arXiv subjects

Lin Huang

Publications and source records attributed to Lin Huang.

At least 37 records · Page 2Linked to original sources

arXiv2025

Temperature gradient-driven motion of magnetic domains in a magnetic metal multilayer by entropic forces

We studied the displacement of magnetic domains under temperature gradients in perpendicularly magnetized Ta/[Pt/Co$_{68}$B$_{32}$/Ir]$_{\times 10}$/Pt multilayer tracks with microfabricated Pt heaters/thermometers by magnetic force microscopy (MFM). Subtracting out the effects of the Oersted field from the heating current reveals the pure temperature gradient-driven motion, which is always towards the heater. The higher the thermal gradient along the track (owing to proximity to the heater or larger heater currents), the greater the observed displacements of the domains, up to a velocity of around 1~nm/s in a temperature gradient of 20~K/$μ$m. Quantitative estimates of the strength of different driving mechanisms show that entropic forces dominate over those arising from the spin Seebeck and spin-dependent Seebeck effects.

cond-mat.mes-hall↗

arXiv2025

Team PA-VCG's Solution for Competition on Understanding Chinese College Entrance Exam Papers in ICDAR'25

This report presents Team PA-VGG's solution for the ICDAR'25 Competition on Understanding Chinese College Entrance Exam Papers. In addition to leveraging high-resolution image processing and a multi-image end-to-end input strategy to address the challenges of dense OCR extraction and complex document layouts in Gaokao papers, our approach introduces domain-specific post-training strategies. Experimental results demonstrate that our post-training approach achieves the most outstanding performance, securing first place with an accuracy rate of 89.6%.

cs.CV↗

arXiv2025

Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity

Hamiltonian matrix prediction is pivotal in computational chemistry, serving as the foundation for determining a wide range of molecular properties. While SE(3) equivariant graph neural networks have achieved remarkable success in this domain, their substantial computational cost--driven by high-order tensor product (TP) operations--restricts their scalability to large molecular systems with extensive basis sets. To address this challenge, we introduce SPHNet, an efficient and scalable equivariant network, that incorporates adaptive SParsity into Hamiltonian prediction. SPHNet employs two innovative sparse gates to selectively constrain non-critical interaction combinations, significantly reducing tensor product computations while maintaining accuracy. To optimize the sparse representation, we develop a Three-phase Sparsity Scheduler, ensuring stable convergence and achieving high performance at sparsity rates of up to 70%. Extensive evaluations on QH9 and PubchemQH datasets demonstrate that SPHNet achieves state-of-the-art accuracy while providing up to a 7x speedup over existing models. Beyond Hamiltonian prediction, the proposed sparsification techniques also hold significant potential for improving the efficiency and scalability of other SE(3) equivariant networks, further broadening their applicability and impact. Our code can be found at https://github.com/microsoft/SPHNet.

cs.LG↗

arXiv2025

Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems

Density Functional Theory (DFT) is a pivotal method within quantum chemistry and materials science, with its core involving the construction and solution of the Kohn-Sham Hamiltonian. Despite its importance, the application of DFT is frequently limited by the substantial computational resources required to construct the Kohn-Sham Hamiltonian. In response to these limitations, current research has employed deep-learning models to efficiently predict molecular and solid Hamiltonians, with roto-translational symmetries encoded in their neural networks. However, the scalability of prior models may be problematic when applied to large molecules, resulting in non-physical predictions of ground-state properties. In this study, we generate a substantially larger training set (PubChemQH) than used previously and use it to create a scalable model for DFT calculations with physical accuracy. For our model, we introduce a loss function derived from physical principles, which we call Wavefunction Alignment Loss (WALoss). WALoss involves performing a basis change on the predicted Hamiltonian to align it with the observed one; thus, the resulting differences can serve as a surrogate for orbital energy differences, allowing models to make better predictions for molecular orbitals and total energies than previously possible. WALoss also substantially accelerates self-consistent-field (SCF) DFT calculations. Here, we show it achieves a reduction in total energy prediction error by a factor of 1347 and an SCF calculation speed-up by a factor of 18%. These substantial improvements set new benchmarks for achieving accurate and applicable predictions in larger molecular systems.

physics.chem-ph↗

arXiv2024

Physical Consistency Bridges Heterogeneous Data in Molecular Multi-Task Learning

In recent years, machine learning has demonstrated impressive capability in handling molecular science tasks. To support various molecular properties at scale, machine learning models are trained in the multi-task learning paradigm. Nevertheless, data of different molecular properties are often not aligned: some quantities, e.g. equilibrium structure, demand more cost to compute than others, e.g. energy, so their data are often generated by cheaper computational methods at the cost of lower accuracy, which cannot be directly overcome through multi-task learning. Moreover, it is not straightforward to leverage abundant data of other tasks to benefit a particular task. To handle such data heterogeneity challenges, we exploit the specialty of molecular tasks that there are physical laws connecting them, and design consistency training approaches that allow different tasks to exchange information directly so as to improve one another. Particularly, we demonstrate that the more accurate energy data can improve the accuracy of structure prediction. We also find that consistency training can directly leverage force and off-equilibrium structure data to improve structure prediction, demonstrating a broad capability for integrating heterogeneous data.

cs.LG↗

arXiv2024

YOLOCS: Object Detection based on Dense Channel Compression for Feature Spatial Solidification

In this study, we examine the associations between channel features and convolutional kernels during the processes of feature purification and gradient backpropagation, with a focus on the forward and backward propagation within the network. Consequently, we propose a method called Dense Channel Compression for Feature Spatial Solidification. Drawing upon the central concept of this method, we introduce two innovative modules for backbone and head networks: the Dense Channel Compression for Feature Spatial Solidification Structure (DCFS) and the Asymmetric Multi-Level Compression Decoupled Head (ADH). When integrated into the YOLOv5 model, these two modules demonstrate exceptional performance, resulting in a modified model referred to as YOLOCS. Evaluated on the MSCOCO dataset, the large, medium, and small YOLOCS models yield AP of 50.1%, 47.6%, and 42.5%, respectively. Maintaining inference speeds remarkably similar to those of the YOLOv5 model, the large, medium, and small YOLOCS models surpass the YOLOv5 model's AP by 1.1%, 2.3%, and 5.2%, respectively.

cs.CV↗

arXiv2024

High-Performance Fine Defect Detection in Artificial Leather Using Dual Feature Pool Object Detection

In this study, the structural problems of the YOLOv5 model were analyzed emphatically. Based on the characteristics of fine defects in artificial leather, four innovative structures, namely DFP, IFF, AMP, and EOS, were designed. These advancements led to the proposal of a high-performance artificial leather fine defect detection model named YOLOD. YOLOD demonstrated outstanding performance on the artificial leather defect dataset, achieving an impressive increase of 11.7% - 13.5% in AP_50 compared to YOLOv5, along with a significant reduction of 5.2% - 7.2% in the error detection rate. Moreover, YOLOD also exhibited remarkable performance on the general MS-COCO dataset, with an increase of 0.4% - 2.6% in AP compared to YOLOv5, and a rise of 2.5% - 4.1% in AP_S compared to YOLOv5. These results demonstrate the superiority of YOLOD in both artificial leather defect detection and general object detection tasks, making it a highly efficient and effective model for real-world applications.

cs.CV↗

arXiv2024

Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models

In this study, we introduce a unified neural network architecture, the Deep Equilibrium Density Functional Theory Hamiltonian (DEQH) model, which incorporates Deep Equilibrium Models (DEQs) for predicting Density Functional Theory (DFT) Hamiltonians. The DEQH model inherently captures the self-consistency nature of Hamiltonian, a critical aspect often overlooked by traditional machine learning approaches for Hamiltonian prediction. By employing DEQ within our model architecture, we circumvent the need for DFT calculations during the training phase to introduce the Hamiltonian's self-consistency, thus addressing computational bottlenecks associated with large or complex systems. We propose a versatile framework that combines DEQ with off-the-shelf machine learning models for predicting Hamiltonians. When benchmarked on the MD17 and QH9 datasets, DEQHNet, an instantiation of the DEQH framework, has demonstrated a significant improvement in prediction accuracy. Beyond a predictor, the DEQH model is a Hamiltonian solver, in the sense that it uses the fixed-point solving capability of the deep equilibrium model to iteratively solve for the Hamiltonian. Ablation studies of DEQHNet further elucidate the network's effectiveness, offering insights into the potential of DEQ-integrated networks for Hamiltonian learning. We open source our implementation at https://github.com/Zun-Wang/DEQHNet.

cs.LG↗

arXiv2024

Masked adversarial neural network for cell type deconvolution in spatial transcriptomics

Accurately determining cell type composition in disease-relevant tissues is crucial for identifying disease targets. Most existing spatial transcriptomics (ST) technologies cannot achieve single-cell resolution, making it challenging to accurately determine cell types. To address this issue, various deconvolution methods have been developed. Most of these methods use single-cell RNA sequencing (scRNA-seq) data from the same tissue as a reference to infer cell types in ST data spots. However, they often overlook the differences between scRNA-seq and ST data. To overcome this limitation, we propose a Masked Adversarial Neural Network (MACD). MACD employs adversarial learning to align real ST data with simulated ST data generated from scRNA-seq data. By mapping them into a unified latent space, it can minimize the differences between the two types of data. Additionally, MACD uses masking techniques to effectively learn the features of real ST data and mitigate noise. We evaluated MACD on 32 simulated datasets and 2 real datasets, demonstrating its accuracy in performing cell type deconvolution. All code and public datasets used in this paper are available at https://github.com/wenwenmin/MACD and https://zenodo.org/records/12804822.

cs.LG↗

arXiv2024

Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation

Computational simulation of chemical and biological systems using ab initio molecular dynamics has been a challenge over decades. Researchers have attempted to address the problem with machine learning and fragmentation-based methods. However, the two approaches fail to give a satisfactory description of long-range and many-body interactions, respectively. Inspired by fragmentation-based methods, we propose the Long-Short-Range Message-Passing (LSR-MP) framework as a generalization of the existing equivariant graph neural networks (EGNNs) with the intent to incorporate long-range interactions efficiently and effectively. We apply the LSR-MP framework to the recently proposed ViSNet and demonstrate the state-of-the-art results with up to 40% MAE reduction for molecules in MD22 and Chignolin datasets. Consistent improvements to various EGNNs will also be discussed to illustrate the general applicability and robustness of our LSR-MP framework. The code for our experiments and trained model weights could be found at https://github.com/liyy2/LSR-MP.

physics.chem-ph↗

arXiv2024

Acceleration without Disruption: DFT Software as a Service

Density functional theory (DFT) has been a cornerstone in computational chemistry, physics, and materials science for decades, benefiting from advancements in computational power and theoretical methods. This paper introduces a novel, cloud-native application, Accelerated DFT, which offers an order of magnitude acceleration in DFT simulations. By integrating state-of-the-art cloud infrastructure and redesigning algorithms for graphic processing units (GPUs), Accelerated DFT achieves high-speed calculations without sacrificing accuracy. It provides an accessible and scalable solution for the increasing demands of DFT calculations in scientific communities. The implementation details, examples, and benchmark results illustrate how Accelerated DFT can significantly expedite scientific discovery across various domains.

physics.chem-ph↗

arXiv2023

Antiferromagnetic magnonic charge current generation via ultrafast optical excitation

Néel spin-orbit torque allows a charge current pulse to efficiently manipulate the Néel vector in antiferromagnets, which offers a unique opportunity for ultrahigh density information storage with high speed. However, the reciprocal process of Néel spin-orbit torque, the generation of ultrafast charge current in antiferromagnets has not been demonstrated. Here, we report the experimental observation of charge current generation in antiferromagnetic metallic Mn2Au thin films using ultrafast optical excitation. The ultrafast laser pulse excites antiferromagnetic magnons, resulting in instantaneous non-equilibrium spin polarization at the antiferromagnetic spin sublattices with broken spatial symmetry. Then the charge current is generated directly via spin-orbit fields at the two sublattices, which is termed as the reciprocal phenomenon of Néel spin-orbit torque, and the associated THz emission can be detected at room temperature. Besides the fundamental significance on the Onsager reciprocity, the observed magnonic charge current generation in antiferromagnet would advance the development of antiferromagnetic THz emitter.

cond-mat.mtrl-sci↗

arXiv2023

How Secure is Your Website? A Comprehensive Investigation on CAPTCHA Providers and Solving Services

Completely Automated Public Turing Test To Tell Computers and Humans Apart (CAPTCHA) has been implemented on many websites to identify between harmful automated bots and legitimate users. However, the revenue generated by the bots has turned circumventing CAPTCHAs into a lucrative business. Although earlier studies provided information about text-based CAPTCHAs and the associated CAPTCHA-solving services, a lot has changed in the past decade regarding content, suppliers, and solvers of CAPTCHA. We have conducted a comprehensive investigation of the latest third-party CAPTCHA providers and CAPTCHA-solving services' attacks. We dug into the details of CAPTCHA-As-a-Service and the latest CAPTCHA-solving services and carried out adversarial experiments on CAPTCHAs and CAPTCHA solvers. The experiment results show a worrying fact: most latest CAPTCHAs are vulnerable to both human solvers and automated solvers. New CAPTCHAs based on hard AI problems and behavior analysis are needed to stop CAPTCHA solvers.

cs.CR↗

arXiv2023

Neural Voting Field for Camera-Space 3D Hand Pose Estimation

We present a unified framework for camera-space 3D hand pose estimation from a single RGB image based on 3D implicit representation. As opposed to recent works, most of which first adopt holistic or pixel-level dense regression to obtain relative 3D hand pose and then follow with complex second-stage operations for 3D global root or scale recovery, we propose a novel unified 3D dense regression scheme to estimate camera-space 3D hand pose via dense 3D point-wise voting in camera frustum. Through direct dense modeling in 3D domain inspired by Pixel-aligned Implicit Functions for 3D detailed reconstruction, our proposed Neural Voting Field (NVF) fully models 3D dense local evidence and hand global geometry, helping to alleviate common 2D-to-3D ambiguities. Specifically, for a 3D query point in camera frustum and its pixel-aligned image feature, NVF, represented by a Multi-Layer Perceptron, regresses: (i) its signed distance to the hand surface; (ii) a set of 4D offset vectors (1D voting weight and 3D directional vector to each hand joint). Following a vote-casting scheme, 4D offset vectors from near-surface points are selected to calculate the 3D hand joint coordinates by a weighted average. Experiments demonstrate that NVF outperforms existing state-of-the-art algorithms on FreiHAND dataset for camera-space 3D hand pose estimation. We also adapt NVF to the classic task of root-relative 3D hand pose estimation, for which NVF also obtains state-of-the-art results on HO3D dataset.

cs.CV↗

arXiv2023

Dichromatic breather molecules in a mode-locked fiber laser

Bound states of solitons (molecules) occur in various settings, playing an important role in the operation of fiber lasers, optical emulations, encoding, and communications. Soliton interactions are generally related to breathing dynamics in nonlinear dissipative systems, maintaining potential applications in spectroscopy. In the present work, dichromatic breather molecules (DBMs) are created in a synchronized mode-locked fiber laser. Real-time delay-shifting interference spectra are measured to display the temporal evolution of the DBMs, that cannot be observed by means of the usual real-time spectroscopy. As a result, robust out-of-phase vibrations are found as a typical intrinsic mode of DBMs. The same bound states are produced numerically in the framework of a model combining equations for the population inversion in the mode-locked laser and XPM-coupled complex Ginzburg-Landau equations for amplitudes of the optical fields in the fiber segments of the laser cavity. The results demonstrate that the Q-switching instability induces the onset of breathing oscillations. The findings offer new possibilities for the design of various regimes of the operation of ultrafast lasers.

physics.optics↗

arXiv2022

Manipulating THz Spin Current Dynamics by the Dzyaloshinskii-Moriya Interaction in Antiferromagnetic Hematite

An important vision of modern magnetic research is to use antiferromagnets as controllable and active ultrafast components in spintronic devices. Hematite is a promising model material in this respect because its pronounced Dzyaloshinskii-Moriya interaction leads to the coexistence of antiferromagnetism and weak ferromagnetism. Here, we use femtosecond laser pulses to drive terahertz spin currents from hematite into an adjacent Pt layer. We find two contributions to the generation of the spin current with distinctly different dynamics: the impulsive stimulated Raman scatting that relies on the antiferromagnetic order and the ultrafast spin Seebeck effect that relies on the net magnetization. The total THz spin current dynamics can thus be manipulated by a medium-strength magnetic field. The controllability of the THz spin current achieved in hematite opens the pathway toward controlling the exact spin current dynamics from ultrafast antiferromagnetic spin sources.

cond-mat.mes-hall↗

arXiv2022

YOLOSA: Object detection based on 2D local feature superimposed self-attention

We analyzed the network structure of real-time object detection models and found that the features in the feature concatenation stage are very rich. Applying an attention module here can effectively improve the detection accuracy of the model. However, the commonly used attention module or self-attention module shows poor performance in detection accuracy and inference efficiency. Therefore, we propose a novel self-attention module, called 2D local feature superimposed self-attention, for the feature concatenation stage of the neck network. This self-attention module reflects global features through local features and local receptive fields. We also propose and optimize an efficient decoupled head and AB-OTA, and achieve SOTA results. Average precisions of 49.0% (71FPS, 14ms), 46.1% (85FPS, 11.7ms), and 39.1% (107FPS, 9.3ms) were obtained for large, medium, and small-scale models built using our proposed improvements. Our models exceeded YOLOv5 by 0.8% -- 3.1% in average precision.

cs.CV↗

arXiv2022

Neural Correspondence Field for Object Pose Estimation

We propose a method for estimating the 6DoF pose of a rigid object with an available 3D model from a single RGB image. Unlike classical correspondence-based methods which predict 3D object coordinates at pixels of the input image, the proposed method predicts 3D object coordinates at 3D query points sampled in the camera frustum. The move from pixels to 3D points, which is inspired by recent PIFu-style methods for 3D reconstruction, enables reasoning about the whole object, including its (self-)occluded parts. For a 3D query point associated with a pixel-aligned image feature, we train a fully-connected neural network to predict: (i) the corresponding 3D object coordinates, and (ii) the signed distance to the object surface, with the first defined only for query points in the surface vicinity. We call the mapping realized by this network as Neural Correspondence Field. The object pose is then robustly estimated from the predicted 3D-3D correspondences by the Kabsch-RANSAC algorithm. The proposed method achieves state-of-the-art results on three BOP datasets and is shown superior especially in challenging cases with occlusion. The project website is at: linhuang17.github.io/NCF.

cs.CV↗