arXiv subjects

Han Huang

Publications and source records attributed to Han Huang.

At least 73 records · Page 4Linked to original sources

arXiv2023

Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation

Designing new molecules is essential for drug discovery and material science. Recently, deep generative models that aim to model molecule distribution have made promising progress in narrowing down the chemical research space and generating high-fidelity molecules. However, current generative models only focus on modeling either 2D bonding graphs or 3D geometries, which are two complementary descriptors for molecules. The lack of ability to jointly model both limits the improvement of generation quality and further downstream applications. In this paper, we propose a new joint 2D and 3D diffusion model (JODO) that generates complete molecules with atom types, formal charges, bond information, and 3D coordinates. To capture the correlation between molecular graphs and geometries in the diffusion process, we develop a Diffusion Graph Transformer to parameterize the data prediction model that recovers the original data from noisy data. The Diffusion Graph Transformer interacts node and edge representations based on our relational attention mechanism, while simultaneously propagating and updating scalar features and geometric vectors. Our model can also be extended for inverse molecular design targeting single or multiple quantum properties. In our comprehensive evaluation pipeline for unconditional joint generation, the results of the experiment show that JODO remarkably outperforms the baselines on the QM9 and GEOM-Drugs datasets. Furthermore, our model excels in few-step fast sampling, as well as in inverse molecule design and molecular graph generation. Our code is provided in https://github.com/GRAPH-0/JODO.

q-bio.BM↗

arXiv2023

Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel molecular graphs remain crucial and challenging goals. To accomplish these goals, we propose a novel Conditional Diffusion model based on discrete Graph Structures (CDGS) for molecular graph generation. Specifically, we construct a forward graph diffusion process on both graph structures and inherent features through stochastic differential equations (SDE) and derive discrete graph structures as the condition for reverse generative processes. We present a specialized hybrid graph noise prediction model that extracts the global context and the local node-edge dependency from intermediate graph states. We further utilize ordinary differential equation (ODE) solvers for efficient graph sampling, based on the semi-linear structure of the probability flow ODE. Experiments on diverse datasets validate the effectiveness of our framework. Particularly, the proposed method still generates high-quality molecular graphs in a limited number of steps. Our code is provided in https://github.com/GRAPH-0/CDGS.

cs.LG↗

arXiv2023

LatentAvatar: Learning Latent Expression Code for Expressive Neural Head Avatar

Existing approaches to animatable NeRF-based head avatars are either built upon face templates or use the expression coefficients of templates as the driving signal. Despite the promising progress, their performances are heavily bound by the expression power and the tracking accuracy of the templates. In this work, we present LatentAvatar, an expressive neural head avatar driven by latent expression codes. Such latent expression codes are learned in an end-to-end and self-supervised manner without templates, enabling our method to get rid of expression and tracking issues. To achieve this, we leverage a latent head NeRF to learn the person-specific latent expression codes from a monocular portrait video, and further design a Y-shaped network to learn the shared latent expression codes of different subjects for cross-identity reenactment. By optimizing the photometric reconstruction objectives in NeRF, the latent expression codes are learned to be 3D-aware while faithfully capturing the high-frequency detailed expressions. Moreover, by learning a mapping between the latent expression code learned in shared and person-specific settings, LatentAvatar is able to perform expressive reenactment between different subjects. Experimental results show that our LatentAvatar is able to capture challenging expressions and the subtle movement of teeth and even eyeballs, which outperforms previous state-of-the-art solutions in both quantitative and qualitative comparisons. Project page: https://www.liuyebin.com/latentavatar.

cs.CV↗

arXiv2023

On Dimension-dependent concentration for convex Lipschitz functions in product spaces

Let $n\geq 1$, $K>0$, and let $X=(X_1,X_2,\dots,X_n)$ be a random vector in $\mathbb{R}^n$ with independent $K$--subgaussian components. We show that for every $1$--Lipschitz convex function $f$ in $\mathbb{R}^n$ (the Lipschitzness with respect to the Euclidean metric), $$ \max\big(\mathbb{P}\big\{f(X)-{\rm Med}\,f(X)\geq t\big\},\mathbb{P}\big\{f(X)-{\rm Med}\,f(X)\leq -t\big\}\big)\leq \exp\bigg( -\frac{c\,t^2}{K^2\log\big(2+\frac{ n}{t^2/K^2}\big)}\bigg),\quad t>0, $$ where $c>0$ is a universal constant. The estimates are optimal in the sense that for every $n\geq \tilde C$ and $t>0$ there exist a product probability distribution $X$ in $\mathbb{R}^n$ with $K$--subgaussian components, and a $1$--Lipschitz convex function $f$, with $$ \mathbb{P}\big\{\big|f(X)-{\rm Med}\,f(X)\big|\geq t\big\}\geq \tilde c\,\exp\bigg( -\frac{\tilde C\,t^2}{K^2\log\big(2+\frac{n}{t^2/K^2}\big)}\bigg). $$ The obtained deviation estimates for subgaussian variables are in sharp contrast with the case of variables with bounded $\|X_i\|_{ψ_p}$--norms for $p\in[1,2)$.

math.PR↗

arXiv2023

PriSTI: A Conditional Diffusion Framework for Spatiotemporal Imputation

Spatiotemporal data mining plays an important role in air quality monitoring, crowd flow modeling, and climate forecasting. However, the originally collected spatiotemporal data in real-world scenarios is usually incomplete due to sensor failures or transmission loss. Spatiotemporal imputation aims to fill the missing values according to the observed values and the underlying spatiotemporal dependence of them. The previous dominant models impute missing values autoregressively and suffer from the problem of error accumulation. As emerging powerful generative models, the diffusion probabilistic models can be adopted to impute missing values conditioned by observations and avoid inferring missing values from inaccurate historical imputation. However, the construction and utilization of conditional information are inevitable challenges when applying diffusion models to spatiotemporal imputation. To address above issues, we propose a conditional diffusion framework for spatiotemporal imputation with enhanced prior modeling, named PriSTI. Our proposed framework provides a conditional feature extraction module first to extract the coarse yet effective spatiotemporal dependencies from conditional information as the global context prior. Then, a noise estimation module transforms random noise to realistic values, with the spatiotemporal attention weights calculated by the conditional feature, as well as the consideration of geographic relationships. PriSTI outperforms existing imputation methods in various missing patterns of different real-world spatiotemporal data, and effectively handles scenarios such as high missing rates and sensor failure. The implementation code is available at https://github.com/LMZZML/PriSTI.

cs.LG↗

arXiv2022

Differentiable Neural Architecture Search for Extremely Lightweight Image Super-Resolution

Single Image Super-Resolution (SISR) tasks have achieved significant performance with deep neural networks. However, the large number of parameters in CNN-based met-hods for SISR tasks require heavy computations. Although several efficient SISR models have been recently proposed, most are handcrafted and thus lack flexibility. In this work, we propose a novel differentiable Neural Architecture Search (NAS) approach on both the cell-level and network-level to search for lightweight SISR models. Specifically, the cell-level search space is designed based on an information distillation mechanism, focusing on the combinations of lightweight operations and aiming to build a more lightweight and accurate SR structure. The network-level search space is designed to consider the feature connections among the cells and aims to find which information flow benefits the cell most to boost the performance. Unlike the existing Reinforcement Learning (RL) or Evolutionary Algorithm (EA) based NAS methods for SISR tasks, our search pipeline is fully differentiable, and the lightweight SISR models can be efficiently searched on both the cell-level and network-level jointly on a single GPU. Experiments show that our methods can achieve state-of-the-art performance on the benchmark datasets in terms of PSNR, SSIM, and model complexity with merely 68G Multi-Adds for $\times 2$ and 18G Multi-Adds for $\times 4$ SR tasks.

eess.IV↗

arXiv2022

GraphGDP: Generative Diffusion Processes for Permutation Invariant Graph Generation

Graph generative models have broad applications in biology, chemistry and social science. However, modelling and understanding the generative process of graphs is challenging due to the discrete and high-dimensional nature of graphs, as well as permutation invariance to node orderings in underlying graph distributions. Current leading autoregressive models fail to capture the permutation invariance nature of graphs for the reliance on generation ordering and have high time complexity. Here, we propose a continuous-time generative diffusion process for permutation invariant graph generation to mitigate these issues. Specifically, we first construct a forward diffusion process defined by a stochastic differential equation (SDE), which smoothly converts graphs within the complex distribution to random graphs that follow a known edge probability. Solving the corresponding reverse-time SDE, graphs can be generated from newly sampled random graphs. To facilitate the reverse-time SDE, we newly design a position-enhanced graph score network, capturing the evolving structure and position information from perturbed graphs for permutation equivariant score estimation. Under the evaluation of comprehensive metrics, our proposed generative diffusion process achieves competitive performance in graph distribution learning. Experimental results also show that GraphGDP can generate high-quality graphs in only 24 function evaluations, much faster than previous autoregressive models.

cs.LG↗

arXiv2022

A Geometric-Relational Deep Learning Framework for BIM Object Classification

Interoperability issue is a significant problem in Building Information Modeling (BIM). Object type, as a kind of critical semantic information needed in multiple BIM applications like scan-to-BIM and code compliance checking, also suffers when exchanging BIM data or creating models using software of other domains. It can be supplemented using deep learning. Current deep learning methods mainly learn from the shape information of BIM objects for classification, leaving relational information inherent in the BIM context unused. To address this issue, we introduce a two-branch geometric-relational deep learning framework. It boosts previous geometric classification methods with relational information. We also present a BIM object dataset IFCNet++, which contains both geometric and relational information about the objects. Experiments show that our framework can be flexibly adapted to different geometric methods. And relational features do act as a bonus to general geometric learning methods, obviously improving their classification performance, thus reducing the manual labor of checking models and improving the practical value of enriched BIM models.

cs.CV↗

arXiv2022

Privileged Prior Information Distillation for Image Matting

Performance of trimap-free image matting methods is limited when trying to decouple the deterministic and undetermined regions, especially in the scenes where foregrounds are semantically ambiguous, chromaless, or high transmittance. In this paper, we propose a novel framework named Privileged Prior Information Distillation for Image Matting (PPID-IM) that can effectively transfer privileged prior environment-aware information to improve the performance of students in solving hard foregrounds. The prior information of trimap regulates only the teacher model during the training stage, while not being fed into the student network during actual inference. In order to achieve effective privileged cross-modality (i.e. trimap and RGB) information distillation, we introduce a Cross-Level Semantic Distillation (CLSD) module that reinforces the trimap-free students with more knowledgeable semantic representations and environment-aware information. We also propose an Attention-Guided Local Distillation module that efficiently transfers privileged local attributes from the trimap-based teacher to trimap-free students for the guidance of local-region optimization. Extensive experiments demonstrate the effectiveness and superiority of our PPID framework on the task of image matting. In addition, our trimap-free IndexNet-PPID surpasses the other competing state-of-the-art methods by a large margin, especially in scenarios with chromaless, weak texture, or irregular objects.

cs.CV↗

arXiv2022

UnconFuse: Avatar Reconstruction from Unconstrained Images

The report proposes an effective solution about 3D human body reconstruction from multiple unconstrained frames for ECCV 2022 WCPA Challenge: From Face, Body and Fashion to 3D Virtual avatars I (track1: Multi-View Based 3D Human Body Reconstruction). We reproduce the reconstruction method presented in MVP-Human as our baseline, and make some improvements for the particularity of this challenge. We finally achieve the score 0.93 on the official testing set, getting the 1st place on the leaderboard.

cs.CV↗

arXiv2022

Cloud Feedback on Earth's Long-term Climate Simulated by a Near-global Cloud-permitting Model

The Sun becomes brighter with time, but Earth's climate is roughly temperate for life during its long-term history; for early Earth, this is known as the Faint Young Sun Problem (FYSP). Besides the carbonate-silicate feedback, recent researches suggest that a long-term cloud feedback may partially solve the FYSP. However, the general circulation models they used cannot resolve convection and clouds explicitly. This study re-investigates the clouds using a near-global cloud-permitting model without cumulus convection parameterization. Our results confirm that a stabilizing shortwave cloud feedback does exist, and its magnitude is $\approx$6 W m$^{-2}$ or 14% of the energy required to offset a 20% fainter Sun than today, or $\approx$10 W m$^{-2}$ or 16% for a 30% fainter Sun. When insolation increases and meanwhile CO$_2$ concentration decreases, low-level clouds increase, acting to stabilize the climate by raising planetary albedo, and vice versa.

physics.ao-ph↗

arXiv2022

CrossHuman: Learning Cross-Guidance from Multi-Frame Images for Human Reconstruction

We propose CrossHuman, a novel method that learns cross-guidance from parametric human model and multi-frame RGB images to achieve high-quality 3D human reconstruction. To recover geometry details and texture even in invisible regions, we design a reconstruction pipeline combined with tracking-based methods and tracking-free methods. Given a monocular RGB sequence, we track the parametric human model in the whole sequence, the points (voxels) corresponding to the target frame are warped to reference frames by the parametric body motion. Guided by the geometry priors of the parametric body and spatially aligned features from RGB sequence, the robust implicit surface is fused. Moreover, a multi-frame transformer (MFT) and a self-supervised warp refinement module are integrated to the framework to relax the requirements of parametric body and help to deal with very loose cloth. Compared with previous works, our CrossHuman enables high-fidelity geometry details and texture in both visible and invisible regions and improves the accuracy of the human reconstruction even under estimated inaccurate parametric human models. The experiments demonstrate that our method achieves state-of-the-art (SOTA) performance.

cs.CV↗

arXiv2022

Personalized Diagnostic Tool for Thyroid Cancer Classification using Multi-view Ultrasound

Over the past decades, the incidence of thyroid cancer has been increasing globally. Accurate and early diagnosis allows timely treatment and helps to avoid over-diagnosis. Clinically, a nodule is commonly evaluated from both transverse and longitudinal views using thyroid ultrasound. However, the appearance of the thyroid gland and lesions can vary dramatically across individuals. Identifying key diagnostic information from both views requires specialized expertise. Furthermore, finding an optimal way to integrate multi-view information also relies on the experience of clinicians and adds further difficulty to accurate diagnosis. To address these, we propose a personalized diagnostic tool that can customize its decision-making process for different patients. It consists of a multi-view classification module for feature extraction and a personalized weighting allocation network that generates optimal weighting for different views. It is also equipped with a self-supervised view-aware contrastive loss to further improve the model robustness towards different patient groups. Experimental results show that the proposed framework can better utilize multi-view information and outperform the competing methods.

cs.CV↗

arXiv2022

Bridging Mean-Field Games and Normalizing Flows with Trajectory Regularization

Mean-field games (MFGs) are a modeling framework for systems with a large number of interacting agents. They have applications in economics, finance, and game theory. Normalizing flows (NFs) are a family of deep generative models that compute data likelihoods by using an invertible mapping, which is typically parameterized by using neural networks. They are useful for density modeling and data generation. While active research has been conducted on both models, few noted the relationship between the two. In this work, we unravel the connections between MFGs and NFs by contextualizing the training of an NF as solving the MFG. This is achieved by reformulating the MFG problem in terms of agent trajectories and parameterizing a discretization of the resulting MFG with flow architectures. With this connection, we explore two research directions. First, we employ expressive NF architectures to accurately solve high-dimensional MFGs, sidestepping the curse of dimensionality in traditional numerical methods. Compared with other deep learning approaches, our trajectory-based formulation encodes the continuity equation in the neural network, resulting in a better approximation of the population dynamics. Second, we regularize the training of NFs with transport costs and show the effectiveness on controlling the model's Lipschitz bound, resulting in better generalization performance. We demonstrate numerical results through comprehensive experiments on a variety of synthetic and real-life datasets.

math.OC↗

arXiv2022

NTIRE 2022 Challenge on Efficient Super-Resolution: Methods and Results

This paper reviews the NTIRE 2022 challenge on efficient single image super-resolution with focus on the proposed solutions and results. The task of the challenge was to super-resolve an input image with a magnification factor of $\times$4 based on pairs of low and corresponding high resolution images. The aim was to design a network for single image super-resolution that achieved improvement of efficiency measured according to several metrics including runtime, parameters, FLOPs, activations, and memory consumption while at least maintaining the PSNR of 29.00dB on DIV2K validation set. IMDN is set as the baseline for efficiency measurement. The challenge had 3 tracks including the main track (runtime), sub-track one (model complexity), and sub-track two (overall performance). In the main track, the practical runtime performance of the submissions was evaluated. The rank of the teams were determined directly by the absolute value of the average runtime on the validation set and test set. In sub-track one, the number of parameters and FLOPs were considered. And the individual rankings of the two metrics were summed up to determine a final ranking in this track. In sub-track two, all of the five metrics mentioned in the description of the challenge including runtime, parameter count, FLOPs, activations, and memory consumption were considered. Similar to sub-track one, the rankings of five metrics were summed up to determine a final ranking. The challenge had 303 registered participants, and 43 teams made valid submissions. They gauge the state-of-the-art in efficient single image super-resolution.

cs.CV↗

arXiv2022

Situational Perception Guided Image Matting

Most automatic matting methods try to separate the salient foreground from the background. However, the insufficient quantity and subjective bias of the current existing matting datasets make it difficult to fully explore the semantic association between object-to-object and object-to-environment in a given image. In this paper, we propose a Situational Perception Guided Image Matting (SPG-IM) method that mitigates subjective bias of matting annotations and captures sufficient situational perception information for better global saliency distilled from the visual-to-textual task. SPG-IM can better associate inter-objects and object-to-environment saliency, and compensate the subjective nature of image matting and its expensive annotation. We also introduce a textual Semantic Transformation (TST) module that can effectively transform and integrate the semantic feature stream to guide the visual representations. In addition, an Adaptive Focal Transformation (AFT) Refinement Network is proposed to adaptively switch multi-scale receptive fields and focal points to enhance both global and local details. Extensive experiments demonstrate the effectiveness of situational perception guidance from the visual-to-textual tasks on image matting, and our model outperforms the state-of-the-art methods. We also analyze the significance of different components in our model. The code will be released soon.

cs.CV↗

arXiv2022

Structured Local Radiance Fields for Human Avatar Modeling

It is extremely challenging to create an animatable clothed human avatar from RGB videos, especially for loose clothes due to the difficulties in motion modeling. To address this problem, we introduce a novel representation on the basis of recent neural scene rendering techniques. The core of our representation is a set of structured local radiance fields, which are anchored to the pre-defined nodes sampled on a statistical human body template. These local radiance fields not only leverage the flexibility of implicit representation in shape and appearance modeling, but also factorize cloth deformations into skeleton motions, node residual translations and the dynamic detail variations inside each individual radiance field. To learn our representation from RGB data and facilitate pose generalization, we propose to learn the node translations and the detail variations in a conditional generative latent space. Overall, our method enables automatic construction of animatable human avatars for various types of clothes without the need for scanning subject-specific templates, and can generate realistic images with dynamic details for novel poses. Experiment show that our method outperforms state-of-the-art methods both qualitatively and quantitatively.

cs.CV↗

arXiv2022

Semantic Distillation Guided Salient Object Detection

Most existing CNN-based salient object detection methods can identify local segmentation details like hair and animal fur, but often misinterpret the real saliency due to the lack of global contextual information caused by the subjectiveness of the SOD task and the locality of convolution layers. Moreover, due to the unrealistically expensive labeling costs, the current existing SOD datasets are insufficient to cover the real data distribution. The limitation and bias of the training data add additional difficulty to fully exploring the semantic association between object-to-object and object-to-environment in a given image. In this paper, we propose a semantic distillation guided SOD (SDG-SOD) method that produces accurate results by fusing semantically distilled knowledge from generated image captioning into the Vision-Transformer-based SOD framework. SDG-SOD can better uncover inter-objects and object-to-environment saliency and cover the gap between the subjective nature of SOD and its expensive labeling. Comprehensive experiments on five benchmark datasets demonstrate that the SDG-SOD outperforms the state-of-the-art approaches on four evaluation metrics, and largely improves the model performance on DUTS, ECSSD, DUT, HKU-IS, and PASCAL-S datasets.

cs.CV↗