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Dec 11

Visual Attention Network

While originally designed for natural language processing tasks, the self-attention mechanism has recently taken various computer vision areas by storm. However, the 2D nature of images brings three challenges for applying self-attention in computer vision. (1) Treating images as 1D sequences neglects their 2D structures. (2) The quadratic complexity is too expensive for high-resolution images. (3) It only captures spatial adaptability but ignores channel adaptability. In this paper, we propose a novel linear attention named large kernel attention (LKA) to enable self-adaptive and long-range correlations in self-attention while avoiding its shortcomings. Furthermore, we present a neural network based on LKA, namely Visual Attention Network (VAN). While extremely simple, VAN surpasses similar size vision transformers(ViTs) and convolutional neural networks(CNNs) in various tasks, including image classification, object detection, semantic segmentation, panoptic segmentation, pose estimation, etc. For example, VAN-B6 achieves 87.8% accuracy on ImageNet benchmark and set new state-of-the-art performance (58.2 PQ) for panoptic segmentation. Besides, VAN-B2 surpasses Swin-T 4% mIoU (50.1 vs. 46.1) for semantic segmentation on ADE20K benchmark, 2.6% AP (48.8 vs. 46.2) for object detection on COCO dataset. It provides a novel method and a simple yet strong baseline for the community. Code is available at https://github.com/Visual-Attention-Network.

  • 5 authors
·
Feb 20, 2022

Make-An-Audio 2: Temporal-Enhanced Text-to-Audio Generation

Large diffusion models have been successful in text-to-audio (T2A) synthesis tasks, but they often suffer from common issues such as semantic misalignment and poor temporal consistency due to limited natural language understanding and data scarcity. Additionally, 2D spatial structures widely used in T2A works lead to unsatisfactory audio quality when generating variable-length audio samples since they do not adequately prioritize temporal information. To address these challenges, we propose Make-an-Audio 2, a latent diffusion-based T2A method that builds on the success of Make-an-Audio. Our approach includes several techniques to improve semantic alignment and temporal consistency: Firstly, we use pre-trained large language models (LLMs) to parse the text into structured <event & order> pairs for better temporal information capture. We also introduce another structured-text encoder to aid in learning semantic alignment during the diffusion denoising process. To improve the performance of variable length generation and enhance the temporal information extraction, we design a feed-forward Transformer-based diffusion denoiser. Finally, we use LLMs to augment and transform a large amount of audio-label data into audio-text datasets to alleviate the problem of scarcity of temporal data. Extensive experiments show that our method outperforms baseline models in both objective and subjective metrics, and achieves significant gains in temporal information understanding, semantic consistency, and sound quality.

  • 10 authors
·
May 29, 2023 1

Beyond Next-Token: Next-X Prediction for Autoregressive Visual Generation

Autoregressive (AR) modeling, known for its next-token prediction paradigm, underpins state-of-the-art language and visual generative models. Traditionally, a ``token'' is treated as the smallest prediction unit, often a discrete symbol in language or a quantized patch in vision. However, the optimal token definition for 2D image structures remains an open question. Moreover, AR models suffer from exposure bias, where teacher forcing during training leads to error accumulation at inference. In this paper, we propose xAR, a generalized AR framework that extends the notion of a token to an entity X, which can represent an individual patch token, a cell (a ktimes k grouping of neighboring patches), a subsample (a non-local grouping of distant patches), a scale (coarse-to-fine resolution), or even a whole image. Additionally, we reformulate discrete token classification as continuous entity regression, leveraging flow-matching methods at each AR step. This approach conditions training on noisy entities instead of ground truth tokens, leading to Noisy Context Learning, which effectively alleviates exposure bias. As a result, xAR offers two key advantages: (1) it enables flexible prediction units that capture different contextual granularity and spatial structures, and (2) it mitigates exposure bias by avoiding reliance on teacher forcing. On ImageNet-256 generation benchmark, our base model, xAR-B (172M), outperforms DiT-XL/SiT-XL (675M) while achieving 20times faster inference. Meanwhile, xAR-H sets a new state-of-the-art with an FID of 1.24, running 2.2times faster than the previous best-performing model without relying on vision foundation modules (\eg, DINOv2) or advanced guidance interval sampling.

  • 6 authors
·
Feb 27 2

Multimodal Molecular Pretraining via Modality Blending

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation learning. However, relying on straightforward alignment strategies that treat each modality separately, these methods fail to exploit the intrinsic correlation between 2D and 3D representations that reflect the underlying structural characteristics of molecules, and only perform coarse-grained molecule-level alignment. To derive fine-grained alignment and promote structural molecule understanding, we introduce an atomic-relation level "blend-then-predict" self-supervised learning approach, MoleBLEND, which first blends atom relations represented by different modalities into one unified relation matrix for joint encoding, then recovers modality-specific information for 2D and 3D structures individually. By treating atom relationships as anchors, MoleBLEND organically aligns and integrates visually dissimilar 2D and 3D modalities of the same molecule at fine-grained atomic level, painting a more comprehensive depiction of each molecule. Extensive experiments show that MoleBLEND achieves state-of-the-art performance across major 2D/3D molecular benchmarks. We further provide theoretical insights from the perspective of mutual-information maximization, demonstrating that our method unifies contrastive, generative (cross-modality prediction) and mask-then-predict (single-modality prediction) objectives into one single cohesive framework.

  • 7 authors
·
Jul 12, 2023

Efficient Encoding of Graphics Primitives with Simplex-based Structures

Grid-based structures are commonly used to encode explicit features for graphics primitives such as images, signed distance functions (SDF), and neural radiance fields (NeRF) due to their simple implementation. However, in n-dimensional space, calculating the value of a sampled point requires interpolating the values of its 2^n neighboring vertices. The exponential scaling with dimension leads to significant computational overheads. To address this issue, we propose a simplex-based approach for encoding graphics primitives. The number of vertices in a simplex-based structure increases linearly with dimension, making it a more efficient and generalizable alternative to grid-based representations. Using the non-axis-aligned simplicial structure property, we derive and prove a coordinate transformation, simplicial subdivision, and barycentric interpolation scheme for efficient sampling, which resembles transformation procedures in the simplex noise algorithm. Finally, we use hash tables to store multiresolution features of all interest points in the simplicial grid, which are passed into a tiny fully connected neural network to parameterize graphics primitives. We implemented a detailed simplex-based structure encoding algorithm in C++ and CUDA using the methods outlined in our approach. In the 2D image fitting task, the proposed method is capable of fitting a giga-pixel image with 9.4% less time compared to the baseline method proposed by instant-ngp, while maintaining the same quality and compression rate. In the volumetric rendering setup, we observe a maximum 41.2% speedup when the samples are dense enough.

  • 2 authors
·
Nov 26, 2023

Modeling and design of heterogeneous hierarchical bioinspired spider web structures using generative deep learning and additive manufacturing

Spider webs are incredible biological structures, comprising thin but strong silk filament and arranged into complex hierarchical architectures with striking mechanical properties (e.g., lightweight but high strength, achieving diverse mechanical responses). While simple 2D orb webs can easily be mimicked, the modeling and synthesis of 3D-based web structures remain challenging, partly due to the rich set of design features. Here we provide a detailed analysis of the heterogenous graph structures of spider webs, and use deep learning as a way to model and then synthesize artificial, bio-inspired 3D web structures. The generative AI models are conditioned based on key geometric parameters (including average edge length, number of nodes, average node degree, and others). To identify graph construction principles, we use inductive representation sampling of large experimentally determined spider web graphs, to yield a dataset that is used to train three conditional generative models: 1) An analog diffusion model inspired by nonequilibrium thermodynamics, with sparse neighbor representation, 2) a discrete diffusion model with full neighbor representation, and 3) an autoregressive transformer architecture with full neighbor representation. All three models are scalable, produce complex, de novo bio-inspired spider web mimics, and successfully construct graphs that meet the design objectives. We further propose algorithm that assembles web samples produced by the generative models into larger-scale structures based on a series of geometric design targets, including helical and parametric shapes, mimicking, and extending natural design principles towards integration with diverging engineering objectives. Several webs are manufactured using 3D printing and tested to assess mechanical properties.

  • 3 authors
·
Apr 11, 2023

Grounding 3D Object Affordance from 2D Interactions in Images

Grounding 3D object affordance seeks to locate objects' ''action possibilities'' regions in the 3D space, which serves as a link between perception and operation for embodied agents. Existing studies primarily focus on connecting visual affordances with geometry structures, e.g. relying on annotations to declare interactive regions of interest on the object and establishing a mapping between the regions and affordances. However, the essence of learning object affordance is to understand how to use it, and the manner that detaches interactions is limited in generalization. Normally, humans possess the ability to perceive object affordances in the physical world through demonstration images or videos. Motivated by this, we introduce a novel task setting: grounding 3D object affordance from 2D interactions in images, which faces the challenge of anticipating affordance through interactions of different sources. To address this problem, we devise a novel Interaction-driven 3D Affordance Grounding Network (IAG), which aligns the region feature of objects from different sources and models the interactive contexts for 3D object affordance grounding. Besides, we collect a Point-Image Affordance Dataset (PIAD) to support the proposed task. Comprehensive experiments on PIAD demonstrate the reliability of the proposed task and the superiority of our method. The project is available at https://github.com/yyvhang/IAGNet.

  • 6 authors
·
Mar 18, 2023

Learning 3D Representations from 2D Pre-trained Models via Image-to-Point Masked Autoencoders

Pre-training by numerous image data has become de-facto for robust 2D representations. In contrast, due to the expensive data acquisition and annotation, a paucity of large-scale 3D datasets severely hinders the learning for high-quality 3D features. In this paper, we propose an alternative to obtain superior 3D representations from 2D pre-trained models via Image-to-Point Masked Autoencoders, named as I2P-MAE. By self-supervised pre-training, we leverage the well learned 2D knowledge to guide 3D masked autoencoding, which reconstructs the masked point tokens with an encoder-decoder architecture. Specifically, we first utilize off-the-shelf 2D models to extract the multi-view visual features of the input point cloud, and then conduct two types of image-to-point learning schemes on top. For one, we introduce a 2D-guided masking strategy that maintains semantically important point tokens to be visible for the encoder. Compared to random masking, the network can better concentrate on significant 3D structures and recover the masked tokens from key spatial cues. For another, we enforce these visible tokens to reconstruct the corresponding multi-view 2D features after the decoder. This enables the network to effectively inherit high-level 2D semantics learned from rich image data for discriminative 3D modeling. Aided by our image-to-point pre-training, the frozen I2P-MAE, without any fine-tuning, achieves 93.4% accuracy for linear SVM on ModelNet40, competitive to the fully trained results of existing methods. By further fine-tuning on on ScanObjectNN's hardest split, I2P-MAE attains the state-of-the-art 90.11% accuracy, +3.68% to the second-best, demonstrating superior transferable capacity. Code will be available at https://github.com/ZrrSkywalker/I2P-MAE.

  • 5 authors
·
Dec 13, 2022

Pruning-based Topology Refinement of 3D Mesh using a 2D Alpha Mask

Image-based 3D reconstruction has increasingly stunning results over the past few years with the latest improvements in computer vision and graphics. Geometry and topology are two fundamental concepts when dealing with 3D mesh structures. But the latest often remains a side issue in the 3D mesh-based reconstruction literature. Indeed, performing per-vertex elementary displacements over a 3D sphere mesh only impacts its geometry and leaves the topological structure unchanged and fixed. Whereas few attempts propose to update the geometry and the topology, all need to lean on costly 3D ground-truth to determine the faces/edges to prune. We present in this work a method that aims to refine the topology of any 3D mesh through a face-pruning strategy that extensively relies upon 2D alpha masks and camera pose information. Our solution leverages a differentiable renderer that renders each face as a 2D soft map. Its pixel intensity reflects the probability of being covered during the rendering process by such a face. Based on the 2D soft-masks available, our method is thus able to quickly highlight all the incorrectly rendered faces for a given viewpoint. Because our module is agnostic to the network that produces the 3D mesh, it can be easily plugged into any self-supervised image-based (either synthetic or natural) 3D reconstruction pipeline to get complex meshes with a non-spherical topology.

  • 2 authors
·
Oct 17, 2022

SweetDreamer: Aligning Geometric Priors in 2D Diffusion for Consistent Text-to-3D

It is inherently ambiguous to lift 2D results from pre-trained diffusion models to a 3D world for text-to-3D generation. 2D diffusion models solely learn view-agnostic priors and thus lack 3D knowledge during the lifting, leading to the multi-view inconsistency problem. We find that this problem primarily stems from geometric inconsistency, and avoiding misplaced geometric structures substantially mitigates the problem in the final outputs. Therefore, we improve the consistency by aligning the 2D geometric priors in diffusion models with well-defined 3D shapes during the lifting, addressing the vast majority of the problem. This is achieved by fine-tuning the 2D diffusion model to be viewpoint-aware and to produce view-specific coordinate maps of canonically oriented 3D objects. In our process, only coarse 3D information is used for aligning. This "coarse" alignment not only resolves the multi-view inconsistency in geometries but also retains the ability in 2D diffusion models to generate detailed and diversified high-quality objects unseen in the 3D datasets. Furthermore, our aligned geometric priors (AGP) are generic and can be seamlessly integrated into various state-of-the-art pipelines, obtaining high generalizability in terms of unseen shapes and visual appearance while greatly alleviating the multi-view inconsistency problem. Our method represents a new state-of-the-art performance with an 85+% consistency rate by human evaluation, while many previous methods are around 30%. Our project page is https://sweetdreamer3d.github.io/

  • 4 authors
·
Oct 4, 2023

2DNMRGym: An Annotated Experimental Dataset for Atom-Level Molecular Representation Learning in 2D NMR via Surrogate Supervision

Two-dimensional (2D) Nuclear Magnetic Resonance (NMR) spectroscopy, particularly Heteronuclear Single Quantum Coherence (HSQC) spectroscopy, plays a critical role in elucidating molecular structures, interactions, and electronic properties. However, accurately interpreting 2D NMR data remains labor-intensive and error-prone, requiring highly trained domain experts, especially for complex molecules. Machine Learning (ML) holds significant potential in 2D NMR analysis by learning molecular representations and recognizing complex patterns from data. However, progress has been limited by the lack of large-scale and high-quality annotated datasets. In this work, we introduce 2DNMRGym, the first annotated experimental dataset designed for ML-based molecular representation learning in 2D NMR. It includes over 22,000 HSQC spectra, along with the corresponding molecular graphs and SMILES strings. Uniquely, 2DNMRGym adopts a surrogate supervision setup: models are trained using algorithm-generated annotations derived from a previously validated method and evaluated on a held-out set of human-annotated gold-standard labels. This enables rigorous assessment of a model's ability to generalize from imperfect supervision to expert-level interpretation. We provide benchmark results using a series of 2D and 3D GNN and GNN transformer models, establishing a strong foundation for future work. 2DNMRGym supports scalable model training and introduces a chemically meaningful benchmark for evaluating atom-level molecular representations in NMR-guided structural tasks. Our data and code is open-source and available on Huggingface and Github.

  • 3 authors
·
May 16

GeoDream: Disentangling 2D and Geometric Priors for High-Fidelity and Consistent 3D Generation

Text-to-3D generation by distilling pretrained large-scale text-to-image diffusion models has shown great promise but still suffers from inconsistent 3D geometric structures (Janus problems) and severe artifacts. The aforementioned problems mainly stem from 2D diffusion models lacking 3D awareness during the lifting. In this work, we present GeoDream, a novel method that incorporates explicit generalized 3D priors with 2D diffusion priors to enhance the capability of obtaining unambiguous 3D consistent geometric structures without sacrificing diversity or fidelity. Specifically, we first utilize a multi-view diffusion model to generate posed images and then construct cost volume from the predicted image, which serves as native 3D geometric priors, ensuring spatial consistency in 3D space. Subsequently, we further propose to harness 3D geometric priors to unlock the great potential of 3D awareness in 2D diffusion priors via a disentangled design. Notably, disentangling 2D and 3D priors allows us to refine 3D geometric priors further. We justify that the refined 3D geometric priors aid in the 3D-aware capability of 2D diffusion priors, which in turn provides superior guidance for the refinement of 3D geometric priors. Our numerical and visual comparisons demonstrate that GeoDream generates more 3D consistent textured meshes with high-resolution realistic renderings (i.e., 1024 times 1024) and adheres more closely to semantic coherence.

  • 6 authors
·
Nov 29, 2023 1

Image-GS: Content-Adaptive Image Representation via 2D Gaussians

Neural image representations have emerged as a promising approach for encoding and rendering visual data. Combined with learning-based workflows, they demonstrate impressive trade-offs between visual fidelity and memory footprint. Existing methods in this domain, however, often rely on fixed data structures that suboptimally allocate memory or compute-intensive implicit models, hindering their practicality for real-time graphics applications. Inspired by recent advancements in radiance field rendering, we introduce Image-GS, a content-adaptive image representation based on 2D Gaussians. Leveraging a custom differentiable renderer, Image-GS reconstructs images by adaptively allocating and progressively optimizing a group of anisotropic, colored 2D Gaussians. It achieves a favorable balance between visual fidelity and memory efficiency across a variety of stylized images frequently seen in graphics workflows, especially for those showing non-uniformly distributed features and in low-bitrate regimes. Moreover, it supports hardware-friendly rapid random access for real-time usage, requiring only 0.3K MACs to decode a pixel. Through error-guided progressive optimization, Image-GS naturally constructs a smooth level-of-detail hierarchy. We demonstrate its versatility with several applications, including texture compression, semantics-aware compression, and joint image compression and restoration.

  • 9 authors
·
Jul 1, 2024

LangScene-X: Reconstruct Generalizable 3D Language-Embedded Scenes with TriMap Video Diffusion

Recovering 3D structures with open-vocabulary scene understanding from 2D images is a fundamental but daunting task. Recent developments have achieved this by performing per-scene optimization with embedded language information. However, they heavily rely on the calibrated dense-view reconstruction paradigm, thereby suffering from severe rendering artifacts and implausible semantic synthesis when limited views are available. In this paper, we introduce a novel generative framework, coined LangScene-X, to unify and generate 3D consistent multi-modality information for reconstruction and understanding. Powered by the generative capability of creating more consistent novel observations, we can build generalizable 3D language-embedded scenes from only sparse views. Specifically, we first train a TriMap video diffusion model that can generate appearance (RGBs), geometry (normals), and semantics (segmentation maps) from sparse inputs through progressive knowledge integration. Furthermore, we propose a Language Quantized Compressor (LQC), trained on large-scale image datasets, to efficiently encode language embeddings, enabling cross-scene generalization without per-scene retraining. Finally, we reconstruct the language surface fields by aligning language information onto the surface of 3D scenes, enabling open-ended language queries. Extensive experiments on real-world data demonstrate the superiority of our LangScene-X over state-of-the-art methods in terms of quality and generalizability. Project Page: https://liuff19.github.io/LangScene-X.

Perception Tokens Enhance Visual Reasoning in Multimodal Language Models

Multimodal language models (MLMs) still face challenges in fundamental visual perception tasks where specialized models excel. Tasks requiring reasoning about 3D structures benefit from depth estimation, and reasoning about 2D object instances benefits from object detection. Yet, MLMs can not produce intermediate depth or boxes to reason over. Finetuning MLMs on relevant data doesn't generalize well and outsourcing computation to specialized vision tools is too compute-intensive and memory-inefficient. To address this, we introduce Perception Tokens, intrinsic image representations designed to assist reasoning tasks where language is insufficient. Perception tokens act as auxiliary reasoning tokens, akin to chain-of-thought prompts in language models. For example, in a depth-related task, an MLM augmented with perception tokens can reason by generating a depth map as tokens, enabling it to solve the problem effectively. We propose AURORA, a training method that augments MLMs with perception tokens for improved reasoning over visual inputs. AURORA leverages a VQVAE to transform intermediate image representations, such as depth maps into a tokenized format and bounding box tokens, which is then used in a multi-task training framework. AURORA achieves notable improvements across counting benchmarks: +10.8% on BLINK, +11.3% on CVBench, and +8.3% on SEED-Bench, outperforming finetuning approaches in generalization across datasets. It also improves on relative depth: over +6% on BLINK. With perception tokens, AURORA expands the scope of MLMs beyond language-based reasoning, paving the way for more effective visual reasoning capabilities.

  • 7 authors
·
Dec 4, 2024 2

SparseSSP: 3D Subcellular Structure Prediction from Sparse-View Transmitted Light Images

Traditional fluorescence staining is phototoxic to live cells, slow, and expensive; thus, the subcellular structure prediction (SSP) from transmitted light (TL) images is emerging as a label-free, faster, low-cost alternative. However, existing approaches utilize 3D networks for one-to-one voxel level dense prediction, which necessitates a frequent and time-consuming Z-axis imaging process. Moreover, 3D convolutions inevitably lead to significant computation and GPU memory overhead. Therefore, we propose an efficient framework, SparseSSP, predicting fluorescent intensities within the target voxel grid in an efficient paradigm instead of relying entirely on 3D topologies. In particular, SparseSSP makes two pivotal improvements to prior works. First, SparseSSP introduces a one-to-many voxel mapping paradigm, which permits the sparse TL slices to reconstruct the subcellular structure. Secondly, we propose a hybrid dimensions topology, which folds the Z-axis information into channel features, enabling the 2D network layers to tackle SSP under low computational cost. We conduct extensive experiments to validate the effectiveness and advantages of SparseSSP on diverse sparse imaging ratios, and our approach achieves a leading performance compared to pure 3D topologies. SparseSSP reduces imaging frequencies compared to previous dense-view SSP (i.e., the number of imaging is reduced up to 87.5% at most), which is significant in visualizing rapid biological dynamics on low-cost devices and samples.

  • 6 authors
·
Jul 2, 2024

Stable Part Diffusion 4D: Multi-View RGB and Kinematic Parts Video Generation

We present Stable Part Diffusion 4D (SP4D), a framework for generating paired RGB and kinematic part videos from monocular inputs. Unlike conventional part segmentation methods that rely on appearance-based semantic cues, SP4D learns to produce kinematic parts - structural components aligned with object articulation and consistent across views and time. SP4D adopts a dual-branch diffusion model that jointly synthesizes RGB frames and corresponding part segmentation maps. To simplify the architecture and flexibly enable different part counts, we introduce a spatial color encoding scheme that maps part masks to continuous RGB-like images. This encoding allows the segmentation branch to share the latent VAE from the RGB branch, while enabling part segmentation to be recovered via straightforward post-processing. A Bidirectional Diffusion Fusion (BiDiFuse) module enhances cross-branch consistency, supported by a contrastive part consistency loss to promote spatial and temporal alignment of part predictions. We demonstrate that the generated 2D part maps can be lifted to 3D to derive skeletal structures and harmonic skinning weights with few manual adjustments. To train and evaluate SP4D, we construct KinematicParts20K, a curated dataset of over 20K rigged objects selected and processed from Objaverse XL (Deitke et al., 2023), each paired with multi-view RGB and part video sequences. Experiments show that SP4D generalizes strongly to diverse scenarios, including real-world videos, novel generated objects, and rare articulated poses, producing kinematic-aware outputs suitable for downstream animation and motion-related tasks.

  • 5 authors
·
Sep 12 2

VISTA3D: A Unified Segmentation Foundation Model For 3D Medical Imaging

Foundation models for interactive segmentation in 2D natural images and videos have sparked significant interest in building 3D foundation models for medical imaging. However, the domain gaps and clinical use cases for 3D medical imaging require a dedicated model that diverges from existing 2D solutions. Specifically, such foundation models should support a full workflow that can actually reduce human effort. Treating 3D medical images as sequences of 2D slices and reusing interactive 2D foundation models seems straightforward, but 2D annotation is too time-consuming for 3D tasks. Moreover, for large cohort analysis, it's the highly accurate automatic segmentation models that reduce the most human effort. However, these models lack support for interactive corrections and lack zero-shot ability for novel structures, which is a key feature of "foundation". While reusing pre-trained 2D backbones in 3D enhances zero-shot potential, their performance on complex 3D structures still lags behind leading 3D models. To address these issues, we present VISTA3D, Versatile Imaging SegmenTation and Annotation model, that targets to solve all these challenges and requirements with one unified foundation model. VISTA3D is built on top of the well-established 3D segmentation pipeline, and it is the first model to achieve state-of-the-art performance in both 3D automatic (supporting 127 classes) and 3D interactive segmentation, even when compared with top 3D expert models on large and diverse benchmarks. Additionally, VISTA3D's 3D interactive design allows efficient human correction, and a novel 3D supervoxel method that distills 2D pretrained backbones grants VISTA3D top 3D zero-shot performance. We believe the model, recipe, and insights represent a promising step towards a clinically useful 3D foundation model. Code and weights are publicly available at https://github.com/Project-MONAI/VISTA.

  • 14 authors
·
Jun 7, 2024

PanoHead: Geometry-Aware 3D Full-Head Synthesis in 360$^{\circ}$

Synthesis and reconstruction of 3D human head has gained increasing interests in computer vision and computer graphics recently. Existing state-of-the-art 3D generative adversarial networks (GANs) for 3D human head synthesis are either limited to near-frontal views or hard to preserve 3D consistency in large view angles. We propose PanoHead, the first 3D-aware generative model that enables high-quality view-consistent image synthesis of full heads in 360^circ with diverse appearance and detailed geometry using only in-the-wild unstructured images for training. At its core, we lift up the representation power of recent 3D GANs and bridge the data alignment gap when training from in-the-wild images with widely distributed views. Specifically, we propose a novel two-stage self-adaptive image alignment for robust 3D GAN training. We further introduce a tri-grid neural volume representation that effectively addresses front-face and back-head feature entanglement rooted in the widely-adopted tri-plane formulation. Our method instills prior knowledge of 2D image segmentation in adversarial learning of 3D neural scene structures, enabling compositable head synthesis in diverse backgrounds. Benefiting from these designs, our method significantly outperforms previous 3D GANs, generating high-quality 3D heads with accurate geometry and diverse appearances, even with long wavy and afro hairstyles, renderable from arbitrary poses. Furthermore, we show that our system can reconstruct full 3D heads from single input images for personalized realistic 3D avatars.

  • 6 authors
·
Mar 23, 2023

Fast Encoder-Based 3D from Casual Videos via Point Track Processing

This paper addresses the long-standing challenge of reconstructing 3D structures from videos with dynamic content. Current approaches to this problem were not designed to operate on casual videos recorded by standard cameras or require a long optimization time. Aiming to significantly improve the efficiency of previous approaches, we present TracksTo4D, a learning-based approach that enables inferring 3D structure and camera positions from dynamic content originating from casual videos using a single efficient feed-forward pass. To achieve this, we propose operating directly over 2D point tracks as input and designing an architecture tailored for processing 2D point tracks. Our proposed architecture is designed with two key principles in mind: (1) it takes into account the inherent symmetries present in the input point tracks data, and (2) it assumes that the movement patterns can be effectively represented using a low-rank approximation. TracksTo4D is trained in an unsupervised way on a dataset of casual videos utilizing only the 2D point tracks extracted from the videos, without any 3D supervision. Our experiments show that TracksTo4D can reconstruct a temporal point cloud and camera positions of the underlying video with accuracy comparable to state-of-the-art methods, while drastically reducing runtime by up to 95\%. We further show that TracksTo4D generalizes well to unseen videos of unseen semantic categories at inference time.

  • 3 authors
·
Apr 10, 2024 2

Rapid patient-specific neural networks for intraoperative X-ray to volume registration

The integration of artificial intelligence in image-guided interventions holds transformative potential, promising to extract 3D geometric and quantitative information from conventional 2D imaging modalities during complex procedures. Achieving this requires the rapid and precise alignment of 2D intraoperative images (e.g., X-ray) with 3D preoperative volumes (e.g., CT, MRI). However, current 2D/3D registration methods fail across the broad spectrum of procedures dependent on X-ray guidance: traditional optimization techniques require custom parameter tuning for each subject, whereas neural networks trained on small datasets do not generalize to new patients or require labor-intensive manual annotations, increasing clinical burden and precluding application to new anatomical targets. To address these challenges, we present xvr, a fully automated framework for training patient-specific neural networks for 2D/3D registration. xvr uses physics-based simulation to generate abundant high-quality training data from a patient's own preoperative volumetric imaging, thereby overcoming the inherently limited ability of supervised models to generalize to new patients and procedures. Furthermore, xvr requires only 5 minutes of training per patient, making it suitable for emergency interventions as well as planned procedures. We perform the largest evaluation of a 2D/3D registration algorithm on real X-ray data to date and find that xvr robustly generalizes across a diverse dataset comprising multiple anatomical structures, imaging modalities, and hospitals. Across surgical tasks, xvr achieves submillimeter-accurate registration at intraoperative speeds, improving upon existing methods by an order of magnitude. xvr is released as open-source software freely available at https://github.com/eigenvivek/xvr.

  • 8 authors
·
Mar 20

OpenM3D: Open Vocabulary Multi-view Indoor 3D Object Detection without Human Annotations

Open-vocabulary (OV) 3D object detection is an emerging field, yet its exploration through image-based methods remains limited compared to 3D point cloud-based methods. We introduce OpenM3D, a novel open-vocabulary multi-view indoor 3D object detector trained without human annotations. In particular, OpenM3D is a single-stage detector adapting the 2D-induced voxel features from the ImGeoNet model. To support OV, it is jointly trained with a class-agnostic 3D localization loss requiring high-quality 3D pseudo boxes and a voxel-semantic alignment loss requiring diverse pre-trained CLIP features. We follow the training setting of OV-3DET where posed RGB-D images are given but no human annotations of 3D boxes or classes are available. We propose a 3D Pseudo Box Generation method using a graph embedding technique that combines 2D segments into coherent 3D structures. Our pseudo-boxes achieve higher precision and recall than other methods, including the method proposed in OV-3DET. We further sample diverse CLIP features from 2D segments associated with each coherent 3D structure to align with the corresponding voxel feature. The key to training a highly accurate single-stage detector requires both losses to be learned toward high-quality targets. At inference, OpenM3D, a highly efficient detector, requires only multi-view images for input and demonstrates superior accuracy and speed (0.3 sec. per scene) on ScanNet200 and ARKitScenes indoor benchmarks compared to existing methods. We outperform a strong two-stage method that leverages our class-agnostic detector with a ViT CLIP-based OV classifier and a baseline incorporating multi-view depth estimator on both accuracy and speed.

  • 9 authors
·
Aug 27

DiffSpectra: Molecular Structure Elucidation from Spectra using Diffusion Models

Molecular structure elucidation from spectra is a foundational problem in chemistry, with profound implications for compound identification, synthesis, and drug development. Traditional methods rely heavily on expert interpretation and lack scalability. Pioneering machine learning methods have introduced retrieval-based strategies, but their reliance on finite libraries limits generalization to novel molecules. Generative models offer a promising alternative, yet most adopt autoregressive SMILES-based architectures that overlook 3D geometry and struggle to integrate diverse spectral modalities. In this work, we present DiffSpectra, a generative framework that directly infers both 2D and 3D molecular structures from multi-modal spectral data using diffusion models. DiffSpectra formulates structure elucidation as a conditional generation process. Its denoising network is parameterized by Diffusion Molecule Transformer, an SE(3)-equivariant architecture that integrates topological and geometric information. Conditioning is provided by SpecFormer, a transformer-based spectral encoder that captures intra- and inter-spectral dependencies from multi-modal spectra. Extensive experiments demonstrate that DiffSpectra achieves high accuracy in structure elucidation, recovering exact structures with 16.01% top-1 accuracy and 96.86% top-20 accuracy through sampling. The model benefits significantly from 3D geometric modeling, SpecFormer pre-training, and multi-modal conditioning. These results highlight the effectiveness of spectrum-conditioned diffusion modeling in addressing the challenge of molecular structure elucidation. To our knowledge, DiffSpectra is the first framework to unify multi-modal spectral reasoning and joint 2D/3D generative modeling for de novo molecular structure elucidation.

Interactive segmentation of medical images through fully convolutional neural networks

Image segmentation plays an essential role in medicine for both diagnostic and interventional tasks. Segmentation approaches are either manual, semi-automated or fully-automated. Manual segmentation offers full control over the quality of the results, but is tedious, time consuming and prone to operator bias. Fully automated methods require no human effort, but often deliver sub-optimal results without providing users with the means to make corrections. Semi-automated approaches keep users in control of the results by providing means for interaction, but the main challenge is to offer a good trade-off between precision and required interaction. In this paper we present a deep learning (DL) based semi-automated segmentation approach that aims to be a "smart" interactive tool for region of interest delineation in medical images. We demonstrate its use for segmenting multiple organs on computed tomography (CT) of the abdomen. Our approach solves some of the most pressing clinical challenges: (i) it requires only one to a few user clicks to deliver excellent 2D segmentations in a fast and reliable fashion; (ii) it can generalize to previously unseen structures and "corner cases"; (iii) it delivers results that can be corrected quickly in a smart and intuitive way up to an arbitrary degree of precision chosen by the user and (iv) ensures high accuracy. We present our approach and compare it to other techniques and previous work to show the advantages brought by our method.

  • 10 authors
·
Mar 19, 2019

Lotus-2: Advancing Geometric Dense Prediction with Powerful Image Generative Model

Recovering pixel-wise geometric properties from a single image is fundamentally ill-posed due to appearance ambiguity and non-injective mappings between 2D observations and 3D structures. While discriminative regression models achieve strong performance through large-scale supervision, their success is bounded by the scale, quality and diversity of available data and limited physical reasoning. Recent diffusion models exhibit powerful world priors that encode geometry and semantics learned from massive image-text data, yet directly reusing their stochastic generative formulation is suboptimal for deterministic geometric inference: the former is optimized for diverse and high-fidelity image generation, whereas the latter requires stable and accurate predictions. In this work, we propose Lotus-2, a two-stage deterministic framework for stable, accurate and fine-grained geometric dense prediction, aiming to provide an optimal adaption protocol to fully exploit the pre-trained generative priors. Specifically, in the first stage, the core predictor employs a single-step deterministic formulation with a clean-data objective and a lightweight local continuity module (LCM) to generate globally coherent structures without grid artifacts. In the second stage, the detail sharpener performs a constrained multi-step rectified-flow refinement within the manifold defined by the core predictor, enhancing fine-grained geometry through noise-free deterministic flow matching. Using only 59K training samples, less than 1% of existing large-scale datasets, Lotus-2 establishes new state-of-the-art results in monocular depth estimation and highly competitive surface normal prediction. These results demonstrate that diffusion models can serve as deterministic world priors, enabling high-quality geometric reasoning beyond traditional discriminative and generative paradigms.

  • 4 authors
·
Nov 30 2

Gaussian2Scene: 3D Scene Representation Learning via Self-supervised Learning with 3D Gaussian Splatting

Self-supervised learning (SSL) for point cloud pre-training has become a cornerstone for many 3D vision tasks, enabling effective learning from large-scale unannotated data. At the scene level, existing SSL methods often incorporate volume rendering into the pre-training framework, using RGB-D images as reconstruction signals to facilitate cross-modal learning. This strategy promotes alignment between 2D and 3D modalities and enables the model to benefit from rich visual cues in the RGB-D inputs. However, these approaches are limited by their reliance on implicit scene representations and high memory demands. Furthermore, since their reconstruction objectives are applied only in 2D space, they often fail to capture underlying 3D geometric structures. To address these challenges, we propose Gaussian2Scene, a novel scene-level SSL framework that leverages the efficiency and explicit nature of 3D Gaussian Splatting (3DGS) for pre-training. The use of 3DGS not only alleviates the computational burden associated with volume rendering but also supports direct 3D scene reconstruction, thereby enhancing the geometric understanding of the backbone network. Our approach follows a progressive two-stage training strategy. In the first stage, a dual-branch masked autoencoder learns both 2D and 3D scene representations. In the second stage, we initialize training with reconstructed point clouds and further supervise learning using the geometric locations of Gaussian primitives and rendered RGB images. This process reinforces both geometric and cross-modal learning. We demonstrate the effectiveness of Gaussian2Scene across several downstream 3D object detection tasks, showing consistent improvements over existing pre-training methods.

  • 4 authors
·
Jun 10

IGGT: Instance-Grounded Geometry Transformer for Semantic 3D Reconstruction

Humans naturally perceive the geometric structure and semantic content of a 3D world as intertwined dimensions, enabling coherent and accurate understanding of complex scenes. However, most prior approaches prioritize training large geometry models for low-level 3D reconstruction and treat high-level spatial understanding in isolation, overlooking the crucial interplay between these two fundamental aspects of 3D-scene analysis, thereby limiting generalization and leading to poor performance in downstream 3D understanding tasks. Recent attempts have mitigated this issue by simply aligning 3D models with specific language models, thus restricting perception to the aligned model's capacity and limiting adaptability to downstream tasks. In this paper, we propose InstanceGrounded Geometry Transformer (IGGT), an end-to-end large unified transformer to unify the knowledge for both spatial reconstruction and instance-level contextual understanding. Specifically, we design a 3D-Consistent Contrastive Learning strategy that guides IGGT to encode a unified representation with geometric structures and instance-grounded clustering through only 2D visual inputs. This representation supports consistent lifting of 2D visual inputs into a coherent 3D scene with explicitly distinct object instances. To facilitate this task, we further construct InsScene-15K, a large-scale dataset with high-quality RGB images, poses, depth maps, and 3D-consistent instance-level mask annotations with a novel data curation pipeline.

Joint Self-Supervised Image-Volume Representation Learning with Intra-Inter Contrastive Clustering

Collecting large-scale medical datasets with fully annotated samples for training of deep networks is prohibitively expensive, especially for 3D volume data. Recent breakthroughs in self-supervised learning (SSL) offer the ability to overcome the lack of labeled training samples by learning feature representations from unlabeled data. However, most current SSL techniques in the medical field have been designed for either 2D images or 3D volumes. In practice, this restricts the capability to fully leverage unlabeled data from numerous sources, which may include both 2D and 3D data. Additionally, the use of these pre-trained networks is constrained to downstream tasks with compatible data dimensions. In this paper, we propose a novel framework for unsupervised joint learning on 2D and 3D data modalities. Given a set of 2D images or 2D slices extracted from 3D volumes, we construct an SSL task based on a 2D contrastive clustering problem for distinct classes. The 3D volumes are exploited by computing vectored embedding at each slice and then assembling a holistic feature through deformable self-attention mechanisms in Transformer, allowing incorporating long-range dependencies between slices inside 3D volumes. These holistic features are further utilized to define a novel 3D clustering agreement-based SSL task and masking embedding prediction inspired by pre-trained language models. Experiments on downstream tasks, such as 3D brain segmentation, lung nodule detection, 3D heart structures segmentation, and abnormal chest X-ray detection, demonstrate the effectiveness of our joint 2D and 3D SSL approach. We improve plain 2D Deep-ClusterV2 and SwAV by a significant margin and also surpass various modern 2D and 3D SSL approaches.

  • 10 authors
·
Dec 4, 2022

Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Survey

The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and biology. This approach leverages the rich, multifaceted descriptions of biomolecules contained within textual data sources to enhance our fundamental understanding and enable downstream computational tasks such as biomolecule property prediction. The fusion of the nuanced narratives expressed through natural language with the structural and functional specifics of biomolecules described via various molecular modeling techniques opens new avenues for comprehensively representing and analyzing biomolecules. By incorporating the contextual language data that surrounds biomolecules into their modeling, BL aims to capture a holistic view encompassing both the symbolic qualities conveyed through language as well as quantitative structural characteristics. In this review, we provide an extensive analysis of recent advancements achieved through cross modeling of biomolecules and natural language. (1) We begin by outlining the technical representations of biomolecules employed, including sequences, 2D graphs, and 3D structures. (2) We then examine in depth the rationale and key objectives underlying effective multi-modal integration of language and molecular data sources. (3) We subsequently survey the practical applications enabled to date in this developing research area. (4) We also compile and summarize the available resources and datasets to facilitate future work. (5) Looking ahead, we identify several promising research directions worthy of further exploration and investment to continue advancing the field. The related resources and contents are updating in https://github.com/QizhiPei/Awesome-Biomolecule-Language-Cross-Modeling.

  • 8 authors
·
Mar 3, 2024

Cross-modal feature fusion for robust point cloud registration with ambiguous geometry

Point cloud registration has seen significant advancements with the application of deep learning techniques. However, existing approaches often overlook the potential of integrating radiometric information from RGB images. This limitation reduces their effectiveness in aligning point clouds pairs, especially in regions where geometric data alone is insufficient. When used effectively, radiometric information can enhance the registration process by providing context that is missing from purely geometric data. In this paper, we propose CoFF, a novel Cross-modal Feature Fusion method that utilizes both point cloud geometry and RGB images for pairwise point cloud registration. Assuming that the co-registration between point clouds and RGB images is available, CoFF explicitly addresses the challenges where geometric information alone is unclear, such as in regions with symmetric similarity or planar structures, through a two-stage fusion of 3D point cloud features and 2D image features. It incorporates a cross-modal feature fusion module that assigns pixel-wise image features to 3D input point clouds to enhance learned 3D point features, and integrates patch-wise image features with superpoint features to improve the quality of coarse matching. This is followed by a coarse-to-fine matching module that accurately establishes correspondences using the fused features. We extensively evaluate CoFF on four common datasets: 3DMatch, 3DLoMatch, IndoorLRS, and the recently released ScanNet++ datasets. In addition, we assess CoFF on specific subset datasets containing geometrically ambiguous cases. Our experimental results demonstrate that CoFF achieves state-of-the-art registration performance across all benchmarks, including remarkable registration recalls of 95.9% and 81.6% on the widely-used 3DMatch and 3DLoMatch datasets, respectively...(Truncated to fit arXiv abstract length)

  • 6 authors
·
May 19

SUDS: Scalable Urban Dynamic Scenes

We extend neural radiance fields (NeRFs) to dynamic large-scale urban scenes. Prior work tends to reconstruct single video clips of short durations (up to 10 seconds). Two reasons are that such methods (a) tend to scale linearly with the number of moving objects and input videos because a separate model is built for each and (b) tend to require supervision via 3D bounding boxes and panoptic labels, obtained manually or via category-specific models. As a step towards truly open-world reconstructions of dynamic cities, we introduce two key innovations: (a) we factorize the scene into three separate hash table data structures to efficiently encode static, dynamic, and far-field radiance fields, and (b) we make use of unlabeled target signals consisting of RGB images, sparse LiDAR, off-the-shelf self-supervised 2D descriptors, and most importantly, 2D optical flow. Operationalizing such inputs via photometric, geometric, and feature-metric reconstruction losses enables SUDS to decompose dynamic scenes into the static background, individual objects, and their motions. When combined with our multi-branch table representation, such reconstructions can be scaled to tens of thousands of objects across 1.2 million frames from 1700 videos spanning geospatial footprints of hundreds of kilometers, (to our knowledge) the largest dynamic NeRF built to date. We present qualitative initial results on a variety of tasks enabled by our representations, including novel-view synthesis of dynamic urban scenes, unsupervised 3D instance segmentation, and unsupervised 3D cuboid detection. To compare to prior work, we also evaluate on KITTI and Virtual KITTI 2, surpassing state-of-the-art methods that rely on ground truth 3D bounding box annotations while being 10x quicker to train.

  • 4 authors
·
Mar 25, 2023

GETMusic: Generating Any Music Tracks with a Unified Representation and Diffusion Framework

Symbolic music generation aims to create musical notes, which can help users compose music, such as generating target instrumental tracks from scratch, or based on user-provided source tracks. Considering the diverse and flexible combination between source and target tracks, a unified model capable of generating any arbitrary tracks is of crucial necessity. Previous works fail to address this need due to inherent constraints in music representations and model architectures. To address this need, we propose a unified representation and diffusion framework named GETMusic (`GET' stands for GEnerate music Tracks), which includes a novel music representation named GETScore, and a diffusion model named GETDiff. GETScore represents notes as tokens and organizes them in a 2D structure, with tracks stacked vertically and progressing horizontally over time. During training, tracks are randomly selected as either the target or source. In the forward process, target tracks are corrupted by masking their tokens, while source tracks remain as ground truth. In the denoising process, GETDiff learns to predict the masked target tokens, conditioning on the source tracks. With separate tracks in GETScore and the non-autoregressive behavior of the model, GETMusic can explicitly control the generation of any target tracks from scratch or conditioning on source tracks. We conduct experiments on music generation involving six instrumental tracks, resulting in a total of 665 combinations. GETMusic provides high-quality results across diverse combinations and surpasses prior works proposed for some specific combinations.

  • 7 authors
·
May 18, 2023 2

FlowAR: Scale-wise Autoregressive Image Generation Meets Flow Matching

Autoregressive (AR) modeling has achieved remarkable success in natural language processing by enabling models to generate text with coherence and contextual understanding through next token prediction. Recently, in image generation, VAR proposes scale-wise autoregressive modeling, which extends the next token prediction to the next scale prediction, preserving the 2D structure of images. However, VAR encounters two primary challenges: (1) its complex and rigid scale design limits generalization in next scale prediction, and (2) the generator's dependence on a discrete tokenizer with the same complex scale structure restricts modularity and flexibility in updating the tokenizer. To address these limitations, we introduce FlowAR, a general next scale prediction method featuring a streamlined scale design, where each subsequent scale is simply double the previous one. This eliminates the need for VAR's intricate multi-scale residual tokenizer and enables the use of any off-the-shelf Variational AutoEncoder (VAE). Our simplified design enhances generalization in next scale prediction and facilitates the integration of Flow Matching for high-quality image synthesis. We validate the effectiveness of FlowAR on the challenging ImageNet-256 benchmark, demonstrating superior generation performance compared to previous methods. Codes will be available at https://github.com/OliverRensu/FlowAR.

  • 6 authors
·
Dec 19, 2024

2D-TPE: Two-Dimensional Positional Encoding Enhances Table Understanding for Large Language Models

Tables are ubiquitous across various domains for concisely representing structured information. Empowering large language models (LLMs) to reason over tabular data represents an actively explored direction. However, since typical LLMs only support one-dimensional~(1D) inputs, existing methods often flatten the two-dimensional~(2D) table structure into a sequence of tokens, which can severely disrupt the spatial relationships and result in an inevitable loss of vital contextual information. In this paper, we first empirically demonstrate the detrimental impact of such flattening operations on the performance of LLMs in capturing the spatial information of tables through two elaborate proxy tasks. Subsequently, we introduce a simple yet effective positional encoding method, termed ``2D-TPE'' (Two-Dimensional Table Positional Encoding), to address this challenge. 2D-TPE enables each attention head to dynamically select a permutation order of tokens within the context for attending to them, where each permutation represents a distinct traversal mode for the table, such as column-wise or row-wise traversal. 2D-TPE effectively mitigates the risk of losing essential spatial information while preserving computational efficiency, thus better preserving the table structure. Extensive experiments across five benchmarks demonstrate that 2D-TPE outperforms strong baselines, underscoring the importance of preserving the table structure for accurate table comprehension. Comprehensive analysis further reveals the substantially better scalability of 2D-TPE to large tables than baselines.

  • 5 authors
·
Sep 29, 2024

Struct2D: A Perception-Guided Framework for Spatial Reasoning in Large Multimodal Models

Unlocking spatial reasoning in Large Multimodal Models (LMMs) is crucial for enabling intelligent interaction with 3D environments. While prior efforts often rely on explicit 3D inputs or specialized model architectures, we ask: can LMMs reason about 3D space using only structured 2D representations derived from perception? We introduce Struct2D, a perception-guided prompting framework that combines bird's-eye-view (BEV) images with object marks and object-centric metadata, optionally incorporating egocentric keyframes when needed. Using Struct2D, we conduct an in-depth zero-shot analysis of closed-source LMMs (e.g., GPT-o3) and find that they exhibit surprisingly strong spatial reasoning abilities when provided with structured 2D inputs, effectively handling tasks such as relative direction estimation and route planning. Building on these insights, we construct Struct2D-Set, a large-scale instruction tuning dataset with 200K fine-grained QA pairs across eight spatial reasoning categories, generated automatically from 3D indoor scenes. We fine-tune an open-source LMM (Qwen2.5VL) on Struct2D-Set, achieving competitive performance on multiple benchmarks, including 3D question answering, dense captioning, and object grounding. Our approach demonstrates that structured 2D inputs can effectively bridge perception and language reasoning in LMMs-without requiring explicit 3D representations as input. We will release both our code and dataset to support future research.

  • 7 authors
·
Jun 4

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

Convolutional Neural Networks on non-uniform geometrical signals using Euclidean spectral transformation

Convolutional Neural Networks (CNN) have been successful in processing data signals that are uniformly sampled in the spatial domain (e.g., images). However, most data signals do not natively exist on a grid, and in the process of being sampled onto a uniform physical grid suffer significant aliasing error and information loss. Moreover, signals can exist in different topological structures as, for example, points, lines, surfaces and volumes. It has been challenging to analyze signals with mixed topologies (for example, point cloud with surface mesh). To this end, we develop mathematical formulations for Non-Uniform Fourier Transforms (NUFT) to directly, and optimally, sample nonuniform data signals of different topologies defined on a simplex mesh into the spectral domain with no spatial sampling error. The spectral transform is performed in the Euclidean space, which removes the translation ambiguity from works on the graph spectrum. Our representation has four distinct advantages: (1) the process causes no spatial sampling error during the initial sampling, (2) the generality of this approach provides a unified framework for using CNNs to analyze signals of mixed topologies, (3) it allows us to leverage state-of-the-art backbone CNN architectures for effective learning without having to design a particular architecture for a particular data structure in an ad-hoc fashion, and (4) the representation allows weighted meshes where each element has a different weight (i.e., texture) indicating local properties. We achieve results on par with the state-of-the-art for the 3D shape retrieval task, and a new state-of-the-art for the point cloud to surface reconstruction task.

  • 5 authors
·
Jan 7, 2019

UVGS: Reimagining Unstructured 3D Gaussian Splatting using UV Mapping

3D Gaussian Splatting (3DGS) has demonstrated superior quality in modeling 3D objects and scenes. However, generating 3DGS remains challenging due to their discrete, unstructured, and permutation-invariant nature. In this work, we present a simple yet effective method to overcome these challenges. We utilize spherical mapping to transform 3DGS into a structured 2D representation, termed UVGS. UVGS can be viewed as multi-channel images, with feature dimensions as a concatenation of Gaussian attributes such as position, scale, color, opacity, and rotation. We further find that these heterogeneous features can be compressed into a lower-dimensional (e.g., 3-channel) shared feature space using a carefully designed multi-branch network. The compressed UVGS can be treated as typical RGB images. Remarkably, we discover that typical VAEs trained with latent diffusion models can directly generalize to this new representation without additional training. Our novel representation makes it effortless to leverage foundational 2D models, such as diffusion models, to directly model 3DGS. Additionally, one can simply increase the 2D UV resolution to accommodate more Gaussians, making UVGS a scalable solution compared to typical 3D backbones. This approach immediately unlocks various novel generation applications of 3DGS by inherently utilizing the already developed superior 2D generation capabilities. In our experiments, we demonstrate various unconditional, conditional generation, and inpainting applications of 3DGS based on diffusion models, which were previously non-trivial.

  • 7 authors
·
Feb 3

OpenECAD: An Efficient Visual Language Model for Editable 3D-CAD Design

Computer-aided design (CAD) tools are utilized in the manufacturing industry for modeling everything from cups to spacecraft. These programs are complex to use and typically require years of training and experience to master. Structured and well-constrained 2D sketches and 3D constructions are crucial components of CAD modeling. A well-executed CAD model can be seamlessly integrated into the manufacturing process, thereby enhancing production efficiency. Deep generative models of 3D shapes and 3D object reconstruction models have garnered significant research interest. However, most of these models produce discrete forms of 3D objects that are not editable. Moreover, the few models based on CAD operations often have substantial input restrictions. In this work, we fine-tuned pre-trained models to create OpenECAD models (0.55B, 0.89B, 2.4B and 3.1B), leveraging the visual, logical, coding, and general capabilities of visual language models. OpenECAD models can process images of 3D designs as input and generate highly structured 2D sketches and 3D construction commands, ensuring that the designs are editable. These outputs can be directly used with existing CAD tools' APIs to generate project files. To train our network, we created a series of OpenECAD datasets. These datasets are derived from existing public CAD datasets, adjusted and augmented to meet the specific requirements of vision language model (VLM) training. Additionally, we have introduced an approach that utilizes dependency relationships to define and generate sketches, further enriching the content and functionality of the datasets.

  • 3 authors
·
Jun 14, 2024

Instella-T2I: Pushing the Limits of 1D Discrete Latent Space Image Generation

Image tokenization plays a critical role in reducing the computational demands of modeling high-resolution images, significantly improving the efficiency of image and multimodal understanding and generation. Recent advances in 1D latent spaces have reduced the number of tokens required by eliminating the need for a 2D grid structure. In this paper, we further advance compact discrete image representation by introducing 1D binary image latents. By representing each image as a sequence of binary vectors, rather than using traditional one-hot codebook tokens, our approach preserves high-resolution details while maintaining the compactness of 1D latents. To the best of our knowledge, our text-to-image models are the first to achieve competitive performance in both diffusion and auto-regressive generation using just 128 discrete tokens for images up to 1024x1024, demonstrating up to a 32-fold reduction in token numbers compared to standard VQ-VAEs. The proposed 1D binary latent space, coupled with simple model architectures, achieves marked improvements in speed training and inference speed. Our text-to-image models allow for a global batch size of 4096 on a single GPU node with 8 AMD MI300X GPUs, and the training can be completed within 200 GPU days. Our models achieve competitive performance compared to modern image generation models without any in-house private training data or post-training refinements, offering a scalable and efficient alternative to conventional tokenization methods.

  • 10 authors
·
Jun 26

GraphShaper: Geometry-aware Alignment for Improving Transfer Learning in Text-Attributed Graphs

Graph foundation models represent a transformative paradigm for learning transferable representations across diverse graph domains. Recent methods leverage large language models to unify graph and text modalities into a shared representation space using contrastive learning. However, systematic evaluations reveal significant performance degradation at structural boundaries where distinct topological patterns converge, with accuracy losses exceeding 20 percentage points. This issue arises from a key limitation: current methods assume all graph structures can be encoded within a single Euclidean space. In reality, tree structures require hyperbolic geometry to preserve hierarchical branching, while cyclic patterns depend on spherical geometry for closure properties. At structural boundaries, nodes experience conflicting geometric constraints that uniform encoding spaces cannot resolve. This raises a crucial challenge: Can alignment frameworks be designed to respect the intrinsic geometric diversity of graph structures? We introduce GraphShaper, a geometry-aware framework that enhances graph encoding through multi-geometric specialization. Our approach employs expert networks tailored to different geometric spaces, dynamically computing fusion weights to adaptively integrate geometric properties based on local structural characteristics. This adaptive fusion preserves structural integrity before alignment with text embeddings. Extensive experiments demonstrate that GraphShaper achieves 9.47\% accuracy improvements on citation networks and 7.63\% on social networks in zero-shot settings.

  • 9 authors
·
Oct 13

Image2Struct: Benchmarking Structure Extraction for Vision-Language Models

We introduce Image2Struct, a benchmark to evaluate vision-language models (VLMs) on extracting structure from images. Our benchmark 1) captures real-world use cases, 2) is fully automatic and does not require human judgment, and 3) is based on a renewable stream of fresh data. In Image2Struct, VLMs are prompted to generate the underlying structure (e.g., LaTeX code or HTML) from an input image (e.g., webpage screenshot). The structure is then rendered to produce an output image (e.g., rendered webpage), which is compared against the input image to produce a similarity score. This round-trip evaluation allows us to quantitatively evaluate VLMs on tasks with multiple valid structures. We create a pipeline that downloads fresh data from active online communities upon execution and evaluates the VLMs without human intervention. We introduce three domains (Webpages, LaTeX, and Musical Scores) and use five image metrics (pixel similarity, cosine similarity between the Inception vectors, learned perceptual image patch similarity, structural similarity index measure, and earth mover similarity) that allow efficient and automatic comparison between pairs of images. We evaluate Image2Struct on 14 prominent VLMs and find that scores vary widely, indicating that Image2Struct can differentiate between the performances of different VLMs. Additionally, the best score varies considerably across domains (e.g., 0.402 on sheet music vs. 0.830 on LaTeX equations), indicating that Image2Struct contains tasks of varying difficulty. For transparency, we release the full results at https://crfm.stanford.edu/helm/image2struct/v1.0.1/.

  • 6 authors
·
Oct 29, 2024

pLSTM: parallelizable Linear Source Transition Mark networks

Modern recurrent architectures, such as xLSTM and Mamba, have recently challenged the Transformer in language modeling. However, their structure constrains their applicability to sequences only or requires processing multi-dimensional data structures, such as images or molecular graphs, in a pre-defined sequential order. In contrast, Multi-Dimensional RNNs (MDRNNs) are well suited for data with a higher level structure, like 2D grids, trees, and directed acyclic graphs (DAGs). In this work, we extend the notion of multi-dimensionality to linear RNNs. We introduce parallelizable Linear Source Transition Mark networks (pLSTMs) using Source, Transition, and Mark gates that act on the line graph of a general DAG. This enables parallelization in analogy to parallel associative scans and the chunkwise-recurrent form of sequential linear RNNs, but for DAGs. For regular grids (1D and 2D), like images, this scheme can be efficiently implemented using einsum operations, concatenations, and padding in logarithmic time. pLSTMs tackle the vanishing/exploding activation/gradient problem for long distances in DAGs via two distinct modes: a directed propagation mode (P-mode) and a diffusive distribution mode (D-mode). To showcase the long-range capabilities of pLSTM, we introduce arrow-pointing extrapolation as a synthetic computer vision task that contains long-distance directional information. We demonstrate that pLSTMs generalize well to larger image sizes, whereas Transformers struggle to extrapolate. On established molecular graph and computer vision benchmarks, pLSTMs also show strong performance. Code and Datasets are available at: https://github.com/ml-jku/plstm_experiments.

  • 5 authors
·
Jun 13 2

3D Dynamic Scene Graphs: Actionable Spatial Perception with Places, Objects, and Humans

We present a unified representation for actionable spatial perception: 3D Dynamic Scene Graphs. Scene graphs are directed graphs where nodes represent entities in the scene (e.g. objects, walls, rooms), and edges represent relations (e.g. inclusion, adjacency) among nodes. Dynamic scene graphs (DSGs) extend this notion to represent dynamic scenes with moving agents (e.g. humans, robots), and to include actionable information that supports planning and decision-making (e.g. spatio-temporal relations, topology at different levels of abstraction). Our second contribution is to provide the first fully automatic Spatial PerceptIon eNgine(SPIN) to build a DSG from visual-inertial data. We integrate state-of-the-art techniques for object and human detection and pose estimation, and we describe how to robustly infer object, robot, and human nodes in crowded scenes. To the best of our knowledge, this is the first paper that reconciles visual-inertial SLAM and dense human mesh tracking. Moreover, we provide algorithms to obtain hierarchical representations of indoor environments (e.g. places, structures, rooms) and their relations. Our third contribution is to demonstrate the proposed spatial perception engine in a photo-realistic Unity-based simulator, where we assess its robustness and expressiveness. Finally, we discuss the implications of our proposal on modern robotics applications. 3D Dynamic Scene Graphs can have a profound impact on planning and decision-making, human-robot interaction, long-term autonomy, and scene prediction. A video abstract is available at https://youtu.be/SWbofjhyPzI

  • 5 authors
·
Feb 14, 2020 1

Ghost on the Shell: An Expressive Representation of General 3D Shapes

The creation of photorealistic virtual worlds requires the accurate modeling of 3D surface geometry for a wide range of objects. For this, meshes are appealing since they 1) enable fast physics-based rendering with realistic material and lighting, 2) support physical simulation, and 3) are memory-efficient for modern graphics pipelines. Recent work on reconstructing and statistically modeling 3D shape, however, has critiqued meshes as being topologically inflexible. To capture a wide range of object shapes, any 3D representation must be able to model solid, watertight, shapes as well as thin, open, surfaces. Recent work has focused on the former, and methods for reconstructing open surfaces do not support fast reconstruction with material and lighting or unconditional generative modelling. Inspired by the observation that open surfaces can be seen as islands floating on watertight surfaces, we parameterize open surfaces by defining a manifold signed distance field on watertight templates. With this parameterization, we further develop a grid-based and differentiable representation that parameterizes both watertight and non-watertight meshes of arbitrary topology. Our new representation, called Ghost-on-the-Shell (G-Shell), enables two important applications: differentiable rasterization-based reconstruction from multiview images and generative modelling of non-watertight meshes. We empirically demonstrate that G-Shell achieves state-of-the-art performance on non-watertight mesh reconstruction and generation tasks, while also performing effectively for watertight meshes.

  • 7 authors
·
Oct 23, 2023

d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations

Structural analyses are an integral part of computational research on nucleation and supercooled water, whose accuracy and efficiency can impact the validity and feasibility of such studies. The underlying molecular mechanisms of these often elusive and computationally expensive processes can be inferred from the evolution of ice-like structures, determined using appropriate structural analysis techniques. We present d-SEAMS, a free and open-source post-processing engine for the analysis of molecular dynamics trajectories, which is specifically able to qualitatively classify ice structures, in both strong confinement and bulk systems. For the first time, recent algorithms for confined ice structure determination have been implemented, along with topological network criteria for bulk ice structure determination. Recognizing the need for customization in structural analysis, d-SEAMS has a unique code architecture, built with `nix`, employing a `YAML`-`Lua` scripting pipeline. The software has been designed to be user-friendly and easy to extend. The engine outputs are compatible with popular graphics software suites, allowing for immediate visual insights into the systems studied. We demonstrate the features of d-SEAMS by using it to analyze nucleation in the bulk regime and for quasi-one and quasi-two-dimensional systems. Structural time evolution and quantitative metrics are determined for heterogenous ice nucleation on a silver-exposed beta-AgI surface, homogenous ice nucleation, flat monolayer square ice formation and freezing of an ice nanotube.

  • 3 authors
·
Sep 21, 2019

LATTICE: Democratize High-Fidelity 3D Generation at Scale

We present LATTICE, a new framework for high-fidelity 3D asset generation that bridges the quality and scalability gap between 3D and 2D generative models. While 2D image synthesis benefits from fixed spatial grids and well-established transformer architectures, 3D generation remains fundamentally more challenging due to the need to predict both spatial structure and detailed geometric surfaces from scratch. These challenges are exacerbated by the computational complexity of existing 3D representations and the lack of structured and scalable 3D asset encoding schemes. To address this, we propose VoxSet, a semi-structured representation that compresses 3D assets into a compact set of latent vectors anchored to a coarse voxel grid, enabling efficient and position-aware generation. VoxSet retains the simplicity and compression advantages of prior VecSet methods while introducing explicit structure into the latent space, allowing positional embeddings to guide generation and enabling strong token-level test-time scaling. Built upon this representation, LATTICE adopts a two-stage pipeline: first generating a sparse voxelized geometry anchor, then producing detailed geometry using a rectified flow transformer. Our method is simple at its core, but supports arbitrary resolution decoding, low-cost training, and flexible inference schemes, achieving state-of-the-art performance on various aspects, and offering a significant step toward scalable, high-quality 3D asset creation.

  • 8 authors
·
Nov 23 2

HiBench: Benchmarking LLMs Capability on Hierarchical Structure Reasoning

Structure reasoning is a fundamental capability of large language models (LLMs), enabling them to reason about structured commonsense and answer multi-hop questions. However, existing benchmarks for structure reasoning mainly focus on horizontal and coordinate structures (e.g. graphs), overlooking the hierarchical relationships within them. Hierarchical structure reasoning is crucial for human cognition, particularly in memory organization and problem-solving. It also plays a key role in various real-world tasks, such as information extraction and decision-making. To address this gap, we propose HiBench, the first framework spanning from initial structure generation to final proficiency assessment, designed to benchmark the hierarchical reasoning capabilities of LLMs systematically. HiBench encompasses six representative scenarios, covering both fundamental and practical aspects, and consists of 30 tasks with varying hierarchical complexity, totaling 39,519 queries. To evaluate LLMs comprehensively, we develop five capability dimensions that depict different facets of hierarchical structure understanding. Through extensive evaluation of 20 LLMs from 10 model families, we reveal key insights into their capabilities and limitations: 1) existing LLMs show proficiency in basic hierarchical reasoning tasks; 2) they still struggle with more complex structures and implicit hierarchical representations, especially in structural modification and textual reasoning. Based on these findings, we create a small yet well-designed instruction dataset, which enhances LLMs' performance on HiBench by an average of 88.84\% (Llama-3.1-8B) and 31.38\% (Qwen2.5-7B) across all tasks. The HiBench dataset and toolkit are available here, https://github.com/jzzzzh/HiBench, to encourage evaluation.

Structural Multiplane Image: Bridging Neural View Synthesis and 3D Reconstruction

The Multiplane Image (MPI), containing a set of fronto-parallel RGBA layers, is an effective and efficient representation for view synthesis from sparse inputs. Yet, its fixed structure limits the performance, especially for surfaces imaged at oblique angles. We introduce the Structural MPI (S-MPI), where the plane structure approximates 3D scenes concisely. Conveying RGBA contexts with geometrically-faithful structures, the S-MPI directly bridges view synthesis and 3D reconstruction. It can not only overcome the critical limitations of MPI, i.e., discretization artifacts from sloped surfaces and abuse of redundant layers, and can also acquire planar 3D reconstruction. Despite the intuition and demand of applying S-MPI, great challenges are introduced, e.g., high-fidelity approximation for both RGBA layers and plane poses, multi-view consistency, non-planar regions modeling, and efficient rendering with intersected planes. Accordingly, we propose a transformer-based network based on a segmentation model. It predicts compact and expressive S-MPI layers with their corresponding masks, poses, and RGBA contexts. Non-planar regions are inclusively handled as a special case in our unified framework. Multi-view consistency is ensured by sharing global proxy embeddings, which encode plane-level features covering the complete 3D scenes with aligned coordinates. Intensive experiments show that our method outperforms both previous state-of-the-art MPI-based view synthesis methods and planar reconstruction methods.

  • 6 authors
·
Mar 10, 2023

SceneHGN: Hierarchical Graph Networks for 3D Indoor Scene Generation with Fine-Grained Geometry

3D indoor scenes are widely used in computer graphics, with applications ranging from interior design to gaming to virtual and augmented reality. They also contain rich information, including room layout, as well as furniture type, geometry, and placement. High-quality 3D indoor scenes are highly demanded while it requires expertise and is time-consuming to design high-quality 3D indoor scenes manually. Existing research only addresses partial problems: some works learn to generate room layout, and other works focus on generating detailed structure and geometry of individual furniture objects. However, these partial steps are related and should be addressed together for optimal synthesis. We propose SCENEHGN, a hierarchical graph network for 3D indoor scenes that takes into account the full hierarchy from the room level to the object level, then finally to the object part level. Therefore for the first time, our method is able to directly generate plausible 3D room content, including furniture objects with fine-grained geometry, and their layout. To address the challenge, we introduce functional regions as intermediate proxies between the room and object levels to make learning more manageable. To ensure plausibility, our graph-based representation incorporates both vertical edges connecting child nodes with parent nodes from different levels, and horizontal edges encoding relationships between nodes at the same level. Extensive experiments demonstrate that our method produces superior generation results, even when comparing results of partial steps with alternative methods that can only achieve these. We also demonstrate that our method is effective for various applications such as part-level room editing, room interpolation, and room generation by arbitrary room boundaries.

  • 6 authors
·
Feb 16, 2023

Category-Aware 3D Object Composition with Disentangled Texture and Shape Multi-view Diffusion

In this paper, we tackle a new task of 3D object synthesis, where a 3D model is composited with another object category to create a novel 3D model. However, most existing text/image/3D-to-3D methods struggle to effectively integrate multiple content sources, often resulting in inconsistent textures and inaccurate shapes. To overcome these challenges, we propose a straightforward yet powerful approach, category+3D-to-3D (C33D), for generating novel and structurally coherent 3D models. Our method begins by rendering multi-view images and normal maps from the input 3D model, then generating a novel 2D object using adaptive text-image harmony (ATIH) with the front-view image and a text description from another object category as inputs. To ensure texture consistency, we introduce texture multi-view diffusion, which refines the textures of the remaining multi-view RGB images based on the novel 2D object. For enhanced shape accuracy, we propose shape multi-view diffusion to improve the 2D shapes of both the multi-view RGB images and the normal maps, also conditioned on the novel 2D object. Finally, these outputs are used to reconstruct a complete and novel 3D model. Extensive experiments demonstrate the effectiveness of our method, yielding impressive 3D creations, such as shark(3D)-crocodile(text) in the first row of Fig. 1. A project page is available at: https://xzr52.github.io/C33D/

  • 7 authors
·
Sep 2

SAGS: Structure-Aware 3D Gaussian Splatting

Following the advent of NeRFs, 3D Gaussian Splatting (3D-GS) has paved the way to real-time neural rendering overcoming the computational burden of volumetric methods. Following the pioneering work of 3D-GS, several methods have attempted to achieve compressible and high-fidelity performance alternatives. However, by employing a geometry-agnostic optimization scheme, these methods neglect the inherent 3D structure of the scene, thereby restricting the expressivity and the quality of the representation, resulting in various floating points and artifacts. In this work, we propose a structure-aware Gaussian Splatting method (SAGS) that implicitly encodes the geometry of the scene, which reflects to state-of-the-art rendering performance and reduced storage requirements on benchmark novel-view synthesis datasets. SAGS is founded on a local-global graph representation that facilitates the learning of complex scenes and enforces meaningful point displacements that preserve the scene's geometry. Additionally, we introduce a lightweight version of SAGS, using a simple yet effective mid-point interpolation scheme, which showcases a compact representation of the scene with up to 24times size reduction without the reliance on any compression strategies. Extensive experiments across multiple benchmark datasets demonstrate the superiority of SAGS compared to state-of-the-art 3D-GS methods under both rendering quality and model size. Besides, we demonstrate that our structure-aware method can effectively mitigate floating artifacts and irregular distortions of previous methods while obtaining precise depth maps. Project page https://eververas.github.io/SAGS/.

  • 5 authors
·
Apr 29, 2024 1

How Well Does Your Tabular Generator Learn the Structure of Tabular Data?

Heterogeneous tabular data poses unique challenges in generative modelling due to its fundamentally different underlying data structure compared to homogeneous modalities, such as images and text. Although previous research has sought to adapt the successes of generative modelling in homogeneous modalities to the tabular domain, defining an effective generator for tabular data remains an open problem. One major reason is that the evaluation criteria inherited from other modalities often fail to adequately assess whether tabular generative models effectively capture or utilise the unique structural information encoded in tabular data. In this paper, we carefully examine the limitations of the prevailing evaluation framework and introduce TabStruct, a novel evaluation benchmark that positions structural fidelity as a core evaluation dimension. Specifically, TabStruct evaluates the alignment of causal structures in real and synthetic data, providing a direct measure of how effectively tabular generative models learn the structure of tabular data. Through extensive experiments using generators from eight categories on seven datasets with expert-validated causal graphical structures, we show that structural fidelity offers a task-independent, domain-agnostic evaluation dimension. Our findings highlight the importance of tabular data structure and offer practical guidance for developing more effective and robust tabular generative models. Code is available at https://github.com/SilenceX12138/TabStruct.

  • 3 authors
·
Mar 12

VisDiff: SDF-Guided Polygon Generation for Visibility Reconstruction and Recognition

The capability to learn latent representations plays a key role in the effectiveness of recent machine learning methods. An active frontier in representation learning is understanding representations for combinatorial structures which may not admit well-behaved local neighborhoods or distance functions. For example, for polygons, slightly perturbing vertex locations might lead to significant changes in their combinatorial structure and may even lead to invalid polygons. In this paper, we investigate representations to capture the underlying combinatorial structures of polygons. Specifically, we study the open problem of Visibility Reconstruction: Given a visibility graph G, construct a polygon P whose visibility graph is G. We introduce VisDiff, a novel diffusion-based approach to reconstruct a polygon from its given visibility graph G. Our method first estimates the signed distance function (SDF) of P from G. Afterwards, it extracts ordered vertex locations that have the pairwise visibility relationship given by the edges of G. Our main insight is that going through the SDF significantly improves learning for reconstruction. In order to train VisDiff, we make two main contributions: (1) We design novel loss components for computing the visibility in a differentiable manner and (2) create a carefully curated dataset. We use this dataset to benchmark our method and achieve 21% improvement in F1-Score over standard methods. We also demonstrate effective generalization to out-of-distribution polygon types and show that learning a generative model allows us to sample the set of polygons with a given visibility graph. Finally, we extend our method to the related combinatorial problem of reconstruction from a triangulation. We achieve 95% classification accuracy of triangulation edges and a 4% improvement in Chamfer distance compared to current architectures.

  • 2 authors
·
Oct 7, 2024

Fat Polygonal Partitions with Applications to Visualization and Embeddings

Let T be a rooted and weighted tree, where the weight of any node is equal to the sum of the weights of its children. The popular Treemap algorithm visualizes such a tree as a hierarchical partition of a square into rectangles, where the area of the rectangle corresponding to any node in T is equal to the weight of that node. The aspect ratio of the rectangles in such a rectangular partition necessarily depends on the weights and can become arbitrarily high. We introduce a new hierarchical partition scheme, called a polygonal partition, which uses convex polygons rather than just rectangles. We present two methods for constructing polygonal partitions, both having guarantees on the worst-case aspect ratio of the constructed polygons; in particular, both methods guarantee a bound on the aspect ratio that is independent of the weights of the nodes. We also consider rectangular partitions with slack, where the areas of the rectangles may differ slightly from the weights of the corresponding nodes. We show that this makes it possible to obtain partitions with constant aspect ratio. This result generalizes to hyper-rectangular partitions in R^d. We use these partitions with slack for embedding ultrametrics into d-dimensional Euclidean space: we give a rm polylog(Delta)-approximation algorithm for embedding n-point ultrametrics into R^d with minimum distortion, where Delta denotes the spread of the metric, i.e., the ratio between the largest and the smallest distance between two points. The previously best-known approximation ratio for this problem was polynomial in n. This is the first algorithm for embedding a non-trivial family of weighted-graph metrics into a space of constant dimension that achieves polylogarithmic approximation ratio.

  • 3 authors
·
Sep 9, 2010

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

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

Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs

Graph neural networks are emerging as promising methods for modeling molecular graphs, in which nodes and edges correspond to atoms and chemical bonds, respectively. Recent studies show that when 3D molecular geometries, such as bond lengths and angles, are available, molecular property prediction tasks can be made more accurate. However, computing of 3D molecular geometries requires quantum calculations that are computationally prohibitive. For example, accurate calculation of 3D geometries of a small molecule requires hours of computing time using density functional theory (DFT). Here, we propose to predict the ground-state 3D geometries from molecular graphs using machine learning methods. To make this feasible, we develop a benchmark, known as Molecule3D, that includes a dataset with precise ground-state geometries of approximately 4 million molecules derived from DFT. We also provide a set of software tools for data processing, splitting, training, and evaluation, etc. Specifically, we propose to assess the error and validity of predicted geometries using four metrics. We implement two baseline methods that either predict the pairwise distance between atoms or atom coordinates in 3D space. Experimental results show that, compared with generating 3D geometries with RDKit, our method can achieve comparable prediction accuracy but with much smaller computational costs. Our Molecule3D is available as a module of the MoleculeX software library (https://github.com/divelab/MoleculeX).

  • 10 authors
·
Sep 30, 2021

Mosaic-SDF for 3D Generative Models

Current diffusion or flow-based generative models for 3D shapes divide to two: distilling pre-trained 2D image diffusion models, and training directly on 3D shapes. When training a diffusion or flow models on 3D shapes a crucial design choice is the shape representation. An effective shape representation needs to adhere three design principles: it should allow an efficient conversion of large 3D datasets to the representation form; it should provide a good tradeoff of approximation power versus number of parameters; and it should have a simple tensorial form that is compatible with existing powerful neural architectures. While standard 3D shape representations such as volumetric grids and point clouds do not adhere to all these principles simultaneously, we advocate in this paper a new representation that does. We introduce Mosaic-SDF (M-SDF): a simple 3D shape representation that approximates the Signed Distance Function (SDF) of a given shape by using a set of local grids spread near the shape's boundary. The M-SDF representation is fast to compute for each shape individually making it readily parallelizable; it is parameter efficient as it only covers the space around the shape's boundary; and it has a simple matrix form, compatible with Transformer-based architectures. We demonstrate the efficacy of the M-SDF representation by using it to train a 3D generative flow model including class-conditioned generation with the 3D Warehouse dataset, and text-to-3D generation using a dataset of about 600k caption-shape pairs.

  • 5 authors
·
Dec 14, 2023 4