovery applications. Our code is available at \href{https://anonymous.4open.science/r/pifold-45B8/README.md}{github.com/anonymous/pifold}.

Most practical high-resolution text-to-image systems rely on latent diffusion models, where generation is performed in a compact latent space and a decoder maps latents back to pixels. Yet the latent-to-pixel decoder in this pipeline remains primarily reconstruction-oriented: as the sole pathway from latents to pixels, it is optimized to invert an encoder rather than to synthesize high-resolution details, and becomes increasingly costly in megapixel pipelines. This gap calls for a more expressive and efficient decoding paradigm. Motivated by recent progress in scalable pixel-space diffusion, we introduce **PiD**, a **Pi**xel diffusion **D**ecoder that reformulates latent decoding as conditional pixel diffusion, unifying decoding and upsampling into one generative module. By denoising directly in high-resolution pixel space, PiD synthesizes $4\times$and even $8\times$ upscaled images with low latency. For latent conditioning, a lightweight sigma-aware adapter injects noise-corrupted latents into the backbone, enabling PiD to handle partially denoised states and terminate the base diffusion process early. To further improve efficiency, we distill the decoder using DMD2, reducing inference to just $4$ steps. PiD applies to both conventional VAE latents and semantic latents (e.g., SigLIP, DINOv2) used in recent RAE-based models. Across multiple latent spaces and base generators, PiD improves visual fidelity over conventional decode-then-upsample cascades while reducing memory and latency, decoding latents of $512{\times}512$ images into $2048{\times}2048$ pixels in under $1$ second with $13$ GB peak memory on a consumer RTX 5090, and as fast as $210$ ms on a data-center GPU, about $6{\times}$ faster than cascaded diffusion-based super-resolution pipelines.

Video diffusion models can generate realistic process videos, but using them as controllable surrogates for industrial systems remains difficult when key control variables are only partially observable and no simulator or differentiable physics model is available. We study this regime in inertial confinement fusion (ICF) target capsule polishing, where surface defects can degrade fusion yield. The dynamics are governed by the polishing speed $\omega_p$ and capsule-pad slip $S_C$. While capsule motion can be monitored from video, $S_C$ is only indirectly observable. Using only an analytical kinematic model, we adapt a frozen Stable Video Diffusion (SVD-xt) backbone via LoRA and condition the generation on Fourier-encoded physics parameters $(\omega_p, S_C)$. Two training objectives operate on latent frame-difference dynamics: (i) a batch level correlation loss aligning them with the analytical sliding speed, and (ii) a stratified ratio-matching loss that, conditioned on $\omega_p$, isolates slip structure from the dominant $\omega_p$-driven variance. We evaluate physics consistency by tracking capsule motion in generated videos, inverting the kinematic model, and measuring rank agreement under a physical validity gate. For speed, rank accuracy exceeds $0.97$ on real data; for slip, it reaches $0.735$ with Spearman $\ge 0.50$ on synthetic data. Overall, the results suggest a practical recipe for controllable industrial video surrogates when only low-dimensional analytical kinematics are available.

While diffusion models have revolutionized image generation and editing, achieving physically realistic object removal remains a challenge. Physically realistic object removal posits that if an object ceases to exist, all its directly associated transient physical effects must also vanish. However, existing methods either confine the removal strictly to the masked region or limit "side effects" to simple shadows and reflections, ignoring complex interactions like caustics, emitted light, and volumetric media. Furthermore, they struggle with transparent objects, destroying the underlying background semantics. To bridge these gaps, we formalize the task of physically realistic object removal and propose PhysRemover, a unified framework addressing both the elimination of objects with their physical effects and the handling of transparent materials. Specifically, we incorporate an In-Context Contrastive Guidance mechanism guided by both masked and unmasked image, coupled with a Learnable Removal Trigger. This design effectively resolves the conflict between erasing the object and its physical side effects, and preserving the underlying background. Furthermore, we introduce PhyTrace, a large-scale image dataset capturing diverse physical effects, along with two benchmarks tailored for the proposed task of physically realistic object removal. Additionally, we develop a novel metric, PhysRM, for evaluating object removal quality, establishing a new standard for physically realistic image editing. Extensive experiments demonstrate that PhysRemover effectively eliminates objects and their physical side effects while faithfully preserving the background when removing transparent objects, outperforming existing methods in these challenging settings.

Diffusion models are central to generative modeling and have been adapted to graphs by diffusing adjacency matrix representations. The challenge of having up to $n!$ such representations for graphs with $n$ nodes is only partially mitigated by using permutation-equivariant learning architectures. Despite their computational efficiency, existing graph diffusion models struggle to distinguish certain graph families and their spectra, unless graph data are augmented with ad hoc features. This shortcoming stems from enforcing the inductive bias within the learning architecture. In this work, we leverage random matrix theory to analytically extract the spectral properties of the diffusion process, allowing us to push most of the inductive bias from the architecture into the dynamics. Building on this, we introduce the Dyson Diffusion Model, which employs Dyson's Brownian motion to capture the spectral dynamics of an Ornstein-Uhlenbeck process on the adjacency matrix. Furthermore, conditioned on the spectral dynamics, we formulate a Lie group diffusion, appropriately modeling the remaining degrees of freedom. Strikingly, the resulting learning problem becomes permutation invariant at the Lie algebra level. We demonstrate that the Dyson Diffusion Model learns graph spectra accurately and outperforms existing graph diffusion models.

Large-scale visual generative models have achieved remarkable performance. However, their high computational and memory costs make deployment challenging in resource-constrained scenarios, such as interactive applications and personal single-GPU usage. Post-training quantization (PTQ) offers a practical solution by compressing pretrained models without expensive retraining. However, existing PTQ methods still suffer from severe quality degradation under extremely low-bit settings. In this paper, we identify channel ordering as an important but underexplored factor in per-group quantization. In this setting, each contiguous group shares one quantization scale. When channels with very different statistics are placed in the same group, the scale can be dominated by outliers and cause large quantization errors. Based on this observation, we propose PermuQuant, a simple and effective PTQ framework for low-bit diffusion models. PermuQuant sorts channels by a joint second-moment criterion before per-group quantization, placing channels with similar activation and weight statistics into the same group. It further uses a calibration-based acceptance rule to apply reordering only when the selected permutation reduces quantization error on calibration data. The selected permutations are absorbed into adjacent modules or applied to weights offline, avoiding explicit runtime permutation operations. Extensive experiments on multiple large diffusion models show that PermuQuant consistently reduces quantization error and outperforms existing PTQ baselines. On FLUX.1-dev with an NVIDIA RTX 5090, PermuQuant achieves up to a 1.8$\times$ single step speedup and reduces the DiT memory footprint by 3.5$\times$ under W4A4 NVFP4 quantization.

Score-based diffusion is well-studied at the mixture level—averaged over the prior—but many practical pipelines (posterior sampling, SDEdit, OOD detection) fix the starting point and care about the per-start output. To our knowledge, this per-starting-point regime has no prior non-asymptotic analysis. We give two coupled bounds: a *plausibility* upper bound on how close the per-start output is to the data distribution, and a matching *diversity* lower bound on how distinguishable outputs from two different starts remain. The same score-contraction rate governs both—where plausibility is tight, diversity is vacuous, and vice versa—predicting a sharp horizon beyond which starting-point identity is erased. We illustrate the phenomenon qualitatively on 2D toy datasets, MNIST, and CIFAR-10.

Predicting spatial gene expression from histopathology images enables transcriptomic analysis on archival H\&E samples where matched spatial transcriptomics data is unavailable. Gene expression is organized through cyclic regulatory circuits: transcription factor complexes are themselves products of regulated genes, aggregating upstream gene activity and modulating co-expressed downstream programs (e.g., the ISGF3 complex coordinating hundreds of interferon-stimulated genes through shared cis-regulatory elements). Existing approaches to histology-to-expression prediction, both deterministic and generative, employ generic architectures that ignore this structure. We introduce regulator attention, a mechanism that encodes this cycle by pooling gene representations into a small set of content-dependent tokens via a learned selector and routing them back through cross-attention to modulate gene-level features, in contrast to learnable token arrays whose identity is independent of the input. Within a flow matching framework conditioned on pathology foundation model embeddings, regulator attention consistently outperforms deterministic and generative baselines on correlation-based metrics across four tissue types spanning human cancer, normal tissue, and cross-species samples, with substantial gains on highly variable genes. Beyond predictive accuracy, 87.5\% of regulator tokens align with known biological pathways without supervision. Replacing them with content-independent learned queries eliminates this specialization and degrades predictive performance, isolating content-dependent token generation as the causal mechanism.

Flow Matching is a powerful framework for learning transport maps between probability distributions. Yet its standard single-parameter formulation is not designed to capture multi-parameter variations where the resulting transport should be path-independent. Path independence is crucial because it ensures that transformations depend only on the initial and target distributions, not on the specific path. In this work, we introduce \textit{Path-independent Flow Matching (PiFM)}, a method for learning vector fields whose induced flows yield path-independent transport between distributions. We show that PiFM generalizes Flow Matching to higher-dimensional parameter domains while enforcing structural conditions that ensure consistency of composed transformations. In addition, we show that, under suitable assumptions, PiFM approximates the Wasserstein barycenter, linking the framework to a notion of distributional interpolation. To enable practical training, we propose a tractable, simulation-free objective that regresses onto multi-parameter conditional probability paths. We showcase empirically that PiFM outperforms other approaches on both synthetic and real world data in interpolating path-independent trajectories and generating desired out of distribution samples. Our code is available at \url{https://anonymous.4open.science/r/Pi_flow_matching-C83F/}.

Dataset distillation compresses large datasets into compact synthetic sets with comparable performance in training models. Despite recent progress on diffusion-based distillation, such methods typically rely on heuristic guidance or prototype assignment over long denoising chains, which increases sampling cost and makes prototype-consistent control harder under strong guidance or low IPC. We propose \emph{Path-Guided Flow Matching (PGFM)}, the first flow matching-based framework for generative distillation, which enables deterministic synthesis by solving an ODE in a few steps. In particular, we introduce a retrieval-based prototype inversion stage that identifies prototype-consistent initial noises for class prototypes on the frozen flow manifold, and further develop an anchor-guided residual correction strategy for bounded stage-wise control. This design follows a controlled-transport principle: retrieval reduces initialization mismatch, while anchor guidance provides a bounded residual correction along the flow trajectory. Extensive experiments across high-resolution benchmarks demonstrate that PGFM matches or surpasses prior diffusion-based distillation approaches with fewer sampling steps while delivering competitive performance with improved efficiency.

Continuous-token autoregressive (AR) generation directly models continuous signals without discretizing them into vocabulary tokens, but suffers from a severe train--inference mismatch: teacher-forced training conditions on ground-truth prefixes, whereas inference conditions on model-generated continuous tokens. This mismatch becomes especially severe in pixel-space image generation, where each token is a high-dimensional raw pixel patch and autoregressive errors can accumulate over generation steps. Rollout-based training can reduce this mismatch but is prohibitively slow, especially when each token is produced by a multi-step diffusion head. We propose \emph{Parallel Rollout Approximation} (PRA), which approximates rollout-based training by constructing training inputs in parallel at all positions. PRA combines a shared one-step denoiser with an end-to-end learned low-dimensional intermediate state, aligning these constructed training inputs with inference-time generated outputs without relying on a separately pretrained tokenizer. On class-conditional ImageNet-1K generation at 256$\times$256 resolution, even PRA-S with 135M parameters achieves an FID of 2.58, surpassing the previous billion-scale pixel-space AR result of 3.60. Scaling to PRA-L (511M) further improves FID to 1.94, establishing a new state of the art among pixel-space AR models and substantially narrowing the gap to pixel-space diffusion models. Beyond generation, PRA achieves higher ImageNet classification probing accuracy than latent-space AR baselines, suggesting its potential for unified pixel-space image generation and understanding.

Flow matching and diffusion models achieve high-quality generation by solving continuous-time generative dynamics, but their sampling remains inherently sequential and costly. Parallel sampling reduces wall-clock latency, yet often requires many function evaluations (NFEs) due to inaccurate future-state initialization and repeated correction. We propose ParaPC-FM, a fixed-point predictor--corrector framework that unifies high-order solver correction and future-state initialization, enabling both components to be incorporated into different parallel samplers. In particular, our UniP-based truncated initialization reuses past velocity predictions to estimate future states more accurately, reducing correction iterations and NFEs with almost no additional overhead. On a ParaDiGMS-style framework, ParaPC-FM achieves up to $1.25\times$ and $1.49\times$ speedups on FLUX.1-dev at $50$ and $100$ steps, and up to $1.22\times$ and $1.16\times$ speedups on Stable Diffusion 3 and Stable Diffusion 3.5 at $50$ steps. When integrated into ParaTAA, the proposed initialization further achieves up to $1.17\times$ speedup at $50$ steps. Importantly, these acceleration gains are obtained while keeping image quality nearly unchanged.

Modern text-to-image models produce high-fidelity images but still struggle with compositional prompts that require instance identity, attribute ownership, counting, spatial ordering, and role-sensitive relations. We introduce *Panoptic Scene Program Diffusion Transformer* (PSP-DiT), a diffusion-transformer architecture that treats a panoptic scene program as a first-class latent variable rather than an external control signal or post-hoc parse. PSP-DiT jointly denoises image latents and scene-program latents through coupled transformer streams, while panoptic grounding and cycle-consistency objectives tie object instances, attributes, relations, and counts to visual support in the generated image. Under matched training and inference settings, PSP-DiT improves over a strong flat-text baseline across GenEval 2, SANEval-Simple, PSG-Score, and DetailMaster, with the largest gains on counting, attribute binding, role-sensitive relations, and long structured prompts. The method preserves image quality, adds modest inference overhead, and remains robust to imperfect scene programs.

Diffusion large language models (dLLMs) generate text by iteratively denoising masked token sequences. Although dLLMs can predict all masked positions in parallel within each step, the large number of denoising iterations still makes inference expensive. This cost can be reduced spatially by unmasking multiple tokens per step, or temporally by collapsing multiple denoising steps into one verification call. We propose Parallel Speculative Decoding (PSD), a training-free framework that jointly improves inference along both axes. Using the confidence scores from a single forward pass, PSD selects positions to unmask via a configurable, adaptive unmasking policy and constructs multi-depth speculative drafts without extra model calls. A final batched verification pass then applies hierarchical acceptance, keeping the deepest draft that remains consistent with the updated predictions. Experiments on three dLLMs across reasoning and code generation tasks show that PSD achieves favorable trade-offs between inference efficiency and generation quality, reaching up to $5.5\times$ tokens per forward pass with accuracy comparable to greedy decoding.