ICLR 2026 Papers

Diffusion models have revolutionized image synthesis but raise concerns around content provenance and authenticity. Digital watermarking offers a means of tracing generated media, yet traditional schemes often introduce distributional shifts and degrade visual quality. Recent lossless methods embed watermark bits directly into the latent Gaussian prior without modifying model weights, but still require per-image key storage or heavy cryptographic overhead. In this paper, we introduce Spherical Watermark, an encryption‐free and lossless watermarking framework that integrates seamlessly with diffusion architectures. First, our binary embedding module mixes repeated watermark bits with random padding to form a high-entropy code. Second, the spherical mapping module projects this code onto the unit sphere, applies an orthogonal rotation, and scales by a chi-square-distributed radius to recover exact multivariate Gaussian noise. We theoretically prove that the watermarked noise distribution preserves the target prior up to third-order moments, and empirically demonstrate that it is statistically indistinguishable from a standard multivariate normal distribution. Adopting Stable Diffusion, extensive experiments confirm that Spherical Watermark consistently preserves high visual fidelity while simultaneously improving traceability, computational efficiency, and robustness under attacks, thereby outperforming both lossy and lossless approaches.

Modeling realistic pedestrian trajectories requires accounting for both social interactions and environmental context, yet most existing approaches largely emphasize social dynamics. We propose EnvSocial-Diff: a diffusion-based crowd simulation model informed by social physics and augmented with environmental conditioning and individual-group interaction. Our structured environmental conditioning module explicitly encodes obstacles, objects of interest, and lighting levels, providing interpretable signals that capture scene constraints and attractors. In parallel, the individual-group interaction module goes beyond individual-level modeling by capturing both fine-grained interpersonal relations and group-level conformity through a graph-based design. Experiments on multiple benchmark datasets demonstrate that EnvSocial-Diff outperforms the latest state-of-the-art methods, underscoring the importance of explicit environmental conditioning and multi-level social interaction for realistic crowd simulation.

While most reinforcement learning methods today flatten the distribution of future returns to a single scalar value, distributional RL methods exploit the return distribution to provide stronger learning signals and to enable applications in exploration and safe RL. While the predominant method for estimating the return distribution is by modeling it as a categorical distribution over discrete bins or estimating a finite number of quantiles, such approaches leave unanswered questions about the fine-grained structure of the return distribution and about how to distinguish states with high return uncertainty for decision-making. The key idea in this paper is to use modern, flexible flow-based models to estimate the full future return distributions and identify those states with high return variance. We do so by formulating a new flow-matching objective that generates probability density paths satisfying the distributional Bellman equation. Building upon the learned flow models, we estimate the return uncertainty of distinct states using a new flow derivative ODE. We additionally use this uncertainty information to prioritize learning a more accurate return estimation on certain transitions. We compare our method (Value Flows) with prior methods in the offline and online-to-online settings. Experiments on $37$ state-based and $25$ image-based benchmark tasks demonstrate that Value Flows achieves a $1.3\times$ improvement on average in success rates.

Data-driven models are increasingly adopted in critical scientific fields like weather forecasting and fluid dynamics. These methods can fail on out-of-distribution (OOD) data, but detecting such failures in regression tasks is an open challenge. We propose a new OOD detection method based on estimating joint likelihoods using a score-based diffusion model. This approach considers not just the input but also the regression model's prediction, providing a task-aware reliability score. Across numerous scientific datasets, including PDE datasets, satellite imagery and brain tumor segmentation, we show that this likelihood strongly correlates with prediction error. Our work provides a foundational step towards building a verifiable 'certificate of trust', thereby offering a practical tool for assessing the trustworthiness of AI-based scientific predictions.

This work presents MAC-Flow, a simple yet expressive framework for multi-agent coordination. We argue that requirements of effective coordination are twofold: *(i)* a rich representation of the diverse joint behaviors present in offline data and *(ii)* the ability to act efficiently in real time. However, prior approaches often sacrifice one for the other, *i.e.*, denoising diffusion-based solutions capture complex coordination but are computationally slow, while Gaussian policy-based solutions are fast but brittle in handling multi-agent interaction. MAC-Flow addresses this trade-off by first learning a flow-based representation of joint behaviors, and then distilling it into decentralized one-step policies that preserve coordination while enabling fast execution. Across four different benchmarks, including $12$ environments and $34$ datasets, MAC-Flow alleviates the trade-off between performance and computational cost, specifically achieving about $\boldsymbol{\times14.5}$ faster inference compared to diffusion-based MARL methods, while maintaining good performance. At the same time, its inference speed is similar to that of prior Gaussian policy-based offline MARL methods.

We propose FlashWorld, a generative model that produces 3D scenes from a single image or text prompt in seconds, $10 \sim 100\times$ faster than previous works while possessing superior rendering quality. Our approach shifts from the conventional multi-view-oriented (MV-oriented) paradigm, which generates multi-view images for subsequent 3D reconstruction, to a 3D-oriented approach where the model directly produces 3D Gaussian representations during multi-view generation. While ensuring 3D consistency, 3D-oriented method typically suffers poor visual quality. FlashWorld includes a dual-mode pre-training phase followed by a cross-mode post-training phase, effectively integrating the strengths of both paradigms. Specifically, leveraging the prior from a video diffusion model, we first pre-train a dual-mode multi-view diffusion model, which jointly supports MV-oriented and 3D-oriented generation mode. To bridge the quality gap in 3D-oriented generation, we further propose a cross-mode post-training distillation by matching distribution from consistent 3D-oriented mode to high-quality MV-oriented mode. This not only enhances visual quality while maintaining 3D consistency, but also reduces the required denoising steps for inference. Also, we propose a strategy to leverage massive single-view images and text prompts during this process to enhance the model's generalization to out-of-distribution inputs. Extensive experiments demonstrate the superiority and efficiency of our method. Our code is released at https://github.com/imlixinyang/FlashWorld.

Flow map models such as Consistency Models (CM) and Mean Flow (MF) enable few-step generation by learning the long jump of the ODE solution of diffusion models, yet training remains unstable, sensitive to hyperparameters, and costly. Initializing from a pre-trained diffusion model helps, but still requires converting infinitesimal steps into a long-jump map, leaving instability unresolved. We introduce *mid-training*, the first concept and practical method that inserts a lightweight intermediate stage between the (diffusion) pre-training and the final flow map training (i.e., post-training) for vision generation. Concretely, *Consistency Mid-Training* (CMT) is a compact and principled stage that trains a model to map points along a solver trajectory from a pre-trained model, starting from a prior sample, directly to the solver-generated clean sample. It yields a trajectory-consistent and stable initialization. This initializer outperforms random and diffusion-based baselines and enables fast, robust convergence without heuristics. Initializing post-training with CMT weights further simplifies flow map learning. Empirically, CMT achieves state-of-the-art two-step FIDs of 1.97 (CIFAR-10), 1.32 (ImageNet $64\times64$), and 1.84 (ImageNet $512\times512$), using up to $98$\% less training data and GPU time than CMs. On ImageNet $256\times256$, it attains 1-step FID 3.34 with $\sim50$\% less training than MF from scratch (FID 3.43). On MSCOCO T2I, CMT reaches the best FID with $\sim47$\% less training. This establishes CMT as a principled, efficient, and general framework for training flow map models. Code and models are available at https://github.com/sony/cmt.

In many real-world scenarios, obtaining fully observed samples is prohibitively expensive or even infeasible, while partial and noisy observations are comparatively easy to collect. In this work, we study distribution restoration with abundant noisy samples, assuming the corruption process is available as a black-box generator. We show that this task can be formulated as a one-sided entropic optimal transport problem and solved via an alternative minimization algorithm. We further provide a test criterion to determine whether the true underlying distribution is recoverable under per-sample information loss, and show that in otherwise unrecoverable cases, a small number of clean samples can render the distribution largely recoverable. Building on these insights, we introduce SFBD-OMNI, a bridge model-based framework that maps corrupted sample distributions to the ground-truth distribution. Our method generalizes Stochastic Forward-Backward Deconvolution (SFBD; Lu et al., 2025) to handle arbitrary measurement models beyond Gaussian corruption. Empirical studies validate our theory and demonstrate that SFBD-OMNI substantially improves recovery in the challenging regime of non-identifiable corruption processes.

Ensuring synthesizability in generative small molecule design remains a major challenge. While recent developments in synthesizable molecule generation have demonstrated promising results, these efforts have been largely confined to 2D molecular graph representations, limiting the ability to perform geometry-based conditional generation. In this work, we present SYNCOGEN (Synthesizable Co-Generation), a single framework that combines simultaneous masked graph diffusion and flow matching for synthesizable 3D molecule generation. SYNCOGEN samples from the joint distribution of molecular building blocks, chemical reactions, and atomic coordinates. To train the model, we curated SYNSPACE, a dataset containing over 600K synthesis-aware building block graphs and 3.3M conformers. SYNCOGEN achieves state-of-the-art performance in unconditional small molecule graph and conformer generation, and the model delivers competitive performance in zero-shot molecular linker design and pharmacophore conditioning for protein ligand generation in drug discovery. Overall, this multimodal formulation represents a foundation for future applications enabled by non-autoregressive molecular generation, including analog expansion, lead optimization, and direct structure conditioning.

Mixture-of-Experts (MoE) has emerged as a powerful paradigm for scaling model capacity while preserving computational efficiency. Despite its notable success in large language models (LLMs), existing attempts to apply MoE to Diffusion Transformers (DiTs) have yielded limited gains. We attribute this gap to fundamental differences between language and visual tokens. Language tokens are semantically dense with pronounced inter-token variation, while visual tokens exhibit spatial redundancy and functional heterogeneity, hindering expert specialization in vision MoE. To this end, we present $\textbf{ProMoE}$, an MoE framework featuring a two-step router with explicit routing guidance that promotes expert specialization. Specifically, this guidance encourages the router to $\textit{first}$ partition image tokens into conditional and unconditional sets via conditional routing according to their functional roles, and $\textit{second}$ refine the assignments of conditional image tokens through prototypical routing with learnable prototypes based on semantic content. Moreover, the similarity-based expert allocation in latent space enabled by prototypical routing offers a natural mechanism for incorporating explicit semantic guidance, and we validate that such guidance is crucial for vision MoE. Building on this, we propose a routing contrastive loss that explicitly enhances the prototypical routing process, promoting intra-expert coherence and inter-expert diversity. Extensive experiments on ImageNet benchmark demonstrate that ProMoE surpasses state-of-the-art methods under both Rectified Flow and DDPM training objectives. Code and models will be made publicly available.

Few-step diffusion or flow-based generative models typically distill a velocity-predicting teacher into a student that predicts a shortcut towards denoised data. This format mismatch has led to complex distillation procedures that often suffer from a quality--diversity trade-off. To address this, we propose policy-based flow models ($\pi$-Flow). $\pi$-Flow modifies the output layer of a student flow model to predict a network-free policy at one timestep. The policy then produces dynamic flow velocities at future substeps with negligible overhead, enabling fast and accurate ODE integration without extra network evaluations. To match the policy's ODE trajectory to the teacher's, we introduce a novel imitation distillation approach, which matches the policy's velocity to the teacher's along the policy's trajectory using a standard $\ell_2$ flow matching loss. By simply mimicking the teacher's behavior, $\pi$-Flow enables stable and scalable training and avoids the quality--diversity trade-off. On ImageNet $256\times 256$, it attains a 1-NFE FID of 2.85, outperforming previous 1-NFE models of the same DiT architecture. On FLUX.1-12B and Qwen-Image-20B at 4 NFEs, $\pi$-Flow achieves substantially better diversity than state-of-the-art DMD models, while maintaining teacher-level quality.

Diffusion models have attained remarkable breakthroughs in the real-world super-resolution (SR) task, albeit at slow inference and high demand on devices. To accelerate inference, recent works like GenDR adopt step distillation to minimize the step number to one. However, the memory boundary still restricts the maximum processing size, necessitating tile-by-tile restoration of high-resolution images. Through profiling the pipeline, we pinpoint that the variational auto-encoder (VAE) is the bottleneck of latency and memory. To completely solve the problem, we leverage pixel-(un)shuffle operations to eliminate the VAE, reversing the latent-based GenDR to pixel-space GenDR-Pix. However, upscale with $\times$8 pixelshuffle may induce artifacts of repeated patterns. To alleviate the distortion, we propose a multi-stage adversarial distillation to progressively remove the encoder and decoder. Specifically, we utilize generative features from the previous stage models to guide adversarial discrimination. Moreover, we propose random padding to augment generative features and avoid discriminator collapse. We also introduce a masked Fourier space loss to penalize the outliers of amplitude. To improve inference performance, we empirically integrate a padding-based self-ensemble with classifier-free guidance to improve inference scaling. Experimental results show that GenDR-Pix performs 2.8$\times$ acceleration and 60% memory-saving compared to GenDR with negligible visual degradation, surpassing other one-step diffusion SR. Against all odds, GenDR-Pix can restore 4K image in only 1 second and 6 GB.

To model discrete sequences such as DNA, proteins, and language using diffusion, practitioners must choose between three major methods: diffusion in discrete space, Gaussian diffusion in Euclidean space, or diffusion on the simplex. Despite their shared goal, these models have disparate algorithms, theoretical structures, and tradeoffs: discrete diffusion has the most natural domain, Gaussian diffusion has more mature algorithms, and diffusion on the simplex in principle combines the strengths of the other two but in practice suffers from a numerically unstable stochastic processes. Ideally we could see each of these models as instances of the same underlying framework, and enable practitioners to switch between models for downstream applications. However previous theories have only considered connections in special cases. Here we build a theory unifying all three methods of discrete diffusion as different parameterizations of the same underlying process: the Wright-Fisher population genetics model. In particular, we find simplicial and Gaussian diffusion as two large-population limits. Our theory formally connects the likelihoods and hyperparameters of these models and leverages decades of mathematical genetics literature to unlock stable simplicial diffusion. Finally, we relieve the practitioner of balancing model trade-offs by demonstrating it is possible to train a single model that can perform diffusion in any of these three domains at test time. Our experiments show that Wright-Fisher simplicial diffusion is more stable and outperforms previous simplicial diffusion models on conditional DNA generation. We also show that we can train models on multiple domains at once that are competitive with models trained on any individual domain.

The Wasserstein–Fisher–Rao (WFR) metric extends dynamic optimal transport (OT) by coupling displacement with change of mass, providing a principled geometry for modeling unbalanced snapshot dynamics. Existing WFR solvers, however, are often unstable, computationally expensive, and difficult to scale. Here we introduce **WFR Flow Matching (WFR-FM)**, a simulation-free training algorithm that unifies flow matching with dynamic unbalanced OT. Unlike classical flow matching which regresses only a transport vector field, WFR-FM simultaneously regresses a vector field for displacement and a scalar growth rate function for birth–death dynamics, yielding continuous flows under the WFR geometry. Theoretically, we show that minimizing the WFR-FM loss exactly recovers WFR geodesics. Empirically, WFR-FM yields more accurate and robust trajectory inference in single-cell biology, reconstructing consistent dynamics with proliferation and apoptosis, estimating time-varying growth fields, and applying to generative dynamics under imbalanced data. It outperforms state-of-the-art baselines in efficiency, stability, and reconstruction accuracy. Overall, WFR-FM establishes a unified and efficient paradigm for learning dynamical systems from unbalanced snapshots, where not only states but also mass evolve over time.

Generative models can generate photorealistic images at scale. This raises urgent concerns about the ability to detect synthetically generated images and attribute these images to specific sources. While watermarking has emerged as a possible solution, existing methods remain fragile to realistic distortions, susceptible to adaptive removal, and expensive to update when the underlying watermarking key changes. We propose a general watermarking framework that formulates the encoding problem as key-dependent perturbation of the parameters of a generative model. Within this framework, we introduce Mixture of LoRA Markers (MOLM), a routing-based instantiation in which binary keys activate lightweight LoRA adapters inside residual and attention blocks. This design avoids key-specific re-training and achieves the desired properties such as imperceptibility, fidelity, verifiability, and robustness. Experiments on Stable Diffusion and FLUX show that MOLM preserves image quality while achieving robust key recovery against distortions, compression and regeneration, averaging attacks, and black-box adversarial attacks on the extractor.

Uncovering the opacity of diffusion-based generative models is urgently needed, as their applications continue to expand while their underlying procedures largely remain a black box. With a critical question -- how can the diffusion generation process be interpreted and understood? -- we proposed \textit{Patronus}, an interpretable diffusion model that incorporates a prototypical network to encode semantics in visual patches, revealing \textit{what} visual patterns are learned and \textit{where} and \textit{when} they emerge throughout denoising. This interpretability of Patronus provides deeper insights into the generative mechanism, enabling the detection of shortcut learning via unwanted correlations and the tracing of semantic emergence across timesteps. We evaluate \textit{Patronus} on four natural image datasets and one medical imaging dataset, demonstrating both faithful interpretability and strong generative performance. With this work, we open new avenues for understanding and steering diffusion models through prototype-based interpretability.

Diffusion-based samplers learn to sample complex, high-dimensional distributions using energies or log densities alone, without training data. Yet, they remain impractical for molecular sampling because they are often slower than molecular dynamics and miss thermodynamically relevant modes. Inspired by enhanced sampling, we encourage exploration by introducing a sequential bias along bespoke, information-rich, low-dimensional projections of atomic coordinates known as collective variables (CVs). We introduce a repulsive potential centered on the CVs from recent samples, which pushes future samples towards novel CV regions and effectively increases the temperature in the projected space. Our resulting method improves efficiency, mode discovery, enables the estimation of free energy differences, and retains independent sampling from the approximate Boltzmann distribution via reweighting by the bias. On standard peptide conformational sampling benchmarks, the method recovers diverse conformational states and accurate free energy profiles. We are the first to demonstrate reactive sampling using a diffusion-based sampler, capturing bond breaking and formation with universal interatomic potentials at near-first-principles accuracy. The approach resolves reactive energy landscapes at a fraction of the wall-clock time of standard sampling methods, advancing diffusion-based sampling towards practical use in molecular sciences.

Diffusion Transformer models have driven the rapid advances in video generation, achieving state-of-the-art quality and flexibility. However, their attention mechanism remains a major performance bottleneck, as its dense computation scales quadratically with the sequence length. To overcome this limitation and reduce the generation latency, we propose DSA, a novel attention mechanism that integrates sparse attention with distributed inference for diffusion-based video generation. By leveraging carefully-designed parallelism strategies and scheduling, DSA significantly reduces redundant computation while preserving global context. Extensive experiments on benchmark datasets demonstrate that, when deployed on 8 GPUs, DSA achieves up to 1.43× inference speedup than the existing distributed method and 10.79× faster than single-GPU inference.

Geometric data and purpose-built generative models on them have become ubiquitous in high-impact deep learning application domains, ranging from protein backbone generation and computational chemistry to geospatial data. Current geometric generative models remain computationally expensive at inference---requiring many steps of complex numerical simulation---as they are derived from dynamical measure transport frameworks such as diffusion and flow-matching on Riemannian manifolds. In this paper, we propose Generalised Flow Maps (GFM), a new class of few-step generative models that generalises the Flow Map framework in Euclidean spaces to arbitrary Riemannian manifolds. We instantiate GFMs with three self-distillation-based training methods: Generalised Lagrangian Flow Maps, Generalised Eulerian Flow Maps, and Generalised Progressive Flow Maps. We theoretically show that GFMs, under specific design decisions, unify and elevate existing Euclidean few-step generative models, such as consistency models, shortcut models, and meanflows, to the Riemannian setting. We benchmark GFMs against other geometric generative models on a suite of geometric datasets, including geospatial data, RNA torsion angles, and hyperbolic manifolds, and achieve state-of-the-art sample quality for single- and few-step evaluations, and superior or competitive log-likelihoods using the implicit probability flow.