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Aug 12

All-atom Diffusion Transformers: Unified generative modelling of molecules and materials

Diffusion models are the standard toolkit for generative modelling of 3D atomic systems. However, for different types of atomic systems - such as molecules and materials - the generative processes are usually highly specific to the target system despite the underlying physics being the same. We introduce the All-atom Diffusion Transformer (ADiT), a unified latent diffusion framework for jointly generating both periodic materials and non-periodic molecular systems using the same model: (1) An autoencoder maps a unified, all-atom representations of molecules and materials to a shared latent embedding space; and (2) A diffusion model is trained to generate new latent embeddings that the autoencoder can decode to sample new molecules or materials. Experiments on QM9 and MP20 datasets demonstrate that jointly trained ADiT generates realistic and valid molecules as well as materials, exceeding state-of-the-art results from molecule and crystal-specific models. ADiT uses standard Transformers for both the autoencoder and diffusion model, resulting in significant speedups during training and inference compared to equivariant diffusion models. Scaling ADiT up to half a billion parameters predictably improves performance, representing a step towards broadly generalizable foundation models for generative chemistry. Open source code: https://github.com/facebookresearch/all-atom-diffusion-transformer

  • 7 authors
·
Mar 5, 2025

Seeing Voices: Generating A-Roll Video from Audio with Mirage

From professional filmmaking to user-generated content, creators and consumers have long recognized that the power of video depends on the harmonious integration of what we hear (the video's audio track) with what we see (the video's image sequence). Current approaches to video generation either ignore sound to focus on general-purpose but silent image sequence generation or address both visual and audio elements but focus on restricted application domains such as re-dubbing. We introduce Mirage, an audio-to-video foundation model that excels at generating realistic, expressive output imagery from scratch given an audio input. When integrated with existing methods for speech synthesis (text-to-speech, or TTS), Mirage results in compelling multimodal video. When trained on audio-video footage of people talking (A-roll) and conditioned on audio containing speech, Mirage generates video of people delivering a believable interpretation of the performance implicit in input audio. Our central technical contribution is a unified method for training self-attention-based audio-to-video generation models, either from scratch or given existing weights. This methodology allows Mirage to retain generality as an approach to audio-to-video generation while producing outputs of superior subjective quality to methods that incorporate audio-specific architectures or loss components specific to people, speech, or details of how images or audio are captured. We encourage readers to watch and listen to the results of Mirage for themselves (see paper and comments for links).

  • 13 authors
·
Jun 9, 2025 2

PTDiffusion: Free Lunch for Generating Optical Illusion Hidden Pictures with Phase-Transferred Diffusion Model

Optical illusion hidden picture is an interesting visual perceptual phenomenon where an image is cleverly integrated into another picture in a way that is not immediately obvious to the viewer. Established on the off-the-shelf text-to-image (T2I) diffusion model, we propose a novel training-free text-guided image-to-image (I2I) translation framework dubbed as Phase-Transferred Diffusion Model (PTDiffusion) for hidden art syntheses. PTDiffusion harmoniously embeds an input reference image into arbitrary scenes described by the text prompts, producing illusion images exhibiting hidden visual cues of the reference image. At the heart of our method is a plug-and-play phase transfer mechanism that dynamically and progressively transplants diffusion features' phase spectrum from the denoising process to reconstruct the reference image into the one to sample the generated illusion image, realizing deep fusion of the reference structural information and the textual semantic information in the diffusion model latent space. Furthermore, we propose asynchronous phase transfer to enable flexible control to the degree of hidden content discernability. Our method bypasses any model training and fine-tuning process, all while substantially outperforming related text-guided I2I methods in image generation quality, text fidelity, visual discernibility, and contextual naturalness for illusion picture synthesis, as demonstrated by extensive qualitative and quantitative experiments. Our project is publically available at https://xianggao1102.github.io/PTDiffusion_webpage/{this web page}.

  • 3 authors
·
Apr 17, 2025

Efficient Diffusion Model for Image Restoration by Residual Shifting

While diffusion-based image restoration (IR) methods have achieved remarkable success, they are still limited by the low inference speed attributed to the necessity of executing hundreds or even thousands of sampling steps. Existing acceleration sampling techniques, though seeking to expedite the process, inevitably sacrifice performance to some extent, resulting in over-blurry restored outcomes. To address this issue, this study proposes a novel and efficient diffusion model for IR that significantly reduces the required number of diffusion steps. Our method avoids the need for post-acceleration during inference, thereby avoiding the associated performance deterioration. Specifically, our proposed method establishes a Markov chain that facilitates the transitions between the high-quality and low-quality images by shifting their residuals, substantially improving the transition efficiency. A carefully formulated noise schedule is devised to flexibly control the shifting speed and the noise strength during the diffusion process. Extensive experimental evaluations demonstrate that the proposed method achieves superior or comparable performance to current state-of-the-art methods on three classical IR tasks, namely image super-resolution, image inpainting, and blind face restoration, \textbf{even only with four sampling steps}. Our code and model are publicly available at https://github.com/zsyOAOA/ResShift.

  • 3 authors
·
Mar 12, 2024

Diffusion Models for Image Restoration and Enhancement: A Comprehensive Survey

Image restoration (IR) has been an indispensable and challenging task in the low-level vision field, which strives to improve the subjective quality of images distorted by various forms of degradation. Recently, the diffusion model has achieved significant advancements in the visual generation of AIGC, thereby raising an intuitive question, "whether diffusion model can boost image restoration". To answer this, some pioneering studies attempt to integrate diffusion models into the image restoration task, resulting in superior performances than previous GAN-based methods. Despite that, a comprehensive and enlightening survey on diffusion model-based image restoration remains scarce. In this paper, we are the first to present a comprehensive review of recent diffusion model-based methods on image restoration, encompassing the learning paradigm, conditional strategy, framework design, modeling strategy, and evaluation. Concretely, we first introduce the background of the diffusion model briefly and then present two prevalent workflows that exploit diffusion models in image restoration. Subsequently, we classify and emphasize the innovative designs using diffusion models for both IR and blind/real-world IR, intending to inspire future development. To evaluate existing methods thoroughly, we summarize the commonly-used dataset, implementation details, and evaluation metrics. Additionally, we present the objective comparison for open-sourced methods across three tasks, including image super-resolution, deblurring, and inpainting. Ultimately, informed by the limitations in existing works, we propose five potential and challenging directions for the future research of diffusion model-based IR, including sampling efficiency, model compression, distortion simulation and estimation, distortion invariant learning, and framework design.

  • 8 authors
·
Aug 18, 2023

MatSpray: Fusing 2D Material World Knowledge on 3D Geometry

Manual modeling of material parameters and 3D geometry is a time consuming yet essential task in the gaming and film industries. While recent advances in 3D reconstruction have enabled accurate approximations of scene geometry and appearance, these methods often fall short in relighting scenarios due to the lack of precise, spatially varying material parameters. At the same time, diffusion models operating on 2D images have shown strong performance in predicting physically based rendering (PBR) properties such as albedo, roughness, and metallicity. However, transferring these 2D material maps onto reconstructed 3D geometry remains a significant challenge. We propose a framework for fusing 2D material data into 3D geometry using a combination of novel learning-based and projection-based approaches. We begin by reconstructing scene geometry via Gaussian Splatting. From the input images, a diffusion model generates 2D maps for albedo, roughness, and metallic parameters. Any existing diffusion model that can convert images or videos to PBR materials can be applied. The predictions are further integrated into the 3D representation either by optimizing an image-based loss or by directly projecting the material parameters onto the Gaussians using Gaussian ray tracing. To enhance fine-scale accuracy and multi-view consistency, we further introduce a light-weight neural refinement step (Neural Merger), which takes ray-traced material features as input and produces detailed adjustments. Our results demonstrate that the proposed methods outperform existing techniques in both quantitative metrics and perceived visual realism. This enables more accurate, relightable, and photorealistic renderings from reconstructed scenes, significantly improving the realism and efficiency of asset creation workflows in content production pipelines.

CGTuebingen CG Tübingen
·
Dec 20, 2025 2

One Step Diffusion-based Super-Resolution with Time-Aware Distillation

Diffusion-based image super-resolution (SR) methods have shown promise in reconstructing high-resolution images with fine details from low-resolution counterparts. However, these approaches typically require tens or even hundreds of iterative samplings, resulting in significant latency. Recently, techniques have been devised to enhance the sampling efficiency of diffusion-based SR models via knowledge distillation. Nonetheless, when aligning the knowledge of student and teacher models, these solutions either solely rely on pixel-level loss constraints or neglect the fact that diffusion models prioritize varying levels of information at different time steps. To accomplish effective and efficient image super-resolution, we propose a time-aware diffusion distillation method, named TAD-SR. Specifically, we introduce a novel score distillation strategy to align the data distribution between the outputs of the student and teacher models after minor noise perturbation. This distillation strategy enables the student network to concentrate more on the high-frequency details. Furthermore, to mitigate performance limitations stemming from distillation, we integrate a latent adversarial loss and devise a time-aware discriminator that leverages diffusion priors to effectively distinguish between real images and generated images. Extensive experiments conducted on synthetic and real-world datasets demonstrate that the proposed method achieves comparable or even superior performance compared to both previous state-of-the-art (SOTA) methods and the teacher model in just one sampling step. Codes are available at https://github.com/LearningHx/TAD-SR.

  • 11 authors
·
Aug 14, 2024

ScrollScape: Unlocking 32K Image Generation With Video Diffusion Priors

While diffusion models excel at generating images with conventional dimensions, pushing them to synthesize ultra-high-resolution imagery at extreme aspect ratios (EAR) often triggers catastrophic structural failures, such as object repetition and spatial fragmentation. This limitation fundamentally stems from a lack of robust spatial priors, as static text-to-image models are primarily trained on image distributions with conventional dimensions. To overcome this bottleneck, we present ScrollScape, a novel framework that reformulates EAR image synthesis into a continuous video generation process through two core innovations. By mapping the spatial expansion of a massive canvas to the temporal evolution of video frames, ScrollScape leverages the inherent temporal consistency of video models as a powerful global constraint to ensure long-range structural integrity. Specifically, Scanning Positional Encoding (ScanPE) distributes global coordinates across frames to act as a flexible moving camera, while Scrolling Super-Resolution (ScrollSR) leverages video super-resolution priors to circumvent memory bottlenecks, efficiently scaling outputs to an unprecedented 32K resolution. Fine-tuned on a curated 3K multi-ratio image dataset, ScrollScape effectively aligns pre-trained video priors with the EAR generation task. Extensive evaluations demonstrate that it significantly outperforms existing image-diffusion baselines by eliminating severe localized artifacts. Consequently, our method overcomes inherent structural bottlenecks to ensure exceptional global coherence and visual fidelity across diverse domains at extreme scales.

  • 5 authors
·
Mar 25 1

Microstructural Geometry Revealed by NMR Lineshape Analysis

We introduce a technique for extracting microstructural geometry from NMR lineshape analysis in porous materials at angstrom-scale resolution with the use of weak magnetic field gradients. Diverging from the generally held view of FID signals undergoing simple exponential decay, we show that a detailed analysis of the line shape can unravel structural geometry on much smaller scales than previously thought. While the original q-space PFG NMR relies on strong magnetic field gradients in order to achieve high spatial resolution, our current approach reaches comparable or higher resolution using much weaker gradients. As a model system, we simulated gas diffusion for xenon confined within carbon nanotubes over a range of temperatures and nanotube diameters in order to unveil manifestations of confinement in the diffusion behavior. We report a multiscale scheme that couples the above MD simulations with the generalized Langevin equation to estimate the transport properties of interest for this problem, such as diffusivity coefficients and NMR lineshapes, using the Green-Kubo correlation function to correctly evaluate time-dependent diffusion. Our results highlight how NMR methodologies can be adapted as effective means towards structural investigation at very small scales when dealing with complicated geometries. This method is expected to find applications in materials science, catalysis, biomedicine and other areas.

  • 2 authors
·
Oct 12, 2024

DifIISR: A Diffusion Model with Gradient Guidance for Infrared Image Super-Resolution

Infrared imaging is essential for autonomous driving and robotic operations as a supportive modality due to its reliable performance in challenging environments. Despite its popularity, the limitations of infrared cameras, such as low spatial resolution and complex degradations, consistently challenge imaging quality and subsequent visual tasks. Hence, infrared image super-resolution (IISR) has been developed to address this challenge. While recent developments in diffusion models have greatly advanced this field, current methods to solve it either ignore the unique modal characteristics of infrared imaging or overlook the machine perception requirements. To bridge these gaps, we propose DifIISR, an infrared image super-resolution diffusion model optimized for visual quality and perceptual performance. Our approach achieves task-based guidance for diffusion by injecting gradients derived from visual and perceptual priors into the noise during the reverse process. Specifically, we introduce an infrared thermal spectrum distribution regulation to preserve visual fidelity, ensuring that the reconstructed infrared images closely align with high-resolution images by matching their frequency components. Subsequently, we incorporate various visual foundational models as the perceptual guidance for downstream visual tasks, infusing generalizable perceptual features beneficial for detection and segmentation. As a result, our approach gains superior visual results while attaining State-Of-The-Art downstream task performance. Code is available at https://github.com/zirui0625/DifIISR

  • 8 authors
·
Mar 3, 2025

Consistency Trajectory Matching for One-Step Generative Super-Resolution

Current diffusion-based super-resolution (SR) approaches achieve commendable performance at the cost of high inference overhead. Therefore, distillation techniques are utilized to accelerate the multi-step teacher model into one-step student model. Nevertheless, these methods significantly raise training costs and constrain the performance of the student model by the teacher model. To overcome these tough challenges, we propose Consistency Trajectory Matching for Super-Resolution (CTMSR), a distillation-free strategy that is able to generate photo-realistic SR results in one step. Concretely, we first formulate a Probability Flow Ordinary Differential Equation (PF-ODE) trajectory to establish a deterministic mapping from low-resolution (LR) images with noise to high-resolution (HR) images. Then we apply the Consistency Training (CT) strategy to directly learn the mapping in one step, eliminating the necessity of pre-trained diffusion model. To further enhance the performance and better leverage the ground-truth during the training process, we aim to align the distribution of SR results more closely with that of the natural images. To this end, we propose to minimize the discrepancy between their respective PF-ODE trajectories from the LR image distribution by our meticulously designed Distribution Trajectory Matching (DTM) loss, resulting in improved realism of our recovered HR images. Comprehensive experimental results demonstrate that the proposed methods can attain comparable or even superior capabilities on both synthetic and real datasets while maintaining minimal inference latency.

  • 6 authors
·
Mar 26, 2025

SAM-DiffSR: Structure-Modulated Diffusion Model for Image Super-Resolution

Diffusion-based super-resolution (SR) models have recently garnered significant attention due to their potent restoration capabilities. But conventional diffusion models perform noise sampling from a single distribution, constraining their ability to handle real-world scenes and complex textures across semantic regions. With the success of segment anything model (SAM), generating sufficiently fine-grained region masks can enhance the detail recovery of diffusion-based SR model. However, directly integrating SAM into SR models will result in much higher computational cost. In this paper, we propose the SAM-DiffSR model, which can utilize the fine-grained structure information from SAM in the process of sampling noise to improve the image quality without additional computational cost during inference. In the process of training, we encode structural position information into the segmentation mask from SAM. Then the encoded mask is integrated into the forward diffusion process by modulating it to the sampled noise. This adjustment allows us to independently adapt the noise mean within each corresponding segmentation area. The diffusion model is trained to estimate this modulated noise. Crucially, our proposed framework does NOT change the reverse diffusion process and does NOT require SAM at inference. Experimental results demonstrate the effectiveness of our proposed method, showcasing superior performance in suppressing artifacts, and surpassing existing diffusion-based methods by 0.74 dB at the maximum in terms of PSNR on DIV2K dataset. The code and dataset are available at https://github.com/lose4578/SAM-DiffSR.

  • 7 authors
·
Feb 26, 2024 1

InstantRetouch: Efficient and High-Fidelity Instruction-Guided Image Retouching with Bilateral Space

Language-guided photo retouching aims to adjust color and tone while preserving geometry and texture. Recently, diffusion-based retouching shows a superior visual quality, but often struggles with both fidelity issues due to its generative nature and efficiency because of its iterative sampling process. In this work, we propose an efficient and fidelity-preserving retouching method using bilateral space manipulation, which is both compact and content-decoupled. Specifically, instead of directly editing pixels or image latents, our model predicts a low-resolution bilateral grid of affine transforms, which are sliced using a learned guidance map and then applied to the full-resolution image. This approach yields both high fidelity and improved efficiency. To retain strong priors of a pretrained generative model, we distill a multi-step diffusion model into our bilateral grid framework using Variational Score Distillation, complemented by a prompt alignment loss to guide instruction-following behavior. Additionally, we introduce a new benchmark and evaluate our method across multiple dimensions: fidelity, instruction following, and efficiency. Compared to the latest retouch methods, like Gemini-2.5-Flash (Nano-Banana), our method can avoid content drift, significantly improve latency, and generate visually pleasing edits, while maintaining a high level of fidelity. Project page: https://openimaginglab.github.io/InstantRetouch/.

  • 6 authors
·
Jun 2

Geometric-Facilitated Denoising Diffusion Model for 3D Molecule Generation

Denoising diffusion models have shown great potential in multiple research areas. Existing diffusion-based generative methods on de novo 3D molecule generation face two major challenges. Since majority heavy atoms in molecules allow connections to multiple atoms through single bonds, solely using pair-wise distance to model molecule geometries is insufficient. Therefore, the first one involves proposing an effective neural network as the denoising kernel that is capable to capture complex multi-body interatomic relationships and learn high-quality features. Due to the discrete nature of graphs, mainstream diffusion-based methods for molecules heavily rely on predefined rules and generate edges in an indirect manner. The second challenge involves accommodating molecule generation to diffusion and accurately predicting the existence of bonds. In our research, we view the iterative way of updating molecule conformations in diffusion process is consistent with molecular dynamics and introduce a novel molecule generation method named Geometric-Facilitated Molecular Diffusion (GFMDiff). For the first challenge, we introduce a Dual-Track Transformer Network (DTN) to fully excevate global spatial relationships and learn high quality representations which contribute to accurate predictions of features and geometries. As for the second challenge, we design Geometric-Facilitated Loss (GFLoss) which intervenes the formation of bonds during the training period, instead of directly embedding edges into the latent space. Comprehensive experiments on current benchmarks demonstrate the superiority of GFMDiff.

  • 5 authors
·
Jan 5, 2024

MirrorVerse: Pushing Diffusion Models to Realistically Reflect the World

Diffusion models have become central to various image editing tasks, yet they often fail to fully adhere to physical laws, particularly with effects like shadows, reflections, and occlusions. In this work, we address the challenge of generating photorealistic mirror reflections using diffusion-based generative models. Despite extensive training data, existing diffusion models frequently overlook the nuanced details crucial to authentic mirror reflections. Recent approaches have attempted to resolve this by creating synhetic datasets and framing reflection generation as an inpainting task; however, they struggle to generalize across different object orientations and positions relative to the mirror. Our method overcomes these limitations by introducing key augmentations into the synthetic data pipeline: (1) random object positioning, (2) randomized rotations, and (3) grounding of objects, significantly enhancing generalization across poses and placements. To further address spatial relationships and occlusions in scenes with multiple objects, we implement a strategy to pair objects during dataset generation, resulting in a dataset robust enough to handle these complex scenarios. Achieving generalization to real-world scenes remains a challenge, so we introduce a three-stage training curriculum to develop the MirrorFusion 2.0 model to improve real-world performance. We provide extensive qualitative and quantitative evaluations to support our approach. The project page is available at: https://mirror-verse.github.io/.

  • 3 authors
·
Apr 21, 2025

L-MAGIC: Language Model Assisted Generation of Images with Coherence

In the current era of generative AI breakthroughs, generating panoramic scenes from a single input image remains a key challenge. Most existing methods use diffusion-based iterative or simultaneous multi-view inpainting. However, the lack of global scene layout priors leads to subpar outputs with duplicated objects (e.g., multiple beds in a bedroom) or requires time-consuming human text inputs for each view. We propose L-MAGIC, a novel method leveraging large language models for guidance while diffusing multiple coherent views of 360 degree panoramic scenes. L-MAGIC harnesses pre-trained diffusion and language models without fine-tuning, ensuring zero-shot performance. The output quality is further enhanced by super-resolution and multi-view fusion techniques. Extensive experiments demonstrate that the resulting panoramic scenes feature better scene layouts and perspective view rendering quality compared to related works, with >70% preference in human evaluations. Combined with conditional diffusion models, L-MAGIC can accept various input modalities, including but not limited to text, depth maps, sketches, and colored scripts. Applying depth estimation further enables 3D point cloud generation and dynamic scene exploration with fluid camera motion. Code is available at https://github.com/IntelLabs/MMPano. The video presentation is available at https://youtu.be/XDMNEzH4-Ec?list=PLG9Zyvu7iBa0-a7ccNLO8LjcVRAoMn57s.

  • 9 authors
·
Jun 3, 2024

Diffusion-Based Material Regularization for Physics-Based Inverse Rendering

Reconstructing physics-based 3D assets -- geometry, materials, and illumination -- from multi-view images is a core problem in computer graphics and vision, and a prerequisite for realistic relighting and editing. Physics-based inverse rendering offers an accurate image-formation model, but is severely underconstrained: without strong priors, illumination is baked into materials, and reconstructions generalize poorly to novel views and lighting. Data-driven diffusion models, in contrast, predict visually plausible materials, yet their predictions rarely satisfy the rendering equation and are not directly usable for physics-based rendering. We bridge these two paradigms rather than replacing either. Our key idea is to treat the predictions of a state-of-the-art diffusion model not as target material values but as a similarity kernel for optimization: we introduce a regularization loss that penalizes deviations in the optimized material over surface regions where the diffusion predictions are near-constant, while leaving the optimization free to match the input images. Built on this regularizer, our end-to-end pipeline jointly reconstructs geometry, materials, and illumination, yielding high-quality assets that drop into standard rendering pipelines and relight faithfully. On the Synthetic4Relight, Stanford-ORB, and DTC-Synthetic datasets, our method significantly outperforms state-of-the-art baselines in both reconstruction accuracy and relighting quality.

  • 4 authors
·
Jun 29

Motion Consistency Model: Accelerating Video Diffusion with Disentangled Motion-Appearance Distillation

Image diffusion distillation achieves high-fidelity generation with very few sampling steps. However, applying these techniques directly to video diffusion often results in unsatisfactory frame quality due to the limited visual quality in public video datasets. This affects the performance of both teacher and student video diffusion models. Our study aims to improve video diffusion distillation while improving frame appearance using abundant high-quality image data. We propose motion consistency model (MCM), a single-stage video diffusion distillation method that disentangles motion and appearance learning. Specifically, MCM includes a video consistency model that distills motion from the video teacher model, and an image discriminator that enhances frame appearance to match high-quality image data. This combination presents two challenges: (1) conflicting frame learning objectives, as video distillation learns from low-quality video frames while the image discriminator targets high-quality images; and (2) training-inference discrepancies due to the differing quality of video samples used during training and inference. To address these challenges, we introduce disentangled motion distillation and mixed trajectory distillation. The former applies the distillation objective solely to the motion representation, while the latter mitigates training-inference discrepancies by mixing distillation trajectories from both the low- and high-quality video domains. Extensive experiments show that our MCM achieves the state-of-the-art video diffusion distillation performance. Additionally, our method can enhance frame quality in video diffusion models, producing frames with high aesthetic scores or specific styles without corresponding video data.

  • 9 authors
·
Jun 10, 2024

Unleashing the Power of One-Step Diffusion based Image Super-Resolution via a Large-Scale Diffusion Discriminator

Diffusion models have demonstrated excellent performance for real-world image super-resolution (Real-ISR), albeit at high computational costs. Most existing methods are trying to derive one-step diffusion models from multi-step counterparts through knowledge distillation (KD) or variational score distillation (VSD). However, these methods are limited by the capabilities of the teacher model, especially if the teacher model itself is not sufficiently strong. To tackle these issues, we propose a new One-Step Diffusion model with a larger-scale Diffusion Discriminator for SR, called D^3SR. Our discriminator is able to distill noisy features from any time step of diffusion models in the latent space. In this way, our diffusion discriminator breaks through the potential limitations imposed by the presence of a teacher model. Additionally, we improve the perceptual loss with edge-aware DISTS (EA-DISTS) to enhance the model's ability to generate fine details. Our experiments demonstrate that, compared with previous diffusion-based methods requiring dozens or even hundreds of steps, our D^3SR attains comparable or even superior results in both quantitative metrics and qualitative evaluations. Moreover, compared with other methods, D^3SR achieves at least 3times faster inference speed and reduces parameters by at least 30\%. We will release code and models at https://github.com/JianzeLi-114/D3SR.

  • 8 authors
·
Oct 5, 2024