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Dec 11

MatterGen: a generative model for inorganic materials design

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly generating entirely novel materials given desired property constraints. Despite recent progress, current generative models have low success rate in proposing stable crystals, or can only satisfy a very limited set of property constraints. Here, we present MatterGen, a model that generates stable, diverse inorganic materials across the periodic table and can further be fine-tuned to steer the generation towards a broad range of property constraints. To enable this, we introduce a new diffusion-based generative process that produces crystalline structures by gradually refining atom types, coordinates, and the periodic lattice. We further introduce adapter modules to enable fine-tuning towards any given property constraints with a labeled dataset. Compared to prior generative models, structures produced by MatterGen are more than twice as likely to be novel and stable, and more than 15 times closer to the local energy minimum. After fine-tuning, MatterGen successfully generates stable, novel materials with desired chemistry, symmetry, as well as mechanical, electronic and magnetic properties. Finally, we demonstrate multi-property materials design capabilities by proposing structures that have both high magnetic density and a chemical composition with low supply-chain risk. We believe that the quality of generated materials and the breadth of MatterGen's capabilities represent a major advancement towards creating a universal generative model for materials design.

  • 21 authors
·
Dec 6, 2023

MatterGPT: A Generative Transformer for Multi-Property Inverse Design of Solid-State Materials

Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potential, their adoption has been hindered by limitations such as inefficiency, architectural constraints and restricted open-source availability. The representation of crystal structures using the SLICES (Simplified Line-Input Crystal-Encoding System) notation as a string of characters enables the use of state-of-the-art natural language processing models, such as Transformers, for crystal design. Drawing inspiration from the success of GPT models in generating coherent text, we trained a generative Transformer on the next-token prediction task to generate solid-state materials with targeted properties. We demonstrate MatterGPT's capability to generate de novo crystal structures with targeted single properties, including both lattice-insensitive (formation energy) and lattice-sensitive (band gap) properties. Furthermore, we extend MatterGPT to simultaneously target multiple properties, addressing the complex challenge of multi-objective inverse design of crystals. Our approach showcases high validity, uniqueness, and novelty in generated structures, as well as the ability to generate materials with properties beyond the training data distribution. This work represents a significant step forward in computational materials discovery, offering a powerful and open tool for designing materials with tailored properties for various applications in energy, electronics, and beyond.

  • 8 authors
·
Aug 14, 2024

CLAY: A Controllable Large-scale Generative Model for Creating High-quality 3D Assets

In the realm of digital creativity, our potential to craft intricate 3D worlds from imagination is often hampered by the limitations of existing digital tools, which demand extensive expertise and efforts. To narrow this disparity, we introduce CLAY, a 3D geometry and material generator designed to effortlessly transform human imagination into intricate 3D digital structures. CLAY supports classic text or image inputs as well as 3D-aware controls from diverse primitives (multi-view images, voxels, bounding boxes, point clouds, implicit representations, etc). At its core is a large-scale generative model composed of a multi-resolution Variational Autoencoder (VAE) and a minimalistic latent Diffusion Transformer (DiT), to extract rich 3D priors directly from a diverse range of 3D geometries. Specifically, it adopts neural fields to represent continuous and complete surfaces and uses a geometry generative module with pure transformer blocks in latent space. We present a progressive training scheme to train CLAY on an ultra large 3D model dataset obtained through a carefully designed processing pipeline, resulting in a 3D native geometry generator with 1.5 billion parameters. For appearance generation, CLAY sets out to produce physically-based rendering (PBR) textures by employing a multi-view material diffusion model that can generate 2K resolution textures with diffuse, roughness, and metallic modalities. We demonstrate using CLAY for a range of controllable 3D asset creations, from sketchy conceptual designs to production ready assets with intricate details. Even first time users can easily use CLAY to bring their vivid 3D imaginations to life, unleashing unlimited creativity.

  • 9 authors
·
May 30, 2024 2

DreamMat: High-quality PBR Material Generation with Geometry- and Light-aware Diffusion Models

2D diffusion model, which often contains unwanted baked-in shading effects and results in unrealistic rendering effects in the downstream applications. Generating Physically Based Rendering (PBR) materials instead of just RGB textures would be a promising solution. However, directly distilling the PBR material parameters from 2D diffusion models still suffers from incorrect material decomposition, such as baked-in shading effects in albedo. We introduce DreamMat, an innovative approach to resolve the aforementioned problem, to generate high-quality PBR materials from text descriptions. We find out that the main reason for the incorrect material distillation is that large-scale 2D diffusion models are only trained to generate final shading colors, resulting in insufficient constraints on material decomposition during distillation. To tackle this problem, we first finetune a new light-aware 2D diffusion model to condition on a given lighting environment and generate the shading results on this specific lighting condition. Then, by applying the same environment lights in the material distillation, DreamMat can generate high-quality PBR materials that are not only consistent with the given geometry but also free from any baked-in shading effects in albedo. Extensive experiments demonstrate that the materials produced through our methods exhibit greater visual appeal to users and achieve significantly superior rendering quality compared to baseline methods, which are preferable for downstream tasks such as game and film production.

  • 11 authors
·
May 27, 2024

StableMaterials: Enhancing Diversity in Material Generation via Semi-Supervised Learning

We introduce StableMaterials, a novel approach for generating photorealistic physical-based rendering (PBR) materials that integrate semi-supervised learning with Latent Diffusion Models (LDMs). Our method employs adversarial training to distill knowledge from existing large-scale image generation models, minimizing the reliance on annotated data and enhancing the diversity in generation. This distillation approach aligns the distribution of the generated materials with that of image textures from an SDXL model, enabling the generation of novel materials that are not present in the initial training dataset. Furthermore, we employ a diffusion-based refiner model to improve the visual quality of the samples and achieve high-resolution generation. Finally, we distill a latent consistency model for fast generation in just four steps and propose a new tileability technique that removes visual artifacts typically associated with fewer diffusion steps. We detail the architecture and training process of StableMaterials, the integration of semi-supervised training within existing LDM frameworks and show the advantages of our approach. Comparative evaluations with state-of-the-art methods show the effectiveness of StableMaterials, highlighting its potential applications in computer graphics and beyond. StableMaterials is publicly available at https://gvecchio.com/stablematerials.

  • 1 authors
·
Jun 13, 2024

Pandora3D: A Comprehensive Framework for High-Quality 3D Shape and Texture Generation

This report presents a comprehensive framework for generating high-quality 3D shapes and textures from diverse input prompts, including single images, multi-view images, and text descriptions. The framework consists of 3D shape generation and texture generation. (1). The 3D shape generation pipeline employs a Variational Autoencoder (VAE) to encode implicit 3D geometries into a latent space and a diffusion network to generate latents conditioned on input prompts, with modifications to enhance model capacity. An alternative Artist-Created Mesh (AM) generation approach is also explored, yielding promising results for simpler geometries. (2). Texture generation involves a multi-stage process starting with frontal images generation followed by multi-view images generation, RGB-to-PBR texture conversion, and high-resolution multi-view texture refinement. A consistency scheduler is plugged into every stage, to enforce pixel-wise consistency among multi-view textures during inference, ensuring seamless integration. The pipeline demonstrates effective handling of diverse input formats, leveraging advanced neural architectures and novel methodologies to produce high-quality 3D content. This report details the system architecture, experimental results, and potential future directions to improve and expand the framework. The source code and pretrained weights are released at: https://github.com/Tencent/Tencent-XR-3DGen.

3D Multiphase Heterogeneous Microstructure Generation Using Conditional Latent Diffusion Models

The ability to generate 3D multiphase microstructures on-demand with targeted attributes can greatly accelerate the design of advanced materials. Here, we present a conditional latent diffusion model (LDM) framework that rapidly synthesizes high-fidelity 3D multiphase microstructures tailored to user specifications. Using this approach, we generate diverse two-phase and three-phase microstructures at high resolution (volumes of 128 times 128 times 64 voxels, representing >10^6 voxels each) within seconds, overcoming the scalability and time limitations of traditional simulation-based methods. Key design features, such as desired volume fractions and tortuosities, are incorporated as controllable inputs to guide the generative process, ensuring that the output structures meet prescribed statistical and topological targets. Moreover, the framework predicts corresponding manufacturing (processing) parameters for each generated microstructure, helping to bridge the gap between digital microstructure design and experimental fabrication. While demonstrated on organic photovoltaic (OPV) active-layer morphologies, the flexible architecture of our approach makes it readily adaptable to other material systems and microstructure datasets. By combining computational efficiency, adaptability, and experimental relevance, this framework addresses major limitations of existing methods and offers a powerful tool for accelerated materials discovery.

  • 6 authors
·
Mar 12

Scalable Diffusion for Materials Generation

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials. Traditionally, models with explicit structures (e.g., graphs) have been used in modeling structural relationships in scientific data (e.g., atoms and bonds in crystals), but generating structures can be difficult to scale to large and complex systems. Another challenge in generating materials is the mismatch between standard generative modeling metrics and downstream applications. For instance, common metrics such as the reconstruction error do not correlate well with the downstream goal of discovering stable materials. In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by training a diffusion probabilistic model on these UniMat representations. Our empirical results suggest that despite the lack of explicit structure modeling, UniMat can generate high fidelity crystal structures from larger and more complex chemical systems, outperforming previous graph-based approaches under various generative modeling metrics. To better connect the generation quality of materials to downstream applications, such as discovering novel stable materials, we propose additional metrics for evaluating generative models of materials, including per-composition formation energy and stability with respect to convex hulls through decomposition energy from Density Function Theory (DFT). Lastly, we show that conditional generation with UniMat can scale to previously established crystal datasets with up to millions of crystals structures, outperforming random structure search (the current leading method for structure discovery) in discovering new stable materials.

  • 7 authors
·
Oct 18, 2023

Crystal Transformer: Self-learning neural language model for Generative and Tinkering Design of Materials

Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior performance in the generation, structure classification, and functional predictions for proteins and molecules with learned representations. However, most of the masking-based pre-trained language models are not designed for generative design, and their black-box nature makes it difficult to interpret their design logic. Here we propose BLMM Crystal Transformer, a neural network based probabilistic generative model for generative and tinkering design of inorganic materials. Our model is built on the blank filling language model for text generation and has demonstrated unique advantages in learning the "materials grammars" together with high-quality generation, interpretability, and data efficiency. It can generate chemically valid materials compositions with as high as 89.7\% charge neutrality and 84.8\% balanced electronegativity, which are more than 4 and 8 times higher compared to a pseudo random sampling baseline. The probabilistic generation process of BLMM allows it to recommend tinkering operations based on learned materials chemistry and makes it useful for materials doping. Combined with the TCSP crysal structure prediction algorithm, We have applied our model to discover a set of new materials as validated using DFT calculations. Our work thus brings the unsupervised transformer language models based generative artificial intelligence to inorganic materials. A user-friendly web app has been developed for computational materials doping and can be accessed freely at www.materialsatlas.org/blmtinker.

  • 7 authors
·
Apr 25, 2022

Generative Hierarchical Materials Search

Generative models trained at scale can now produce text, video, and more recently, scientific data such as crystal structures. In applications of generative approaches to materials science, and in particular to crystal structures, the guidance from the domain expert in the form of high-level instructions can be essential for an automated system to output candidate crystals that are viable for downstream research. In this work, we formulate end-to-end language-to-structure generation as a multi-objective optimization problem, and propose Generative Hierarchical Materials Search (GenMS) for controllable generation of crystal structures. GenMS consists of (1) a language model that takes high-level natural language as input and generates intermediate textual information about a crystal (e.g., chemical formulae), and (2) a diffusion model that takes intermediate information as input and generates low-level continuous value crystal structures. GenMS additionally uses a graph neural network to predict properties (e.g., formation energy) from the generated crystal structures. During inference, GenMS leverages all three components to conduct a forward tree search over the space of possible structures. Experiments show that GenMS outperforms other alternatives of directly using language models to generate structures both in satisfying user request and in generating low-energy structures. We confirm that GenMS is able to generate common crystal structures such as double perovskites, or spinels, solely from natural language input, and hence can form the foundation for more complex structure generation in near future.

  • 10 authors
·
Sep 10, 2024 4

Multi-property directed generative design of inorganic materials through Wyckoff-augmented transfer learning

Accelerated materials discovery is an urgent demand to drive advancements in fields such as energy conversion, storage, and catalysis. Property-directed generative design has emerged as a transformative approach for rapidly discovering new functional inorganic materials with multiple desired properties within vast and complex search spaces. However, this approach faces two primary challenges: data scarcity for functional properties and the multi-objective optimization required to balance competing tasks. Here, we present a multi-property-directed generative framework designed to overcome these limitations and enhance site symmetry-compliant crystal generation beyond P1 (translational) symmetry. By incorporating Wyckoff-position-based data augmentation and transfer learning, our framework effectively handles sparse and small functional datasets, enabling the generation of new stable materials simultaneously conditioned on targeted space group, band gap, and formation energy. Using this approach, we identified previously unknown thermodynamically and lattice-dynamically stable semiconductors in tetragonal, trigonal, and cubic systems, with bandgaps ranging from 0.13 to 2.20 eV, as validated by density functional theory (DFT) calculations. Additionally, we assessed their thermoelectric descriptors using DFT, indicating their potential suitability for thermoelectric applications. We believe our integrated framework represents a significant step forward in generative design of inorganic materials.

  • 6 authors
·
Mar 20

Tailor3D: Customized 3D Assets Editing and Generation with Dual-Side Images

Recent advances in 3D AIGC have shown promise in directly creating 3D objects from text and images, offering significant cost savings in animation and product design. However, detailed edit and customization of 3D assets remains a long-standing challenge. Specifically, 3D Generation methods lack the ability to follow finely detailed instructions as precisely as their 2D image creation counterparts. Imagine you can get a toy through 3D AIGC but with undesired accessories and dressing. To tackle this challenge, we propose a novel pipeline called Tailor3D, which swiftly creates customized 3D assets from editable dual-side images. We aim to emulate a tailor's ability to locally change objects or perform overall style transfer. Unlike creating 3D assets from multiple views, using dual-side images eliminates conflicts on overlapping areas that occur when editing individual views. Specifically, it begins by editing the front view, then generates the back view of the object through multi-view diffusion. Afterward, it proceeds to edit the back views. Finally, a Dual-sided LRM is proposed to seamlessly stitch together the front and back 3D features, akin to a tailor sewing together the front and back of a garment. The Dual-sided LRM rectifies imperfect consistencies between the front and back views, enhancing editing capabilities and reducing memory burdens while seamlessly integrating them into a unified 3D representation with the LoRA Triplane Transformer. Experimental results demonstrate Tailor3D's effectiveness across various 3D generation and editing tasks, including 3D generative fill and style transfer. It provides a user-friendly, efficient solution for editing 3D assets, with each editing step taking only seconds to complete.

  • 10 authors
·
Jul 8, 2024 1

PLaID++: A Preference Aligned Language Model for Targeted Inorganic Materials Design

Discovering novel materials is critical for technological advancements such as solar cells, batteries, and carbon capture. However, the development of new materials is constrained by a slow and expensive trial-and-error process. To accelerate this pipeline, we introduce PLaID++, a Large Language Model (LLM) fine-tuned for stable and property-guided crystal generation. We fine-tune Qwen-2.5 7B to generate crystal structures using a novel Wyckoff-based text representation. We show that generation can be effectively guided with a reinforcement learning technique based on Direct Preference Optimization (DPO), with sampled structures categorized by their stability, novelty, and space group. By encoding symmetry constraints directly into text and guiding model outputs towards desirable chemical space, PLaID++ generates structures that are thermodynamically stable, unique, and novel at a sim50\% greater rate than prior methods and conditionally generates structures with desired space group properties. Our experiments highlight the effectiveness of iterative DPO, achieving sim115\% and sim50\% improvements in unconditional and space group conditioned generation, respectively, compared to fine-tuning alone. Our work demonstrates the potential of adapting post-training techniques from natural language processing to materials design, paving the way for targeted and efficient discovery of novel materials.

  • 5 authors
·
Sep 8

Discovery and recovery of crystalline materials with property-conditioned transformers

Generative models have recently shown great promise for accelerating the design and discovery of new functional materials. Conditional generation enhances this capacity by allowing inverse design, where specific desired properties can be requested during the generation process. However, conditioning of transformer-based approaches, in particular, is constrained by discrete tokenisation schemes and the risk of catastrophic forgetting during fine-tuning. This work introduces CrystaLLM-π (property injection), a conditional autoregressive framework that integrates continuous property representations directly into the transformer's attention mechanism. Two architectures, Property-Key-Value (PKV) Prefix attention and PKV Residual attention, are presented. These methods bypass inefficient sequence-level tokenisation and preserve foundational knowledge from unsupervised pre-training on Crystallographic Information Files (CIFs) as textual input. We establish the efficacy of these mechanisms through systematic robustness studies and evaluate the framework's versatility across two distinct tasks. First, for structure recovery, the model processes high-dimensional, heterogeneous X-ray diffraction patterns, achieving structural accuracy competitive with specialised models and demonstrating applications to experimental structure recovery and polymorph differentiation. Second, for materials discovery, the model is fine-tuned on a specialised photovoltaic dataset to generate novel, stable candidates validated by Density Functional Theory (DFT). It implicitly learns to target optimal band gap regions for high photovoltaic efficiency, demonstrating a capability to map complex structure-property relationships. CrystaLLM-π provides a unified, flexible, and computationally efficient framework for inverse materials design.

  • 8 authors
·
Nov 26

Minute-Long Videos with Dual Parallelisms

Diffusion Transformer (DiT)-based video diffusion models generate high-quality videos at scale but incur prohibitive processing latency and memory costs for long videos. To address this, we propose a novel distributed inference strategy, termed DualParal. The core idea is that, instead of generating an entire video on a single GPU, we parallelize both temporal frames and model layers across GPUs. However, a naive implementation of this division faces a key limitation: since diffusion models require synchronized noise levels across frames, this implementation leads to the serialization of original parallelisms. We leverage a block-wise denoising scheme to handle this. Namely, we process a sequence of frame blocks through the pipeline with progressively decreasing noise levels. Each GPU handles a specific block and layer subset while passing previous results to the next GPU, enabling asynchronous computation and communication. To further optimize performance, we incorporate two key enhancements. Firstly, a feature cache is implemented on each GPU to store and reuse features from the prior block as context, minimizing inter-GPU communication and redundant computation. Secondly, we employ a coordinated noise initialization strategy, ensuring globally consistent temporal dynamics by sharing initial noise patterns across GPUs without extra resource costs. Together, these enable fast, artifact-free, and infinitely long video generation. Applied to the latest diffusion transformer video generator, our method efficiently produces 1,025-frame videos with up to 6.54times lower latency and 1.48times lower memory cost on 8timesRTX 4090 GPUs.

  • 5 authors
·
May 27 2

Boosting 3D Object Generation through PBR Materials

Automatic 3D content creation has gained increasing attention recently, due to its potential in various applications such as video games, film industry, and AR/VR. Recent advancements in diffusion models and multimodal models have notably improved the quality and efficiency of 3D object generation given a single RGB image. However, 3D objects generated even by state-of-the-art methods are still unsatisfactory compared to human-created assets. Considering only textures instead of materials makes these methods encounter challenges in photo-realistic rendering, relighting, and flexible appearance editing. And they also suffer from severe misalignment between geometry and high-frequency texture details. In this work, we propose a novel approach to boost the quality of generated 3D objects from the perspective of Physics-Based Rendering (PBR) materials. By analyzing the components of PBR materials, we choose to consider albedo, roughness, metalness, and bump maps. For albedo and bump maps, we leverage Stable Diffusion fine-tuned on synthetic data to extract these values, with novel usages of these fine-tuned models to obtain 3D consistent albedo UV and bump UV for generated objects. In terms of roughness and metalness maps, we adopt a semi-automatic process to provide room for interactive adjustment, which we believe is more practical. Extensive experiments demonstrate that our model is generally beneficial for various state-of-the-art generation methods, significantly boosting the quality and realism of their generated 3D objects, with natural relighting effects and substantially improved geometry.

  • 5 authors
·
Nov 24, 2024

TexGaussian: Generating High-quality PBR Material via Octree-based 3D Gaussian Splatting

Physically Based Rendering (PBR) materials play a crucial role in modern graphics, enabling photorealistic rendering across diverse environment maps. Developing an effective and efficient algorithm that is capable of automatically generating high-quality PBR materials rather than RGB texture for 3D meshes can significantly streamline the 3D content creation. Most existing methods leverage pre-trained 2D diffusion models for multi-view image synthesis, which often leads to severe inconsistency between the generated textures and input 3D meshes. This paper presents TexGaussian, a novel method that uses octant-aligned 3D Gaussian Splatting for rapid PBR material generation. Specifically, we place each 3D Gaussian on the finest leaf node of the octree built from the input 3D mesh to render the multi-view images not only for the albedo map but also for roughness and metallic. Moreover, our model is trained in a regression manner instead of diffusion denoising, capable of generating the PBR material for a 3D mesh in a single feed-forward process. Extensive experiments on publicly available benchmarks demonstrate that our method synthesizes more visually pleasing PBR materials and runs faster than previous methods in both unconditional and text-conditional scenarios, exhibiting better consistency with the given geometry. Our code and trained models are available at https://3d-aigc.github.io/TexGaussian.

  • 9 authors
·
Nov 29, 2024

Shape-for-Motion: Precise and Consistent Video Editing with 3D Proxy

Recent advances in deep generative modeling have unlocked unprecedented opportunities for video synthesis. In real-world applications, however, users often seek tools to faithfully realize their creative editing intentions with precise and consistent control. Despite the progress achieved by existing methods, ensuring fine-grained alignment with user intentions remains an open and challenging problem. In this work, we present Shape-for-Motion, a novel framework that incorporates a 3D proxy for precise and consistent video editing. Shape-for-Motion achieves this by converting the target object in the input video to a time-consistent mesh, i.e., a 3D proxy, allowing edits to be performed directly on the proxy and then inferred back to the video frames. To simplify the editing process, we design a novel Dual-Propagation Strategy that allows users to perform edits on the 3D mesh of a single frame, and the edits are then automatically propagated to the 3D meshes of the other frames. The 3D meshes for different frames are further projected onto the 2D space to produce the edited geometry and texture renderings, which serve as inputs to a decoupled video diffusion model for generating edited results. Our framework supports various precise and physically-consistent manipulations across the video frames, including pose editing, rotation, scaling, translation, texture modification, and object composition. Our approach marks a key step toward high-quality, controllable video editing workflows. Extensive experiments demonstrate the superiority and effectiveness of our approach. Project page: https://shapeformotion.github.io/

  • 5 authors
·
Jun 27 1

LLaMP: Large Language Model Made Powerful for High-fidelity Materials Knowledge Retrieval and Distillation

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences where reproducibility is crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. Here we introduce LLaMP, a multimodal retrieval-augmented generation (RAG) framework of multiple data-aware reasoning-and-acting (ReAct) agents that dynamically interact with computational and experimental data on Materials Project (MP). Without fine-tuning, LLaMP demonstrates an ability to comprehend and integrate various modalities of materials science concepts, fetch relevant data stores on the fly, process higher-order data (such as crystal structures and elastic tensors), and summarize multi-step procedures for solid-state synthesis. We show that LLaMP effectively corrects errors in GPT-3.5's intrinsic knowledge, reducing a 5.21% MAPE on frequently-documented bandgaps and a significant 1103.54% MAPE on formation energies -- errors that GPT-3.5 seems to derive from mixed data sources. Additionally, LLaMP substantially reduces the hallucinated volumetric strain in a diamond cubic silicon structure from 66.3% to 0. The proposed framework offers an intuitive and nearly hallucination-free approach to exploring materials informatics and establishes a pathway for knowledge distillation and fine-tuning other language models. We envision the framework as a valuable component for scientific hypotheses and a foundation for future autonomous laboratories where multiple LLM agents communicate and cooperate with robotics to drive material synthesis and chemical reactions without hard-coded human logic and intervention.

  • 3 authors
·
Jan 30, 2024

DualFast: Dual-Speedup Framework for Fast Sampling of Diffusion Models

Diffusion probabilistic models (DPMs) have achieved impressive success in visual generation. While, they suffer from slow inference speed due to iterative sampling. Employing fewer sampling steps is an intuitive solution, but this will also introduces discretization error. Existing fast samplers make inspiring efforts to reduce discretization error through the adoption of high-order solvers, potentially reaching a plateau in terms of optimization. This raises the question: can the sampling process be accelerated further? In this paper, we re-examine the nature of sampling errors, discerning that they comprise two distinct elements: the widely recognized discretization error and the less explored approximation error. Our research elucidates the dynamics between these errors and the step by implementing a dual-error disentanglement strategy. Building on these foundations, we introduce an unified and training-free acceleration framework, DualFast, designed to enhance the speed of DPM sampling by concurrently accounting for both error types, thereby minimizing the total sampling error. DualFast is seamlessly compatible with existing samplers and significantly boost their sampling quality and speed, particularly in extremely few sampling steps. We substantiate the effectiveness of our framework through comprehensive experiments, spanning both unconditional and conditional sampling domains, across both pixel-space and latent-space DPMs.

  • 4 authors
·
Jun 15

Sharp-It: A Multi-view to Multi-view Diffusion Model for 3D Synthesis and Manipulation

Advancements in text-to-image diffusion models have led to significant progress in fast 3D content creation. One common approach is to generate a set of multi-view images of an object, and then reconstruct it into a 3D model. However, this approach bypasses the use of a native 3D representation of the object and is hence prone to geometric artifacts and limited in controllability and manipulation capabilities. An alternative approach involves native 3D generative models that directly produce 3D representations. These models, however, are typically limited in their resolution, resulting in lower quality 3D objects. In this work, we bridge the quality gap between methods that directly generate 3D representations and ones that reconstruct 3D objects from multi-view images. We introduce a multi-view to multi-view diffusion model called Sharp-It, which takes a 3D consistent set of multi-view images rendered from a low-quality object and enriches its geometric details and texture. The diffusion model operates on the multi-view set in parallel, in the sense that it shares features across the generated views. A high-quality 3D model can then be reconstructed from the enriched multi-view set. By leveraging the advantages of both 2D and 3D approaches, our method offers an efficient and controllable method for high-quality 3D content creation. We demonstrate that Sharp-It enables various 3D applications, such as fast synthesis, editing, and controlled generation, while attaining high-quality assets.

  • 4 authors
·
Dec 3, 2024

DreamSpace: Dreaming Your Room Space with Text-Driven Panoramic Texture Propagation

Diffusion-based methods have achieved prominent success in generating 2D media. However, accomplishing similar proficiencies for scene-level mesh texturing in 3D spatial applications, e.g., XR/VR, remains constrained, primarily due to the intricate nature of 3D geometry and the necessity for immersive free-viewpoint rendering. In this paper, we propose a novel indoor scene texturing framework, which delivers text-driven texture generation with enchanting details and authentic spatial coherence. The key insight is to first imagine a stylized 360{\deg} panoramic texture from the central viewpoint of the scene, and then propagate it to the rest areas with inpainting and imitating techniques. To ensure meaningful and aligned textures to the scene, we develop a novel coarse-to-fine panoramic texture generation approach with dual texture alignment, which both considers the geometry and texture cues of the captured scenes. To survive from cluttered geometries during texture propagation, we design a separated strategy, which conducts texture inpainting in confidential regions and then learns an implicit imitating network to synthesize textures in occluded and tiny structural areas. Extensive experiments and the immersive VR application on real-world indoor scenes demonstrate the high quality of the generated textures and the engaging experience on VR headsets. Project webpage: https://ybbbbt.com/publication/dreamspace

  • 7 authors
·
Oct 19, 2023 1

Direct2.5: Diverse Text-to-3D Generation via Multi-view 2.5D Diffusion

Recent advances in generative AI have unveiled significant potential for the creation of 3D content. However, current methods either apply a pre-trained 2D diffusion model with the time-consuming score distillation sampling (SDS), or a direct 3D diffusion model trained on limited 3D data losing generation diversity. In this work, we approach the problem by employing a multi-view 2.5D diffusion fine-tuned from a pre-trained 2D diffusion model. The multi-view 2.5D diffusion directly models the structural distribution of 3D data, while still maintaining the strong generalization ability of the original 2D diffusion model, filling the gap between 2D diffusion-based and direct 3D diffusion-based methods for 3D content generation. During inference, multi-view normal maps are generated using the 2.5D diffusion, and a novel differentiable rasterization scheme is introduced to fuse the almost consistent multi-view normal maps into a consistent 3D model. We further design a normal-conditioned multi-view image generation module for fast appearance generation given the 3D geometry. Our method is a one-pass diffusion process and does not require any SDS optimization as post-processing. We demonstrate through extensive experiments that, our direct 2.5D generation with the specially-designed fusion scheme can achieve diverse, mode-seeking-free, and high-fidelity 3D content generation in only 10 seconds. Project page: https://nju-3dv.github.io/projects/direct25.

  • 9 authors
·
Nov 27, 2023

FlashWorld: High-quality 3D Scene Generation within Seconds

We propose FlashWorld, a generative model that produces 3D scenes from a single image or text prompt in seconds, 10~100times 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 modes. 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.

  • 6 authors
·
Oct 15 2

FlexGen: Flexible Multi-View Generation from Text and Image Inputs

In this work, we introduce FlexGen, a flexible framework designed to generate controllable and consistent multi-view images, conditioned on a single-view image, or a text prompt, or both. FlexGen tackles the challenges of controllable multi-view synthesis through additional conditioning on 3D-aware text annotations. We utilize the strong reasoning capabilities of GPT-4V to generate 3D-aware text annotations. By analyzing four orthogonal views of an object arranged as tiled multi-view images, GPT-4V can produce text annotations that include 3D-aware information with spatial relationship. By integrating the control signal with proposed adaptive dual-control module, our model can generate multi-view images that correspond to the specified text. FlexGen supports multiple controllable capabilities, allowing users to modify text prompts to generate reasonable and corresponding unseen parts. Additionally, users can influence attributes such as appearance and material properties, including metallic and roughness. Extensive experiments demonstrate that our approach offers enhanced multiple controllability, marking a significant advancement over existing multi-view diffusion models. This work has substantial implications for fields requiring rapid and flexible 3D content creation, including game development, animation, and virtual reality. Project page: https://xxu068.github.io/flexgen.github.io/.

  • 8 authors
·
Oct 14, 2024

Video-Infinity: Distributed Long Video Generation

Diffusion models have recently achieved remarkable results for video generation. Despite the encouraging performances, the generated videos are typically constrained to a small number of frames, resulting in clips lasting merely a few seconds. The primary challenges in producing longer videos include the substantial memory requirements and the extended processing time required on a single GPU. A straightforward solution would be to split the workload across multiple GPUs, which, however, leads to two issues: (1) ensuring all GPUs communicate effectively to share timing and context information, and (2) modifying existing video diffusion models, which are usually trained on short sequences, to create longer videos without additional training. To tackle these, in this paper we introduce Video-Infinity, a distributed inference pipeline that enables parallel processing across multiple GPUs for long-form video generation. Specifically, we propose two coherent mechanisms: Clip parallelism and Dual-scope attention. Clip parallelism optimizes the gathering and sharing of context information across GPUs which minimizes communication overhead, while Dual-scope attention modulates the temporal self-attention to balance local and global contexts efficiently across the devices. Together, the two mechanisms join forces to distribute the workload and enable the fast generation of long videos. Under an 8 x Nvidia 6000 Ada GPU (48G) setup, our method generates videos up to 2,300 frames in approximately 5 minutes, enabling long video generation at a speed 100 times faster than the prior methods.

  • 4 authors
·
Jun 23, 2024 2

Crystal Diffusion Variational Autoencoder for Periodic Material Generation

Generating the periodic structure of stable materials is a long-standing challenge for the material design community. This task is difficult because stable materials only exist in a low-dimensional subspace of all possible periodic arrangements of atoms: 1) the coordinates must lie in the local energy minimum defined by quantum mechanics, and 2) global stability also requires the structure to follow the complex, yet specific bonding preferences between different atom types. Existing methods fail to incorporate these factors and often lack proper invariances. We propose a Crystal Diffusion Variational Autoencoder (CDVAE) that captures the physical inductive bias of material stability. By learning from the data distribution of stable materials, the decoder generates materials in a diffusion process that moves atomic coordinates towards a lower energy state and updates atom types to satisfy bonding preferences between neighbors. Our model also explicitly encodes interactions across periodic boundaries and respects permutation, translation, rotation, and periodic invariances. We significantly outperform past methods in three tasks: 1) reconstructing the input structure, 2) generating valid, diverse, and realistic materials, and 3) generating materials that optimize a specific property. We also provide several standard datasets and evaluation metrics for the broader machine learning community.

  • 5 authors
·
Oct 12, 2021

Tex4D: Zero-shot 4D Scene Texturing with Video Diffusion Models

3D meshes are widely used in computer vision and graphics for their efficiency in animation and minimal memory use, playing a crucial role in movies, games, AR, and VR. However, creating temporally consistent and realistic textures for mesh sequences remains labor-intensive for professional artists. On the other hand, while video diffusion models excel at text-driven video generation, they often lack 3D geometry awareness and struggle with achieving multi-view consistent texturing for 3D meshes. In this work, we present Tex4D, a zero-shot approach that integrates inherent 3D geometry knowledge from mesh sequences with the expressiveness of video diffusion models to produce multi-view and temporally consistent 4D textures. Given an untextured mesh sequence and a text prompt as inputs, our method enhances multi-view consistency by synchronizing the diffusion process across different views through latent aggregation in the UV space. To ensure temporal consistency, we leverage prior knowledge from a conditional video generation model for texture synthesis. However, straightforwardly combining the video diffusion model and the UV texture aggregation leads to blurry results. We analyze the underlying causes and propose a simple yet effective modification to the DDIM sampling process to address this issue. Additionally, we introduce a reference latent texture to strengthen the correlation between frames during the denoising process. To the best of our knowledge, Tex4D is the first method specifically designed for 4D scene texturing. Extensive experiments demonstrate its superiority in producing multi-view and multi-frame consistent videos based on untextured mesh sequences.

  • 3 authors
·
Oct 14, 2024 1

Procedural Generation of Grain Orientations using the Wave Function Collapse Algorithm

Statistics of grain sizes and orientations in metals correlate to the material's mechanical properties. Reproducing representative volume elements for further analysis of deformation and failure in metals, like 316L stainless steel, is particularly important due to their wide use in manufacturing goods today. Two approaches, initially created for video games, were considered for the procedural generation of representative grain microstructures. The first is the Wave Function Collapse (WFC) algorithm, and the second is constraint propagation and probabilistic inference through Markov Junior, a free and open-source software. This study aimed to investigate these two algorithms' effectiveness in using reference electron backscatter diffraction (EBSD) maps and recreating a statistically similar one that could be used in further research. It utilized two stainless steel EBSD maps as references to test both algorithms. First, the WFC algorithm was too constricting and, thus, incapable of producing images that resembled EBSDs. The second, MarkovJunior, was much more effective in creating a Voronoi tessellation that could be used to create an EBSD map in Python. When comparing the results between the reference and the generated EBSD, we discovered that the orientation and volume fractions were extremely similar. With the study, it was concluded that MarkovJunior is an effective machine learning tool that can reproduce representative grain microstructures.

  • 3 authors
·
Nov 20, 2023

DualDiff+: Dual-Branch Diffusion for High-Fidelity Video Generation with Reward Guidance

Accurate and high-fidelity driving scene reconstruction demands the effective utilization of comprehensive scene information as conditional inputs. Existing methods predominantly rely on 3D bounding boxes and BEV road maps for foreground and background control, which fail to capture the full complexity of driving scenes and adequately integrate multimodal information. In this work, we present DualDiff, a dual-branch conditional diffusion model designed to enhance driving scene generation across multiple views and video sequences. Specifically, we introduce Occupancy Ray-shape Sampling (ORS) as a conditional input, offering rich foreground and background semantics alongside 3D spatial geometry to precisely control the generation of both elements. To improve the synthesis of fine-grained foreground objects, particularly complex and distant ones, we propose a Foreground-Aware Mask (FGM) denoising loss function. Additionally, we develop the Semantic Fusion Attention (SFA) mechanism to dynamically prioritize relevant information and suppress noise, enabling more effective multimodal fusion. Finally, to ensure high-quality image-to-video generation, we introduce the Reward-Guided Diffusion (RGD) framework, which maintains global consistency and semantic coherence in generated videos. Extensive experiments demonstrate that DualDiff achieves state-of-the-art (SOTA) performance across multiple datasets. On the NuScenes dataset, DualDiff reduces the FID score by 4.09% compared to the best baseline. In downstream tasks, such as BEV segmentation, our method improves vehicle mIoU by 4.50% and road mIoU by 1.70%, while in BEV 3D object detection, the foreground mAP increases by 1.46%. Code will be made available at https://github.com/yangzhaojason/DualDiff.

  • 8 authors
·
Mar 5

DiffRenderGAN: Addressing Training Data Scarcity in Deep Segmentation Networks for Quantitative Nanomaterial Analysis through Differentiable Rendering and Generative Modelling

Nanomaterials exhibit distinctive properties governed by parameters such as size, shape, and surface characteristics, which critically influence their applications and interactions across technological, biological, and environmental contexts. Accurate quantification and understanding of these materials are essential for advancing research and innovation. In this regard, deep learning segmentation networks have emerged as powerful tools that enable automated insights and replace subjective methods with precise quantitative analysis. However, their efficacy depends on representative annotated datasets, which are challenging to obtain due to the costly imaging of nanoparticles and the labor-intensive nature of manual annotations. To overcome these limitations, we introduce DiffRenderGAN, a novel generative model designed to produce annotated synthetic data. By integrating a differentiable renderer into a Generative Adversarial Network (GAN) framework, DiffRenderGAN optimizes textural rendering parameters to generate realistic, annotated nanoparticle images from non-annotated real microscopy images. This approach reduces the need for manual intervention and enhances segmentation performance compared to existing synthetic data methods by generating diverse and realistic data. Tested on multiple ion and electron microscopy cases, including titanium dioxide (TiO_2), silicon dioxide (SiO_2)), and silver nanowires (AgNW), DiffRenderGAN bridges the gap between synthetic and real data, advancing the quantification and understanding of complex nanomaterial systems.

  • 14 authors
·
Feb 13

StyleTex: Style Image-Guided Texture Generation for 3D Models

Style-guided texture generation aims to generate a texture that is harmonious with both the style of the reference image and the geometry of the input mesh, given a reference style image and a 3D mesh with its text description. Although diffusion-based 3D texture generation methods, such as distillation sampling, have numerous promising applications in stylized games and films, it requires addressing two challenges: 1) decouple style and content completely from the reference image for 3D models, and 2) align the generated texture with the color tone, style of the reference image, and the given text prompt. To this end, we introduce StyleTex, an innovative diffusion-model-based framework for creating stylized textures for 3D models. Our key insight is to decouple style information from the reference image while disregarding content in diffusion-based distillation sampling. Specifically, given a reference image, we first decompose its style feature from the image CLIP embedding by subtracting the embedding's orthogonal projection in the direction of the content feature, which is represented by a text CLIP embedding. Our novel approach to disentangling the reference image's style and content information allows us to generate distinct style and content features. We then inject the style feature into the cross-attention mechanism to incorporate it into the generation process, while utilizing the content feature as a negative prompt to further dissociate content information. Finally, we incorporate these strategies into StyleTex to obtain stylized textures. The resulting textures generated by StyleTex retain the style of the reference image, while also aligning with the text prompts and intrinsic details of the given 3D mesh. Quantitative and qualitative experiments show that our method outperforms existing baseline methods by a significant margin.

  • 7 authors
·
Nov 1, 2024

RDTF: Resource-efficient Dual-mask Training Framework for Multi-frame Animated Sticker Generation

Recently, great progress has been made in video generation technology, attracting the widespread attention of scholars. To apply this technology to downstream applications under resource-constrained conditions, researchers usually fine-tune the pre-trained models based on parameter-efficient tuning methods such as Adapter or Lora. Although these methods can transfer the knowledge from the source domain to the target domain, fewer training parameters lead to poor fitting ability, and the knowledge from the source domain may lead to the inference process deviating from the target domain. In this paper, we argue that under constrained resources, training a smaller video generation model from scratch using only million-level samples can outperform parameter-efficient tuning on larger models in downstream applications: the core lies in the effective utilization of data and curriculum strategy. Take animated sticker generation (ASG) as a case study, we first construct a discrete frame generation network for stickers with low frame rates, ensuring that its parameters meet the requirements of model training under constrained resources. In order to provide data support for models trained from scratch, we come up with a dual-mask based data utilization strategy, which manages to improve the availability and expand the diversity of limited data. To facilitate convergence under dual-mask situation, we propose a difficulty-adaptive curriculum learning method, which decomposes the sample entropy into static and adaptive components so as to obtain samples from easy to difficult. The experiment demonstrates that our resource-efficient dual-mask training framework is quantitatively and qualitatively superior to efficient-parameter tuning methods such as I2V-Adapter and SimDA, verifying the feasibility of our method on downstream tasks under constrained resources. Code will be available.

  • 8 authors
·
Mar 22 2

Generating Compositional Scenes via Text-to-image RGBA Instance Generation

Text-to-image diffusion generative models can generate high quality images at the cost of tedious prompt engineering. Controllability can be improved by introducing layout conditioning, however existing methods lack layout editing ability and fine-grained control over object attributes. The concept of multi-layer generation holds great potential to address these limitations, however generating image instances concurrently to scene composition limits control over fine-grained object attributes, relative positioning in 3D space and scene manipulation abilities. In this work, we propose a novel multi-stage generation paradigm that is designed for fine-grained control, flexibility and interactivity. To ensure control over instance attributes, we devise a novel training paradigm to adapt a diffusion model to generate isolated scene components as RGBA images with transparency information. To build complex images, we employ these pre-generated instances and introduce a multi-layer composite generation process that smoothly assembles components in realistic scenes. Our experiments show that our RGBA diffusion model is capable of generating diverse and high quality instances with precise control over object attributes. Through multi-layer composition, we demonstrate that our approach allows to build and manipulate images from highly complex prompts with fine-grained control over object appearance and location, granting a higher degree of control than competing methods.

  • 5 authors
·
Nov 16, 2024 2

Gaussian-Flow: 4D Reconstruction with Dynamic 3D Gaussian Particle

We introduce Gaussian-Flow, a novel point-based approach for fast dynamic scene reconstruction and real-time rendering from both multi-view and monocular videos. In contrast to the prevalent NeRF-based approaches hampered by slow training and rendering speeds, our approach harnesses recent advancements in point-based 3D Gaussian Splatting (3DGS). Specifically, a novel Dual-Domain Deformation Model (DDDM) is proposed to explicitly model attribute deformations of each Gaussian point, where the time-dependent residual of each attribute is captured by a polynomial fitting in the time domain, and a Fourier series fitting in the frequency domain. The proposed DDDM is capable of modeling complex scene deformations across long video footage, eliminating the need for training separate 3DGS for each frame or introducing an additional implicit neural field to model 3D dynamics. Moreover, the explicit deformation modeling for discretized Gaussian points ensures ultra-fast training and rendering of a 4D scene, which is comparable to the original 3DGS designed for static 3D reconstruction. Our proposed approach showcases a substantial efficiency improvement, achieving a 5times faster training speed compared to the per-frame 3DGS modeling. In addition, quantitative results demonstrate that the proposed Gaussian-Flow significantly outperforms previous leading methods in novel view rendering quality. Project page: https://nju-3dv.github.io/projects/Gaussian-Flow

  • 4 authors
·
Dec 6, 2023

MaterialFusion: Enhancing Inverse Rendering with Material Diffusion Priors

Recent works in inverse rendering have shown promise in using multi-view images of an object to recover shape, albedo, and materials. However, the recovered components often fail to render accurately under new lighting conditions due to the intrinsic challenge of disentangling albedo and material properties from input images. To address this challenge, we introduce MaterialFusion, an enhanced conventional 3D inverse rendering pipeline that incorporates a 2D prior on texture and material properties. We present StableMaterial, a 2D diffusion model prior that refines multi-lit data to estimate the most likely albedo and material from given input appearances. This model is trained on albedo, material, and relit image data derived from a curated dataset of approximately ~12K artist-designed synthetic Blender objects called BlenderVault. we incorporate this diffusion prior with an inverse rendering framework where we use score distillation sampling (SDS) to guide the optimization of the albedo and materials, improving relighting performance in comparison with previous work. We validate MaterialFusion's relighting performance on 4 datasets of synthetic and real objects under diverse illumination conditions, showing our diffusion-aided approach significantly improves the appearance of reconstructed objects under novel lighting conditions. We intend to publicly release our BlenderVault dataset to support further research in this field.

  • 7 authors
·
Sep 23, 2024 2

FlexPainter: Flexible and Multi-View Consistent Texture Generation

Texture map production is an important part of 3D modeling and determines the rendering quality. Recently, diffusion-based methods have opened a new way for texture generation. However, restricted control flexibility and limited prompt modalities may prevent creators from producing desired results. Furthermore, inconsistencies between generated multi-view images often lead to poor texture generation quality. To address these issues, we introduce FlexPainter, a novel texture generation pipeline that enables flexible multi-modal conditional guidance and achieves highly consistent texture generation. A shared conditional embedding space is constructed to perform flexible aggregation between different input modalities. Utilizing such embedding space, we present an image-based CFG method to decompose structural and style information, achieving reference image-based stylization. Leveraging the 3D knowledge within the image diffusion prior, we first generate multi-view images simultaneously using a grid representation to enhance global understanding. Meanwhile, we propose a view synchronization and adaptive weighting module during diffusion sampling to further ensure local consistency. Finally, a 3D-aware texture completion model combined with a texture enhancement model is used to generate seamless, high-resolution texture maps. Comprehensive experiments demonstrate that our framework significantly outperforms state-of-the-art methods in both flexibility and generation quality.

Step1X-3D: Towards High-Fidelity and Controllable Generation of Textured 3D Assets

While generative artificial intelligence has advanced significantly across text, image, audio, and video domains, 3D generation remains comparatively underdeveloped due to fundamental challenges such as data scarcity, algorithmic limitations, and ecosystem fragmentation. To this end, we present Step1X-3D, an open framework addressing these challenges through: (1) a rigorous data curation pipeline processing >5M assets to create a 2M high-quality dataset with standardized geometric and textural properties; (2) a two-stage 3D-native architecture combining a hybrid VAE-DiT geometry generator with an diffusion-based texture synthesis module; and (3) the full open-source release of models, training code, and adaptation modules. For geometry generation, the hybrid VAE-DiT component produces TSDF representations by employing perceiver-based latent encoding with sharp edge sampling for detail preservation. The diffusion-based texture synthesis module then ensures cross-view consistency through geometric conditioning and latent-space synchronization. Benchmark results demonstrate state-of-the-art performance that exceeds existing open-source methods, while also achieving competitive quality with proprietary solutions. Notably, the framework uniquely bridges the 2D and 3D generation paradigms by supporting direct transfer of 2D control techniques~(e.g., LoRA) to 3D synthesis. By simultaneously advancing data quality, algorithmic fidelity, and reproducibility, Step1X-3D aims to establish new standards for open research in controllable 3D asset generation.

  • 18 authors
·
May 12 3

TexFusion: Synthesizing 3D Textures with Text-Guided Image Diffusion Models

We present TexFusion (Texture Diffusion), a new method to synthesize textures for given 3D geometries, using large-scale text-guided image diffusion models. In contrast to recent works that leverage 2D text-to-image diffusion models to distill 3D objects using a slow and fragile optimization process, TexFusion introduces a new 3D-consistent generation technique specifically designed for texture synthesis that employs regular diffusion model sampling on different 2D rendered views. Specifically, we leverage latent diffusion models, apply the diffusion model's denoiser on a set of 2D renders of the 3D object, and aggregate the different denoising predictions on a shared latent texture map. Final output RGB textures are produced by optimizing an intermediate neural color field on the decodings of 2D renders of the latent texture. We thoroughly validate TexFusion and show that we can efficiently generate diverse, high quality and globally coherent textures. We achieve state-of-the-art text-guided texture synthesis performance using only image diffusion models, while avoiding the pitfalls of previous distillation-based methods. The text-conditioning offers detailed control and we also do not rely on any ground truth 3D textures for training. This makes our method versatile and applicable to a broad range of geometry and texture types. We hope that TexFusion will advance AI-based texturing of 3D assets for applications in virtual reality, game design, simulation, and more.

  • 5 authors
·
Oct 20, 2023 2

TOMATOES: Topology and Material Optimization for Latent Heat Thermal Energy Storage Devices

Latent heat thermal energy storage (LHTES) systems are compelling candidates for energy storage, primarily owing to their high storage density. Improving their performance is crucial for developing the next-generation efficient and cost effective devices. Topology optimization (TO) has emerged as a powerful computational tool to design LHTES systems by optimally distributing a high-conductivity material (HCM) and a phase change material (PCM). However, conventional TO typically limits to optimizing the geometry for a fixed, pre-selected materials. This approach does not leverage the large and expanding databases of novel materials. Consequently, the co-design of material and geometry for LHTES remains a challenge and unexplored. To address this limitation, we present an automated design framework for the concurrent optimization of material choice and topology. A key challenge is the discrete nature of material selection, which is incompatible with the gradient-based methods used for TO. We overcome this by using a data-driven variational autoencoder (VAE) to project discrete material databases for both the HCM and PCM onto continuous and differentiable latent spaces. These continuous material representations are integrated into an end-to-end differentiable, transient nonlinear finite-element solver that accounts for phase change. We demonstrate this framework on a problem aimed at maximizing the discharged energy within a specified time, subject to cost constraints. The effectiveness of the proposed method is validated through several illustrative examples.

  • 3 authors
·
Oct 8

A Simple Approach to Unifying Diffusion-based Conditional Generation

Recent progress in image generation has sparked research into controlling these models through condition signals, with various methods addressing specific challenges in conditional generation. Instead of proposing another specialized technique, we introduce a simple, unified framework to handle diverse conditional generation tasks involving a specific image-condition correlation. By learning a joint distribution over a correlated image pair (e.g. image and depth) with a diffusion model, our approach enables versatile capabilities via different inference-time sampling schemes, including controllable image generation (e.g. depth to image), estimation (e.g. image to depth), signal guidance, joint generation (image & depth), and coarse control. Previous attempts at unification often introduce significant complexity through multi-stage training, architectural modification, or increased parameter counts. In contrast, our simple formulation requires a single, computationally efficient training stage, maintains the standard model input, and adds minimal learned parameters (15% of the base model). Moreover, our model supports additional capabilities like non-spatially aligned and coarse conditioning. Extensive results show that our single model can produce comparable results with specialized methods and better results than prior unified methods. We also demonstrate that multiple models can be effectively combined for multi-signal conditional generation.

  • 7 authors
·
Oct 15, 2024

Turbo2K: Towards Ultra-Efficient and High-Quality 2K Video Synthesis

Demand for 2K video synthesis is rising with increasing consumer expectations for ultra-clear visuals. While diffusion transformers (DiTs) have demonstrated remarkable capabilities in high-quality video generation, scaling them to 2K resolution remains computationally prohibitive due to quadratic growth in memory and processing costs. In this work, we propose Turbo2K, an efficient and practical framework for generating detail-rich 2K videos while significantly improving training and inference efficiency. First, Turbo2K operates in a highly compressed latent space, reducing computational complexity and memory footprint, making high-resolution video synthesis feasible. However, the high compression ratio of the VAE and limited model size impose constraints on generative quality. To mitigate this, we introduce a knowledge distillation strategy that enables a smaller student model to inherit the generative capacity of a larger, more powerful teacher model. Our analysis reveals that, despite differences in latent spaces and architectures, DiTs exhibit structural similarities in their internal representations, facilitating effective knowledge transfer. Second, we design a hierarchical two-stage synthesis framework that first generates multi-level feature at lower resolutions before guiding high-resolution video generation. This approach ensures structural coherence and fine-grained detail refinement while eliminating redundant encoding-decoding overhead, further enhancing computational efficiency.Turbo2K achieves state-of-the-art efficiency, generating 5-second, 24fps, 2K videos with significantly reduced computational cost. Compared to existing methods, Turbo2K is up to 20times faster for inference, making high-resolution video generation more scalable and practical for real-world applications.

  • 12 authors
·
Apr 19

IDArb: Intrinsic Decomposition for Arbitrary Number of Input Views and Illuminations

Capturing geometric and material information from images remains a fundamental challenge in computer vision and graphics. Traditional optimization-based methods often require hours of computational time to reconstruct geometry, material properties, and environmental lighting from dense multi-view inputs, while still struggling with inherent ambiguities between lighting and material. On the other hand, learning-based approaches leverage rich material priors from existing 3D object datasets but face challenges with maintaining multi-view consistency. In this paper, we introduce IDArb, a diffusion-based model designed to perform intrinsic decomposition on an arbitrary number of images under varying illuminations. Our method achieves accurate and multi-view consistent estimation on surface normals and material properties. This is made possible through a novel cross-view, cross-domain attention module and an illumination-augmented, view-adaptive training strategy. Additionally, we introduce ARB-Objaverse, a new dataset that provides large-scale multi-view intrinsic data and renderings under diverse lighting conditions, supporting robust training. Extensive experiments demonstrate that IDArb outperforms state-of-the-art methods both qualitatively and quantitatively. Moreover, our approach facilitates a range of downstream tasks, including single-image relighting, photometric stereo, and 3D reconstruction, highlighting its broad applications in realistic 3D content creation.

  • 6 authors
·
Dec 16, 2024 2

All that structure matches does not glitter

Generative models for materials, especially inorganic crystals, hold potential to transform the theoretical prediction of novel compounds and structures. Advancement in this field depends critically on robust benchmarks and minimal, information-rich datasets that enable meaningful model evaluation. This paper critically examines common datasets and reported metrics for a crystal structure prediction taskx2014generating the most likely structures given the chemical composition of a material. We focus on three key issues: First, materials datasets should contain unique crystal structures; for example, we show that the widely-utilized carbon-24 dataset only contains approx40% unique structures. Second, materials datasets should not be split randomly if polymorphs of many different compositions are numerous, which we find to be the case for the perov-5 dataset. Third, benchmarks can mislead if used uncritically, e.g., reporting a match rate metric without considering the structural variety exhibited by identical building blocks. To address these oft-overlooked issues, we introduce several fixes. We provide revised versions of the carbon-24 dataset: one with duplicates removed, one deduplicated and split by number of atoms N, and two containing only identical structures but with different unit cells. We also propose a new split for the perov-5 dataset which ensures polymorphs are grouped within each split subset, setting a more sensible standard for benchmarking model performance. Finally, we present METRe and cRMSE, new model evaluation metrics that can correct existing issues with the match rate metric.

  • 10 authors
·
Sep 15

An open-source robust machine learning platform for real-time detection and classification of 2D material flakes

The most widely used method for obtaining high-quality two-dimensional materials is through mechanical exfoliation of bulk crystals. Manual identification of suitable flakes from the resulting random distribution of crystal thicknesses and sizes on a substrate is a time-consuming, tedious task. Here, we present a platform for fully automated scanning, detection, and classification of two-dimensional materials, the source code of which we make openly available. Our platform is designed to be accurate, reliable, fast, and versatile in integrating new materials, making it suitable for everyday laboratory work. The implementation allows fully automated scanning and analysis of wafers with an average inference time of 100 ms for images of 2.3 Mpixels. The developed detection algorithm is based on a combination of the flakes' optical contrast toward the substrate and their geometric shape. We demonstrate that it is able to detect the majority of exfoliated flakes of various materials, with an average recall (AR50) between 67% and 89%. We also show that the algorithm can be trained with as few as five flakes of a given material, which we demonstrate for the examples of few-layer graphene, WSe_2, MoSe_2, CrI_3, 1T-TaS_2 and hexagonal BN. Our platform has been tested over a two-year period, during which more than 10^6 images of multiple different materials were acquired by over 30 individual researchers.

  • 11 authors
·
Jun 26, 2023

DreamCraft3D: Hierarchical 3D Generation with Bootstrapped Diffusion Prior

We present DreamCraft3D, a hierarchical 3D content generation method that produces high-fidelity and coherent 3D objects. We tackle the problem by leveraging a 2D reference image to guide the stages of geometry sculpting and texture boosting. A central focus of this work is to address the consistency issue that existing works encounter. To sculpt geometries that render coherently, we perform score distillation sampling via a view-dependent diffusion model. This 3D prior, alongside several training strategies, prioritizes the geometry consistency but compromises the texture fidelity. We further propose Bootstrapped Score Distillation to specifically boost the texture. We train a personalized diffusion model, Dreambooth, on the augmented renderings of the scene, imbuing it with 3D knowledge of the scene being optimized. The score distillation from this 3D-aware diffusion prior provides view-consistent guidance for the scene. Notably, through an alternating optimization of the diffusion prior and 3D scene representation, we achieve mutually reinforcing improvements: the optimized 3D scene aids in training the scene-specific diffusion model, which offers increasingly view-consistent guidance for 3D optimization. The optimization is thus bootstrapped and leads to substantial texture boosting. With tailored 3D priors throughout the hierarchical generation, DreamCraft3D generates coherent 3D objects with photorealistic renderings, advancing the state-of-the-art in 3D content generation. Code available at https://github.com/deepseek-ai/DreamCraft3D.

  • 7 authors
·
Oct 25, 2023