arXiv subjects

Jinlong Yang

Publications and source records attributed to Jinlong Yang.

At least 91 records · Page 5Linked to original sources

arXiv2022

ICON: Implicit Clothed humans Obtained from Normals

Current methods for learning realistic and animatable 3D clothed avatars need either posed 3D scans or 2D images with carefully controlled user poses. In contrast, our goal is to learn an avatar from only 2D images of people in unconstrained poses. Given a set of images, our method estimates a detailed 3D surface from each image and then combines these into an animatable avatar. Implicit functions are well suited to the first task, as they can capture details like hair and clothes. Current methods, however, are not robust to varied human poses and often produce 3D surfaces with broken or disembodied limbs, missing details, or non-human shapes. The problem is that these methods use global feature encoders that are sensitive to global pose. To address this, we propose ICON ("Implicit Clothed humans Obtained from Normals"), which, instead, uses local features. ICON has two main modules, both of which exploit the SMPL(-X) body model. First, ICON infers detailed clothed-human normals (front/back) conditioned on the SMPL(-X) normals. Second, a visibility-aware implicit surface regressor produces an iso-surface of a human occupancy field. Importantly, at inference time, a feedback loop alternates between refining the SMPL(-X) mesh using the inferred clothed normals and then refining the normals. Given multiple reconstructed frames of a subject in varied poses, we use SCANimate to produce an animatable avatar from them. Evaluation on the AGORA and CAPE datasets shows that ICON outperforms the state of the art in reconstruction, even with heavily limited training data. Additionally, it is much more robust to out-of-distribution samples, e.g., in-the-wild poses/images and out-of-frame cropping. ICON takes a step towards robust 3D clothed human reconstruction from in-the-wild images. This enables creating avatars directly from video with personalized and natural pose-dependent cloth deformation.

cs.CV↗

arXiv2022

Reducing circuit depth in adaptive variational quantum algorithms via effective Hamiltonian theories

Electronic structure simulation is an anticipated application for quantum computers. Due to high-dimensional quantum entanglement in strongly correlated systems, the quantum resources required to perform such simulations are far beyond the capacity of current quantum devices. To reduce the quantum circuit complexity, it has been suggested to incorporate a part of the electronic correlation into an effective Hamiltonian, which is often obtained from a similarity transformation of the electronic Hamiltonian. In this work, we introduce a new transformation in the form of a product of a linear combination of excitation operators to construct the effective Hamiltonian with finite terms. To demonstrate its accuracy, we also consider an equivalent adaptive variational algorithm with this transformation and show that it can obtain an accurate ground state wave function. The effective Hamiltonian defined with this new transformation is incorporated into the adaptive variational quantum algorithms to maintain constant-size quantum circuits. The new computational scheme is assessed by performing numerical simulations for small molecules. Chemical accuracy is achieved with a much shallower circuit depth.

quant-ph↗

arXiv2021

High-throughput computational screening for bipolar magnetic semiconductors

Searching ferromagnetic semiconductor materials with electrically controllable spin polarization is a long-term challenge for spintronics. Bipolar magnetic semiconductors (BMS), with valence and conduction band edges fully spin-polarized in different spin directions, show great promise in this aspect because the carrier's spin polarization direction can be easily tuned by voltage gate. Here, we propose a standard high-throughput computational screening scheme for searching BMS materials. The application of this scheme to the Materials Project database gives 11 intrinsic BMS materials (1 experimental and 10 theoretical) from nearly 40000 structures. Among them, a room temperature BMS Li2V3TeO8 (mp-771246) is discovered with a Curie temperature of 478K. Moreover, the BMS feature can be maintained well when cutting the bulk Li2V3TeO8 into (001) nanofilms for realistic applications. This work provides a feasible solution for discovering novel intrinsic BMS materials from various crystal structure databases, paving the way for realizing electric-field controlled spintronic devices.

cond-mat.mtrl-sci↗

arXiv2021

The Power of Points for Modeling Humans in Clothing

Currently it requires an artist to create 3D human avatars with realistic clothing that can move naturally. Despite progress on 3D scanning and modeling of human bodies, there is still no technology that can easily turn a static scan into an animatable avatar. Automating the creation of such avatars would enable many applications in games, social networking, animation, and AR/VR to name a few. The key problem is one of representation. Standard 3D meshes are widely used in modeling the minimally-clothed body but do not readily capture the complex topology of clothing. Recent interest has shifted to implicit surface models for this task but they are computationally heavy and lack compatibility with existing 3D tools. What is needed is a 3D representation that can capture varied topology at high resolution and that can be learned from data. We argue that this representation has been with us all along -- the point cloud. Point clouds have properties of both implicit and explicit representations that we exploit to model 3D garment geometry on a human body. We train a neural network with a novel local clothing geometric feature to represent the shape of different outfits. The network is trained from 3D point clouds of many types of clothing, on many bodies, in many poses, and learns to model pose-dependent clothing deformations. The geometry feature can be optimized to fit a previously unseen scan of a person in clothing, enabling the scan to be reposed realistically. Our model demonstrates superior quantitative and qualitative results in both multi-outfit modeling and unseen outfit animation. The code is available for research purposes.

cs.CV↗

arXiv2021

A Quantum Algorithm to Calculate Band Structure at the EOM Level of Theory

Band structure is a cornerstone to understand electronic properties of materials. Accurate band structure calculations using a high-level quantum-chemistry theory can be computationally very expensive. It is promising to speed up such calculations with a quantum computer. In this study, we present a quantum algorithm for band structure calculation based on the equation-of-motion (EOM) theory. First, we introduce a new variational quantum eigensolver algorithm named ADAPT-C for ground-state quantum simulation of solids, where the wave function is built adaptively from a complete set of anti-Hermitian operators. Then, on top of the ADAPT-C ground state, quasiparticle energies and the band structure can be calculated using the EOM theory in a quantum-subspace-expansion (QSE) style, where the projected excitation operators guarantee that the killer condition is satisfied. As a proof of principle, such an EOM-ADAPT-C protocol is used to calculate the band structures of silicon and diamond using a quantum computer simulator.

quant-ph↗

arXiv2021

Thickness Dependent Magnetic Transition in Few Layer 1T Phase CrTe2

Room temperature two-dimensional (2D) ferromagnetism is highly desired in practical spintronics applications. Recently, 1T phase CrTe2 (1T-CrTe2) nanosheets with five and thicker layers have been successfully synthesized, which all exhibit the properties of ferromagnetic (FM) metals with Curie temperatures around 305 K. However, whether the ferromagnetism therein can be maintained when continuously reducing the nanosheet's thickness to monolayer limit remains unknown. Here, through first-principles calculations, we explore the evolution of magnetic properties of 1 to 6 layers CrTe2 nanosheets and several interesting points are found: First, unexpectedly, monolayer CrTe2 prefers a zigzag antiferromagnetic (AFM) state with its energy much lower than that of FM state. Second, in 2 to 4 layers CrTe2, both the intralayer and interlayer magnetic coupling are AFM. Last, when the number of layers is equal to or greater than five, the intralayer and interlayer magnetic coupling become FM. Theoretical analysis reveals that the in-plane lattice contraction of few layer CrTe2 compared to bulk is the main factor producing intralayer AFM-FM magnetic transition. At the same time, as long as the intralayer coupling gets FM, the interlayer coupling will concomitantly switch from AFM to FM. Such highly thickness dependent magnetism provides a new perspective to control the magnetic properties of 2D materials.

cond-mat.mtrl-sci↗

arXiv2021

Two-Dimensional Bipolar Magnetic Semiconductor with High Curie Temperature and Electrically Controllable Spin Polarization Realized in Exfoliated Cr(pyrazine)$_2$ Monolayer

Exploring two-dimensional (2D) magnetic semiconductors with room temperature magnetic ordering and electrically controllable spin polarization is a highly desirable but challenging task for nanospintronics. Here, through first principles calculations, we propose to realize such a material by exfoliating the recently synthesized organometallic layered crystal Li$_{0.7}$[Cr(pyz)$_2$]Cl$_{0.7}$0.25$\cdot$(THF) (pyz = pyrazine, THF = tetrahydrofuran) [Science 370, 587 (2020)]. The feasibility of exfoliation is confirmed by the rather low exfoliation energy of 0.27 J/m$^2$, even smaller than that of graphite. In exfoliated Cr(pyz)$_2$ monolayer, each pyrazine ring grabs one electron from the Cr atom to become a radical anion, then a strong $d$-$p$ direct exchange magnetic interaction emerges between Cr cations and pyrazine radicals, resulting in room temperature ferrimagnetism with a Curie temperature of 342 K. Moreover, Cr(pyz)$_2$ monolayer is revealed to be an intrinsic bipolar magnetic semiconductor where electrical doping can induce half-metallic conduction with controllable spin-polarization direction.

cond-mat.mtrl-sci↗

arXiv2021

SCALE: Modeling Clothed Humans with a Surface Codec of Articulated Local Elements

Learning to model and reconstruct humans in clothing is challenging due to articulation, non-rigid deformation, and varying clothing types and topologies. To enable learning, the choice of representation is the key. Recent work uses neural networks to parameterize local surface elements. This approach captures locally coherent geometry and non-planar details, can deal with varying topology, and does not require registered training data. However, naively using such methods to model 3D clothed humans fails to capture fine-grained local deformations and generalizes poorly. To address this, we present three key innovations: First, we deform surface elements based on a human body model such that large-scale deformations caused by articulation are explicitly separated from topological changes and local clothing deformations. Second, we address the limitations of existing neural surface elements by regressing local geometry from local features, significantly improving the expressiveness. Third, we learn a pose embedding on a 2D parameterization space that encodes posed body geometry, improving generalization to unseen poses by reducing non-local spurious correlations. We demonstrate the efficacy of our surface representation by learning models of complex clothing from point clouds. The clothing can change topology and deviate from the topology of the body. Once learned, we can animate previously unseen motions, producing high-quality point clouds, from which we generate realistic images with neural rendering. We assess the importance of each technical contribution and show that our approach outperforms the state-of-the-art methods in terms of reconstruction accuracy and inference time. The code is available for research purposes at https://qianlim.github.io/SCALE .

cs.CV↗

arXiv2021

SCANimate: Weakly Supervised Learning of Skinned Clothed Avatar Networks

We present SCANimate, an end-to-end trainable framework that takes raw 3D scans of a clothed human and turns them into an animatable avatar. These avatars are driven by pose parameters and have realistic clothing that moves and deforms naturally. SCANimate does not rely on a customized mesh template or surface mesh registration. We observe that fitting a parametric 3D body model, like SMPL, to a clothed human scan is tractable while surface registration of the body topology to the scan is often not, because clothing can deviate significantly from the body shape. We also observe that articulated transformations are invertible, resulting in geometric cycle consistency in the posed and unposed shapes. These observations lead us to a weakly supervised learning method that aligns scans into a canonical pose by disentangling articulated deformations without template-based surface registration. Furthermore, to complete missing regions in the aligned scans while modeling pose-dependent deformations, we introduce a locally pose-aware implicit function that learns to complete and model geometry with learned pose correctives. In contrast to commonly used global pose embeddings, our local pose conditioning significantly reduces long-range spurious correlations and improves generalization to unseen poses, especially when training data is limited. Our method can be applied to pose-aware appearance modeling to generate a fully textured avatar. We demonstrate our approach on various clothing types with different amounts of training data, outperforming existing solutions and other variants in terms of fidelity and generality in every setting. The code is available at https://scanimate.is.tue.mpg.de.

cs.CV↗

arXiv2020

An efficient adaptive variational quantum solver of the Schrodinger equation based on reduced density matrices

Recently, an adaptive variational algorithm termed Adaptive Derivative-Assembled Pseudo-Trotter ansatz Variational Quantum Eigensolver (ADAPT-VQE) has been proposed by Grimsley et al. (Nat. Commun. 10, 3007) while the number of measurements required to perform this algorithm scales O(N^8). In this work, we present an efficient adaptive variational quantum solver of the Schrodinger equation based on ADAPT-VQE together with the reduced density matrix reconstruction approach, which reduces the number of measurements from O(N^8) to O(N^4). This new algorithm is quite suitable for quantum simulations of chemical systems on near-term noisy intermediate-scale hardware due to low circuit complexity and reduced measurement. Numerical benchmark calculations for small molecules demonstrate that this new algorithm provides an accurate description of the ground-state potential energy curves. In addition, we generalize this new algorithm for excited states with the variational quantum deflation approach and achieve the same accuracy as ground-state simulations.

quant-ph↗

arXiv2020

Grasping Field: Learning Implicit Representations for Human Grasps

Robotic grasping of house-hold objects has made remarkable progress in recent years. Yet, human grasps are still difficult to synthesize realistically. There are several key reasons: (1) the human hand has many degrees of freedom (more than robotic manipulators); (2) the synthesized hand should conform to the surface of the object; and (3) it should interact with the object in a semantically and physically plausible manner. To make progress in this direction, we draw inspiration from the recent progress on learning-based implicit representations for 3D object reconstruction. Specifically, we propose an expressive representation for human grasp modelling that is efficient and easy to integrate with deep neural networks. Our insight is that every point in a three-dimensional space can be characterized by the signed distances to the surface of the hand and the object, respectively. Consequently, the hand, the object, and the contact area can be represented by implicit surfaces in a common space, in which the proximity between the hand and the object can be modelled explicitly. We name this 3D to 2D mapping as Grasping Field, parameterize it with a deep neural network, and learn it from data. We demonstrate that the proposed grasping field is an effective and expressive representation for human grasp generation. Specifically, our generative model is able to synthesize high-quality human grasps, given only on a 3D object point cloud. The extensive experiments demonstrate that our generative model compares favorably with a strong baseline and approaches the level of natural human grasps. Our method improves the physical plausibility of the hand-object contact reconstruction and achieves comparable performance for 3D hand reconstruction compared to state-of-the-art methods.

cs.CV↗

arXiv2020

The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package

This work presents a dynamic parallel distribution scheme for the Hartree-Fock exchange~(HFX) calculations based on the real-space NAO2GTO framework. The most time-consuming electron repulsion integrals~(ERIs) calculation is perfectly load-balanced with 2-level master-worker dynamic parallel scheme, the density matrix and the HFX matrix are both stored in the sparse format, the network communication time is minimized via only communicating the index of the batched ERIs and the final sparse matrix form of the HFX matrix. The performance of this dynamic scalable distributed algorithm has been demonstrated by several examples of large scale hybrid density-functional calculations on Tianhe-2 supercomputers, including both molecular and solid states systems with multiple dimensions, and illustrates good scalability.

physics.comp-ph↗

arXiv2020

Efficient Parallel Linear Scaling Method to get the Response Density Matrix in All-Electron Real-Space Density-Functional Perturbation Theory

The real-space density-functional perturbation theory (DFPT) for the computations of the response properties with respect to the atomic displacement and homogeneous electric field perturbation has been recently developed and implemented into the all-electron, numeric atom-centered orbitals electronic structure package FHI-aims. It is found that the bottleneck for large scale applications is the computation of the response density matrix, which scales as $O(N^3)$. Here for the response properties with respect to the homogeneous electric field, we present an efficient parallel linear scaling algorithm for the response density matrix calculation. Our scheme is based on the second-order trace-correcting purification and the parallel sparse matrix-matrix multiplication algorithms. The new scheme reduces the formal scaling from $O(N^3)$ to $O(N)$, and shows good parallel scalability over tens of thousands of cores. As demonstrated by extensive validation, we achieve a rapid computation of accurate polarizabilities using DFPT. Finally, the computational efficiency of this scheme has been illustrated by making the scaling tests and scalability tests on massively parallel computer systems.

physics.comp-ph↗

arXiv2020

The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS package

Hybrid density-functional calculation is one of the most commonly adopted electronic structure theory used in computational chemistry and materials science because of its balance between accuracy and computational cost. Recently, we have developed a novel scheme called NAO2GTO to achieve linear scaling (Order-N) calculations for hybrid density-functionals. In our scheme, the most time-consuming step is the calculation of the electron repulsion integrals (ERIs) part. So how to create an even distribution of these ERIs in parallel implementation is an issue of particular importance. Here, we present two static scalable distributed algorithms for the ERIs computation. Firstly, the ERIs are distributed over ERIs shell pairs. Secondly, the ERIs is distributed over ERIs shell quartets. In both algorithms, the calculation of ERIs is independent of each other, so the communication time is minimized. We show our speedup results to demonstrate the performance of these static parallel distributed algorithms in the Hefei Order-N packages for \textit{ab initio} simulations (HONPAS).

physics.comp-ph↗

arXiv2020

Doping dependence of electronic structure of infinite-layer NdNiO2

We investigate the electronic structure of nickelate superconductor NdNiO2 upon hole doping, by means of density-functional theory and dynamical mean-field theory. We demonstrate the strong intrinsic hybridization between strongly correlated states formed by Ni-3dx2-y2 orbital and itinerant electrons due to Nd-5d and Ni-3dz2 orbitals, producing a valence-fluctuating correlated metal as the normal state of hole-doped NdNiO2. The Hund's rule appears to play a dominating role on multi-orbital physics in the lightly doped compound, while its effect is gradually reduced by increasing the doping level. Crucially, the hole-doping leads to intricate effects on Ni-3d orbitals, such as a non-monotonic change of electron occupation in lightly doped level, and a flipping orbital configuration in the overdoped regime. Additionaly, we also map out the topology of Fermi surface at different doping levels. These findings render a preferred window to peek into electron pairing and superconductivity.

cond-mat.str-el↗

arXiv2020

Simulating periodic systems on quantum computer

The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE algorithm for simulating extended systems. However, the numerical study of an one-dimensional (1D) infinite hydrogen chain using existing VQE algorithms shows a remarkable deviation of the ground state energy with respect to the exact full configuration interaction (FCI) result. Here, we present two schemes to improve the accuracy of quantum simulations for extended systems. The first one is a modified VQE algorithm, which introduces an unitary transformation of Hartree-Fock orbitals to avoid the complex Hamiltonian. The second one is a Post-VQE approach combining VQE with the quantum subspace expansion approach (VQE/QSE). Numerical benchmark calculations demonstrate that both of two schemes provide an accurate enough description of the potential energy curve of the 1D hydrogen chain. In addition, excited states computed with the VQE/QSE approach also agree very well with FCI results.

quant-ph↗

arXiv2020

Learning to Dress 3D People in Generative Clothing

Three-dimensional human body models are widely used in the analysis of human pose and motion. Existing models, however, are learned from minimally-clothed 3D scans and thus do not generalize to the complexity of dressed people in common images and videos. Additionally, current models lack the expressive power needed to represent the complex non-linear geometry of pose-dependent clothing shapes. To address this, we learn a generative 3D mesh model of clothed people from 3D scans with varying pose and clothing. Specifically, we train a conditional Mesh-VAE-GAN to learn the clothing deformation from the SMPL body model, making clothing an additional term in SMPL. Our model is conditioned on both pose and clothing type, giving the ability to draw samples of clothing to dress different body shapes in a variety of styles and poses. To preserve wrinkle detail, our Mesh-VAE-GAN extends patchwise discriminators to 3D meshes. Our model, named CAPE, represents global shape and fine local structure, effectively extending the SMPL body model to clothing. To our knowledge, this is the first generative model that directly dresses 3D human body meshes and generalizes to different poses. The model, code and data are available for research purposes at https://cape.is.tue.mpg.de.

cs.CV↗

arXiv2020

Extreme-Scale Density Functional Theory High Performance Computing of DGDFT for Tens of Thousands of Atoms using Millions of Cores on Sunway TaihuLight

High performance computing (HPC) is a powerful tool to accelerate the Kohn-Sham density functional theory (KS-DFT) calculations on modern heterogeneous supercomputers. Here, we describe a massively extreme-scale parallel and portable implementation of discontinuous Galerkin density functional theory (DGDFT) method on the Sunway TaihuLight supercomputer. The DGDFT method uses the adaptive local basis (ALB) functions generated on-the-fly during the self-consistent field (SCF) iteration to solve the KS equations with the high precision comparable to that of plane-wave basis set. In particular, the DGDFT method adopts a two-level parallelization strategy that makes use of different types of data distribution, task scheduling, and data communication schemes, and combines with the feature of master-slave multi-thread heterogeneous parallelism of SW26010 processor, resulting in extreme-scale HPC KS-DFT calculations on the Sunway TaihuLight supercomputer. We show that the DGDFT method can scale up to 8,519,680 processing cores (131,072 core groups) on the Sunway TaihuLight supercomputer for investigating the electronic structures of two-dimensional (2D) metallic graphene systems containing tens of thousands of carbon atoms.

physics.comp-ph↗