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Bo Peng

Publications and source records attributed to Bo Peng.

At least 253 records · Page 14Linked to original sources
arXiv2023

TAMM: Tensor Algebra for Many-body Methods

Tensor contraction operations in computational chemistry consume significant fractions of computing time on large-scale computing platforms. The widespread use of tensor contractions between large multi-dimensional tensors in describing electronic structure theory has motivated the development of multiple tensor algebra frameworks targeting heterogeneous computing platforms. In this paper, we present Tensor Algebra for Many-body Methods (TAMM), a framework for productive and performance-portable development of scalable computational chemistry methods. The TAMM framework decouples the specification of the computation and the execution of these operations on available high-performance computing systems. With this design choice, the scientific application developers (domain scientists) can focus on the algorithmic requirements using the tensor algebra interface provided by TAMM whereas high-performance computing developers can focus on various optimizations on the underlying constructs such as efficient data distribution, optimized scheduling algorithms, efficient use of intra-node resources (e.g., GPUs). The modular structure of TAMM allows it to be extended to support different hardware architectures and incorporate new algorithmic advances. We describe the TAMM framework and our approach to sustainable development of tensor contraction-based methods in computational chemistry applications. We present case studies that highlight the ease of use as well as the performance and productivity gains compared to other implementations.

cs.DC↗
arXiv2023

High-altitude Magnetospheric Emissions from Two Pulsars

We discover three new weak pulse components in two known pulsars, one in PSR J0304+1932 and two in PSR J1518+4904. These components are emitted about half way between the main emission beam and the interpulse beam (beam from the opposite pole). They are separated from their main pulse peak by $99^{\circ}\pm{3}^{\circ}$ for J0304+1932, $123^{\circ}.6\pm{0^{\circ}.7}$ (leading) and $93^{^{\circ}}\pm 0^{\circ}.4$ (trailing) for J1518+4904, respectively. Their peak-intensity ratios to main pulses are: $\sim$ 0.06% for J0304+1932, $\sim$ 0.17% and $\sim$ 0.83% for J1518+4904. We also analyzed flux fluctuation and profile variation of the emissions for two pulsars. The results show correlations between the weak pulses and their main pulses, indicating that these emissions come from the same pole. We estimated the emission altitude of these weak pulses and derived a height of about half of the pulsar's light-cylinder radius. These pulse components are a unique sample of high-altitude emissions from pulsars, and challenge the current pulsar emission models.

astro-ph.HE↗
arXiv2023

Negative refraction of Weyl phonons at twin quartz interfaces

In nature, $α$-quartz crystals frequently form contact twins - two adjacent crystals with the same chemical structure but different crystallographic orientation, sharing a common lattice plane. As $α$-quartz crystallises in a chiral space group, such twinning can occur between enantiomorphs with the same handedness or with opposite handedness. Here, we use first-principle methods to investigate the effect of twinning and chirality on the bulk and surface phonon spectra, as well as on the topological properties of phonons in $α$-quartz. We demonstrate that, even though the dispersion appears identical for all twins along all high-symmetry lines and at all high-symmetry points in the Brillouin zone, the dispersions can be distinct at generic momenta for some twin structures. Furthermore, when the twinning occurs between different enantiomorphs, the charges of all Weyl nodal points flip, which leads to mirror symmetric isofrequency contours of the surface arcs. We show that this allows negative refraction to occur at interfaces between certain twins of $α$-quartz.

cond-mat.mtrl-sci↗
arXiv2023

DRAN: Detailed Region-Adaptive Normalization for Conditional Image Synthesis

In recent years, conditional image synthesis has attracted growing attention due to its controllability in the image generation process. Although recent works have achieved realistic results, most of them have difficulty handling fine-grained styles with subtle details. To address this problem, a novel normalization module, named Detailed Region-Adaptive Normalization~(DRAN), is proposed. It adaptively learns both fine-grained and coarse-grained style representations. Specifically, we first introduce a multi-level structure, Spatiality-aware Pyramid Pooling, to guide the model to learn coarse-to-fine features. Then, to adaptively fuse different levels of styles, we propose Dynamic Gating, making it possible to adaptively fuse different levels of styles according to different spatial regions. Finally, we collect a new makeup dataset (Makeup-Complex dataset) that contains a wide range of complex makeup styles with diverse poses and expressions. To evaluate the effectiveness and show the general use of our method, we conduct a set of experiments on makeup transfer and semantic image synthesis. Quantitative and qualitative experiments show that equipped with DRAN, simple baseline models are able to achieve promising improvements in complex style transfer and detailed texture synthesis. Both the code and the proposed dataset will be available at https://github.com/Yueming6568/DRAN-makeup.git.

cs.CV↗
arXiv2023

3D-Aware Adversarial Makeup Generation for Facial Privacy Protection

The privacy and security of face data on social media are facing unprecedented challenges as it is vulnerable to unauthorized access and identification. A common practice for solving this problem is to modify the original data so that it could be protected from being recognized by malicious face recognition (FR) systems. However, such ``adversarial examples'' obtained by existing methods usually suffer from low transferability and poor image quality, which severely limits the application of these methods in real-world scenarios. In this paper, we propose a 3D-Aware Adversarial Makeup Generation GAN (3DAM-GAN). which aims to improve the quality and transferability of synthetic makeup for identity information concealing. Specifically, a UV-based generator consisting of a novel Makeup Adjustment Module (MAM) and Makeup Transfer Module (MTM) is designed to render realistic and robust makeup with the aid of symmetric characteristics of human faces. Moreover, a makeup attack mechanism with an ensemble training strategy is proposed to boost the transferability of black-box models. Extensive experiment results on several benchmark datasets demonstrate that 3DAM-GAN could effectively protect faces against various FR models, including both publicly available state-of-the-art models and commercial face verification APIs, such as Face++, Baidu and Aliyun.

cs.CV↗
arXiv2023

Dilemma in All-optical Characterization of Single-layer NiI2 Multiferroics

Matters Arising in Nature on "Evidence for a single layer van der Waals multiferroic". The search for two dimensional multiferroic materials is an exciting yet challenging endeavor. Recently, Song reported the exciting discovery of type II multiferroic order in an antiferromagnetic (AFM) NiI2 single layer and concluded the ferroelectric (FE) polarization induced by a helical magnetic order1. Their finding was presented from all optical experimental evidence, based on the methods of second harmonic generation (SHG) and linear dichroism (LD). However, the all optical characterizations cannot serve as unanimous evidence of the FE existence, particularly in conjunction with magnetic orders in a single layer NiI2 multiferroic. We have designed and built a Magneto-Optical-Electric Joint-measurement Scanning Imaging system (MOEJSI) for identification of two-dimensional vdW multiferroic.

cond-mat.mtrl-sci↗
arXiv2023

Categorize Radio Interference using component and temporal analysis

Radio frequency interference (RFI) is a significant challenge faced by today's radio astronomers. While most past efforts were devoted to cleaning the RFI from the data, we develop a novel method for categorizing and cataloguing RFI for forensic purpose. We present a classifier that categorizes RFI into different types based on features extracted using Principal Component Analysis (PCA) and Fourier analysis. The classifier can identify narrowband non-periodic RFI above 2 sigma, narrowband periodic RFI above 3 sigma, and wideband impulsive RFI above 5 sigma with F1 scores between 0.87 and 0.91 in simulation. This classifier could be used to identify the sources of RFI as well as to clean RFI contamination (particularly in pulsar search). In the long-term analysis of the categorized RFI, we found a special type of drifting periodic RFI that is detrimental to pulsar search. We also found evidences of an increased rate of impulsive RFI when the telescope is pointing toward the cities. These results demonstrate this classifier's potential as a forensic tool for RFI environment monitoring of radio telescopes.

astro-ph.IM↗
arXiv2023

Impact of high-rank excitations on accuracy of the unitary coupled cluster downfolding formalism

In this paper, we evaluate the accuracy of the Hermitian form of the downfolding procedure utilizing the double unitary coupled cluster Ansatz (DUCC) on the H6 and H8 benchmark systems. The computational infrastructure employs the occupation-number-representation codes to construct the matrix representation of arbitrary second-quantized operators, enabling the exact representation of exponentials of various operators. The tests utilize external excitations estimated from standard single-reference coupled cluster methods (SR-CC) to demonstrate that higher-rank SR-CC external amplitudes were necessary to describe the energies in the strongly correlated regime adequately. We show that this approach can offset problems of the corresponding SR-CC theories associated with losing the variational character of corresponding energies.

quant-ph↗
arXiv2023

Parametrized Asymmetric Neutral hydrogen Disk Integrated Spectrum Characterization (PANDISC) I: Introduction to A Physically Motivated H I Model

Modelling the integrated H I spectra of galaxies has been a difficult task due to their diverse shapes, but more dynamical information is waiting to be explored in Hi line profiles. Based on simple assumptions, we construct a physically motivated model for the integrated Hi spectra: Parametrized Asymmetric Neutral hydrogen Disk Integrated Spectrum Characterization (PANDISC). The model shows great flexibility in reproducing the diverse Hi profiles. We use Monte-Carlo Markov Chain (MCMC) for fitting the model to global H I profiles, producing statistically robust quantitative results. Comparing with several samples of H I data available in the literature , we find the model-fitted results agree with catalogued velocity widths (e.g., W50) down to the lowest S/N. The model is also shown to be useful for applications like the baryonic Tully-Fisher relation (BTFR) and profile-based sample control. By comparing v_r to v_flat , we uncover how the H I width is affected by the structure of the rotation curve, following a trend consistent with the difference in the BTFR slope. We also select a sample of spectra with broad wing-like features suggestive of a population of galaxies with unusual gas dynamics. The PANDISC model bears both promise and limitations for potential use beyond H I lines. Further application on the whole ALFALFA sample will enable us to perform large scale ensemble studies of the H I properties and dynamics in nearby galaxies.

astro-ph.GA↗
arXiv2023

Exposing Fine-Grained Adversarial Vulnerability of Face Anti-Spoofing Models

Face anti-spoofing aims to discriminate the spoofing face images (e.g., printed photos) from live ones. However, adversarial examples greatly challenge its credibility, where adding some perturbation noise can easily change the predictions. Previous works conducted adversarial attack methods to evaluate the face anti-spoofing performance without any fine-grained analysis that which model architecture or auxiliary feature is vulnerable to the adversary. To handle this problem, we propose a novel framework to expose the fine-grained adversarial vulnerability of the face anti-spoofing models, which consists of a multitask module and a semantic feature augmentation (SFA) module. The multitask module can obtain different semantic features for further evaluation, but only attacking these semantic features fails to reflect the discrimination-related vulnerability. We then design the SFA module to introduce the data distribution prior for more discrimination-related gradient directions for generating adversarial examples. Comprehensive experiments show that SFA module increases the attack success rate by nearly 40$\%$ on average. We conduct this fine-grained adversarial analysis on different annotations, geometric maps, and backbone networks (e.g., Resnet network). These fine-grained adversarial examples can be used for selecting robust backbone networks and auxiliary features. They also can be used for adversarial training, which makes it practical to further improve the accuracy and robustness of the face anti-spoofing models.

cs.CV↗
arXiv2023

Collaborative Feature Learning for Fine-grained Facial Forgery Detection and Segmentation

Detecting maliciously falsified facial images and videos has attracted extensive attention from digital-forensics and computer-vision communities. An important topic in manipulation detection is the localization of the fake regions. Previous work related to forgery detection mostly focuses on the entire faces. However, recent forgery methods have developed to edit important facial components while maintaining others unchanged. This drives us to not only focus on the forgery detection but also fine-grained falsified region segmentation. In this paper, we propose a collaborative feature learning approach to simultaneously detect manipulation and segment the falsified components. With the collaborative manner, detection and segmentation can boost each other efficiently. To enable our study of forgery detection and segmentation, we build a facial forgery dataset consisting of both entire and partial face forgeries with their pixel-level manipulation ground-truth. Experiment results have justified the mutual promotion between forgery detection and manipulated region segmentation. The overall performance of the proposed approach is better than the state-of-the-art detection or segmentation approaches. The visualization results have shown that our proposed model always captures the artifacts on facial regions, which is more reasonable.

cs.CV↗
arXiv2023

High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation

Quantum chemical calculations on atomistic systems have evolved into a standard approach to study molecular matter. These calculations often involve a significant amount of manual input and expertise although most of this effort could be automated, which would alleviate the need for expertise in software and hardware accessibility. Here, we present the AutoRXN workflow, an automated workflow for exploratory high-throughput lectronic structure calculations of molecular systems, in which (i) density functional theory methods are exploited to deliver minimum and transition-state structures and corresponding energies and properties, (ii) coupled cluster calculations are then launched for optimized structures to provide more accurate energy and property estimates, and (iii) multi-reference diagnostics are evaluated to back check the coupled cluster results and subject hem to automated multi-configurational calculations for potential multi-configurational cases. All calculations are carried out in a cloud environment and support massive computational campaigns. Key features of all omponents of the AutoRXN workflow are autonomy, stability, and minimum operator interference. We highlight the AutoRXN workflow at the example of an autonomous reaction mechanism exploration of the mode of action of a homogeneous catalyst for the asymmetric reduction of ketones.

physics.chem-ph↗
arXiv2023

Exploring Parameter Redundancy in the Unitary Coupled-Cluster Ansatze for Hybrid Variational Quantum Computing

One of the commonly used chemical-inspired approaches in variational quantum computing is the unitary coupled-cluster (UCC) ansatze. Despite being a systematic way of approaching the exact limit, the number of parameters in the standard UCC ansatze exhibits unfavorable scaling with respect to the system size, hindering its practical use on near-term quantum devices. Efforts have been taken to propose some variants of UCC ansatze with better scaling. In this paper we explore the parameter redundancy in the preparation of unitary coupled-cluster singles and doubles (UCCSD) ansatze employing spin-adapted formulation, small amplitude filtration, and entropy-based orbital selection approaches. Numerical results of using our approach on some small molecules have exhibited a significant cost reduction in the number of parameters to be optimized and in the time to convergence compared with conventional UCCSD-VQE simulations. We also discuss the potential application of some machine learning techniques in further exploring the parameter redundancy, providing a possible direction for future studies.

quant-ph↗
arXiv2023

Learning Invariant Representation via Contrastive Feature Alignment for Clutter Robust SAR Target Recognition

The deep neural networks (DNNs) have freed the synthetic aperture radar automatic target recognition (SAR ATR) from expertise-based feature designing and demonstrated superiority over conventional solutions. There has been shown the unique deficiency of ground vehicle benchmarks in shapes of strong background correlation results in DNNs overfitting the clutter and being non-robust to unfamiliar surroundings. However, the gap between fixed background model training and varying background application remains underexplored. Inspired by contrastive learning, this letter proposes a solution called Contrastive Feature Alignment (CFA) aiming to learn invariant representation for robust recognition. The proposed method contributes a mixed clutter variants generation strategy and a new inference branch equipped with channel-weighted mean square error (CWMSE) loss for invariant representation learning. In specific, the generation strategy is delicately designed to better attract clutter-sensitive deviation in feature space. The CWMSE loss is further devised to better contrast this deviation and align the deep features activated by the original images and corresponding clutter variants. The proposed CFA combines both classification and CWMSE losses to train the model jointly, which allows for the progressive learning of invariant target representation. Extensive evaluations on the MSTAR dataset and six DNN models prove the effectiveness of our proposal. The results demonstrated that the CFA-trained models are capable of recognizing targets among unfamiliar surroundings that are not included in the dataset, and are robust to varying signal-to-clutter ratios.

cs.CV↗
arXiv2023

IntrinsicNGP: Intrinsic Coordinate based Hash Encoding for Human NeRF

Recently, many works have been proposed to utilize the neural radiance field for novel view synthesis of human performers. However, most of these methods require hours of training, making them difficult for practical use. To address this challenging problem, we propose IntrinsicNGP, which can train from scratch and achieve high-fidelity results in few minutes with videos of a human performer. To achieve this target, we introduce a continuous and optimizable intrinsic coordinate rather than the original explicit Euclidean coordinate in the hash encoding module of instant-NGP. With this novel intrinsic coordinate, IntrinsicNGP can aggregate inter-frame information for dynamic objects with the help of proxy geometry shapes. Moreover, the results trained with the given rough geometry shapes can be further refined with an optimizable offset field based on the intrinsic coordinate.Extensive experimental results on several datasets demonstrate the effectiveness and efficiency of IntrinsicNGP. We also illustrate our approach's ability to edit the shape of reconstructed subjects.

cs.CV↗
arXiv2023

Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems

In this manuscript, we provide an overview of the recent developments of the coupled cluster (CC) downfolding methods, where the ground-state problem of a quantum system is represented through effective/downfolded Hamiltonians defined using active spaces. All CC downfolding techniques discussed here are derived from a single-reference exponential ansatz for the ground-state problem. We discuss several extensions of the non-Hermitian and Hermitian downfolding approaches to the time domain and the so-called quantum flows. We emphasize the important role of downfolding formalisms in transitioning chemical applications from noisy quantum devices to scalable and error-corrected quantum computers.

quant-ph↗
arXiv2023

Designing a 3D-Aware StyleNeRF Encoder for Face Editing

GAN inversion has been exploited in many face manipulation tasks, but 2D GANs often fail to generate multi-view 3D consistent images. The encoders designed for 2D GANs are not able to provide sufficient 3D information for the inversion and editing. Therefore, 3D-aware GAN inversion is proposed to increase the 3D editing capability of GANs. However, the 3D-aware GAN inversion remains under-explored. To tackle this problem, we propose a 3D-aware (3Da) encoder for GAN inversion and face editing based on the powerful StyleNeRF model. Our proposed 3Da encoder combines a parametric 3D face model with a learnable detail representation model to generate geometry, texture and view direction codes. For more flexible face manipulation, we then design a dual-branch StyleFlow module to transfer the StyleNeRF codes with disentangled geometry and texture flows. Extensive experiments demonstrate that we realize 3D consistent face manipulation in both facial attribute editing and texture transfer. Furthermore, for video editing, we make the sequence of frame codes share a common canonical manifold, which improves the temporal consistency of the edited attributes.

cs.CV↗
arXiv2023

Optical neural network architecture for deep learning with the temporal synthetic dimension

The physical concept of synthetic dimensions has recently been introduced into optics. The fundamental physics and applications are not yet fully understood, and this report explores an approach to optical neural networks using synthetic dimension in time domain, by theoretically proposing to utilize a single resonator network, where the arrival times of optical pulses are interconnected to construct a temporal synthetic dimension. The set of pulses in each roundtrip therefore provides the sites in each layer in the optical neural network, and can be linearly transformed with splitters and delay lines, including the phase modulators, when pulses circulate inside the network. Such linear transformation can be arbitrarily controlled by applied modulation phases, which serve as the building block of the neural network together with a nonlinear component for pulses. We validate the functionality of the proposed optical neural network for the deep learning purpose with examples handwritten digit recognition and optical pulse train distribution classification problems. This proof of principle computational work explores the new concept of developing a photonics-based machine learning in a single ring network using synthetic dimensions, which allows flexibility and easiness of reconfiguration with complex functionality in achieving desired optical tasks.

physics.optics↗