Hao Xie

Hao Xie, Zi-Hang Li, Han Wang et al.

We developed a deep generative model-based variational free energy approach to the equations of state of dense hydrogen. We employ a normalizing flow network to model the proton Boltzmann distribution and a fermionic neural network to model the electron wave function at given proton positions. By jointly optimizing the two neural networks we reached a comparable variational free energy to the previous coupled electron-ion Monte Carlo calculation. The predicted equation of state of dense hydrogen under planetary conditions is denser than the findings of ab initio molecular dynamics calculation and empirical chemical model. Moreover, direct access to the entropy and free energy of dense hydrogen opens new opportunities in planetary modeling and high-pressure physics research.

Hao Xie, Zixun Huang, Yushen Zuo et al.

Spine segmentation, based on ultrasound volume projection imaging (VPI), plays a vital role for intelligent scoliosis diagnosis in clinical applications. However, this task faces several significant challenges. Firstly, the global contextual knowledge of spines may not be well-learned if we neglect the high spatial correlation of different bone features. Secondly, the spine bones contain rich structural knowledge regarding their shapes and positions, which deserves to be encoded into the segmentation process. To address these challenges, we propose a novel scale-adaptive structure-aware network (SA$^{2}$Net) for effective spine segmentation. First, we propose a scale-adaptive complementary strategy to learn the cross-dimensional long-distance correlation features for spinal images. Second, motivated by the consistency between multi-head self-attention in Transformers and semantic level affinity, we propose structure-affinity transformation to transform semantic features with class-specific affinity and combine it with a Transformer decoder for structure-aware reasoning. In addition, we adopt a feature mixing loss aggregation method to enhance model training. This method improves the robustness and accuracy of the segmentation process. The experimental results demonstrate that our SA$^{2}$Net achieves superior segmentation performance compared to other state-of-the-art methods. Moreover, the adaptability of SA$^{2}$Net to various backbones enhances its potential as a promising tool for advanced scoliosis diagnosis using intelligent spinal image analysis. The code and experimental demo are available at https://github.com/taetiseo09/SA2Net.

Yixiao Chen, Hao Xie, Han Wang

We propose a new algorithm for efficiently solving the damped Fisher matrix in large-scale scenarios where the number of parameters significantly exceeds the number of available samples. This problem is fundamental for natural gradient descent and stochastic reconfiguration. Our algorithm is based on Cholesky decomposition and is generally applicable. Benchmark results show that the algorithm is significantly faster than existing methods.

Yushen Zuo, Jun Xiao, Kin-Chung Chan et al.

The stylization of 3D scenes is an increasingly attractive topic in 3D vision. Although image style transfer has been extensively researched with promising results, directly applying 2D style transfer methods to 3D scenes often fails to preserve the structural and multi-view properties of 3D environments, resulting in unpleasant distortions in images from different viewpoints. To address these issues, we leverage the remarkable generative prior of diffusion-based models and propose a novel style transfer method, OSDiffST, based on a pre-trained one-step diffusion model (i.e., SD-Turbo) for rendering diverse styles in multi-view images of 3D scenes. To efficiently adapt the pre-trained model for multi-view style transfer on small datasets, we introduce a vision condition module to extract style information from the reference style image to serve as conditional input for the diffusion model and employ LoRA in diffusion model for adaptation. Additionally, we consider color distribution alignment and structural similarity between the stylized and content images using two specific loss functions. As a result, our method effectively preserves the structural information and multi-view consistency in stylized images without any 3D information. Experiments show that our method surpasses other promising style transfer methods in synthesizing various styles for multi-view images of 3D scenes. Stylized images from different viewpoints generated by our method achieve superior visual quality, with better structural integrity and less distortion. The source code is available at https://github.com/YushenZuo/OSDiffST.

Zihang Li, Hao Xie, Xinyang Dong et al.

We develop a deep variational free energy framework to compute the equation of state of hydrogen in the warm dense matter region. This method parameterizes the variational density matrix of hydrogen nuclei and electrons at finite temperature using three deep generative models: a normalizing flow model that represents the Boltzmann distribution of the classical nuclei, an autoregressive transformer that models the distribution of electrons in excited states, and a permutational equivariant flow model that constructs backflow coordinates for electrons in Hartree-Fock orbitals. By jointly optimizing the three neural networks to minimize the variational free energy, we obtain the equation of state and related thermodynamic properties of dense hydrogen. We compare our results with other theoretical and experimental results on the deuterium Hugoniot curve, aiming to resolve existing discrepancies. The calculated results provide a valuable benchmark for deuterium in the warm dense matter region.

Hao Xie, Saburo Howard, Guglielmo Mazzola

Accurate determination of the equation of state of dense hydrogen is essential for understanding gas giants. Currently, there is still no consensus on methods for calculating its entropy, which play a fundamental role and can result in qualitatively different predictions for Jupiter's interior. Here, we investigate various aspects of entropy calculation for dense hydrogen based on ab initio molecular dynamics simulations. Specifically, we employ the recently developed flow matching method to validate the accuracy of the traditional thermodynamic integration approach. We then clearly identify pitfalls in previous attempts and propose a reliable framework for constructing the hydrogen equation of state, which is accurate and thermodynamically consistent across a wide range of temperature and pressure conditions. This allows us to conclusively address the long-standing discrepancies in Jupiter's adiabat among earlier studies, demonstrating the potential of our approach for providing reliable equations of state of diverse materials.

Jun Xiao, Zihang Lyu, Hao Xie et al.

Blind image restoration remains a significant challenge in low-level vision tasks. Recently, denoising diffusion models have shown remarkable performance in image synthesis. Guided diffusion models, leveraging the potent generative priors of pre-trained models along with a differential guidance loss, have achieved promising results in blind image restoration. However, these models typically consider data consistency solely in the spatial domain, often resulting in distorted image content. In this paper, we propose a novel frequency-aware guidance loss that can be integrated into various diffusion models in a plug-and-play manner. Our proposed guidance loss, based on 2D discrete wavelet transform, simultaneously enforces content consistency in both the spatial and frequency domains. Experimental results demonstrate the effectiveness of our method in three blind restoration tasks: blind image deblurring, imaging through turbulence, and blind restoration for multiple degradations. Notably, our method achieves a significant improvement in PSNR score, with a remarkable enhancement of 3.72\,dB in image deblurring. Moreover, our method exhibits superior capability in generating images with rich details and reduced distortion, leading to the best visual quality.

T-H. Hubert Chan, Hao Xie, Mengshi Zhao

We examine a private ADMM variant for (strongly) convex objectives which is a primal-dual iterative method. Each iteration has a user with a private function used to update the primal variable, masked by Gaussian noise for local privacy, without directly adding noise to the dual variable. Privacy amplification by iteration explores if noises from later iterations can enhance the privacy guarantee when releasing final variables after the last iteration. Cyffers et al. [ICML 2023] explored privacy amplification by iteration for the proximal ADMM variant, where a user's entire private function is accessed and noise is added to the primal variable. In contrast, we examine a private ADMM variant requiring just one gradient access to a user's function, but both primal and dual variables must be passed between successive iterations. To apply Balle et al.'s [NeurIPS 2019] coupling framework to the gradient ADMM variant, we tackle technical challenges with novel ideas. First, we address the non-expansive mapping issue in ADMM iterations by using a customized norm. Second, because the dual variables are not masked with any noise directly, their privacy guarantees are achieved by treating two consecutive noisy ADMM iterations as a Markov operator. Our main result is that the privacy guarantee for the gradient ADMM variant can be amplified proportionally to the number of iterations. For strongly convex objective functions, this amplification exponentially increases with the number of iterations. These amplification results align with the previously studied special case of stochastic gradient descent.

Zongqi He, Hanmin Li, Kin-Chung Chan et al.

3D Gaussian Splatting (3DGS) has demonstrated remarkable real-time performance in novel view synthesis, yet its effectiveness relies heavily on dense multi-view inputs with precisely known camera poses, which are rarely available in real-world scenarios. When input views become extremely sparse, the Structure-from-Motion (SfM) method that 3DGS depends on for initialization fails to accurately reconstruct the 3D geometric structures of scenes, resulting in degraded rendering quality. In this paper, we propose a novel SfM-free 3DGS-based method that jointly estimates camera poses and reconstructs 3D scenes from extremely sparse-view inputs. Specifically, instead of SfM, we propose a dense stereo module to progressively estimates camera pose information and reconstructs a global dense point cloud for initialization. To address the inherent problem of information scarcity in extremely sparse-view settings, we propose a coherent view interpolation module that interpolates camera poses based on training view pairs and generates viewpoint-consistent content as additional supervision signals for training. Furthermore, we introduce multi-scale Laplacian consistent regularization and adaptive spatial-aware multi-scale geometry regularization to enhance the quality of geometrical structures and rendered content. Experiments show that our method significantly outperforms other state-of-the-art 3DGS-based approaches, achieving a remarkable 2.75dB improvement in PSNR under extremely sparse-view conditions (using only 2 training views). The images synthesized by our method exhibit minimal distortion while preserving rich high-frequency details, resulting in superior visual quality compared to existing techniques.

Hao Xie, Linfeng Zhang, Lei Wang

The quasiparticle effective mass $m^\ast$ of interacting electrons is a fundamental quantity in the Fermi liquid theory. However, the precise value of the effective mass of uniform electron gas is still elusive after decades of research. The newly developed neural canonical transformation approach [Xie et al., J. Mach. Learn. 1, (2022)] offers a principled way to extract the effective mass of electron gas by directly calculating the thermal entropy at low temperature. The approach models a variational many-electron density matrix using two generative neural networks: an autoregressive model for momentum occupation and a normalizing flow for electron coordinates. Our calculation reveals a suppression of effective mass in the two-dimensional spin-polarized electron gas, which is more pronounced than previous reports in the low-density strong-coupling region. This prediction calls for verification in two-dimensional electron gas experiments.

Hao Xie, Linfeng Zhang, Lei Wang

We present a variational density matrix approach to the thermal properties of interacting fermions in the continuum. The variational density matrix is parametrized by a permutation equivariant many-body unitary transformation together with a discrete probabilistic model. The unitary transformation is implemented as a quantum counterpart of neural canonical transformation, which incorporates correlation effects via a flow of fermion coordinates. As the first application, we study electrons in a two-dimensional quantum dot with an interaction-induced crossover from Fermi liquid to Wigner molecule. The present approach provides accurate results in the low-temperature regime, where conventional quantum Monte Carlo methods face severe difficulties due to the fermion sign problem. The approach is general and flexible for further extensions, thus holds the promise to deliver new physical results on strongly correlated fermions in the context of ultracold quantum gases, condensed matter, and warm dense matter physics.

Tiankuang Zhou, Xing Lin, Jiamin Wu et al.

Application-specific optical processors have been considered disruptive technologies for modern computing that can fundamentally accelerate the development of artificial intelligence (AI) by offering substantially improved computing performance. Recent advancements in optical neural network architectures for neural information processing have been applied to perform various machine learning tasks. However, the existing architectures have limited complexity and performance; and each of them requires its own dedicated design that cannot be reconfigured to switch between different neural network models for different applications after deployment. Here, we propose an optoelectronic reconfigurable computing paradigm by constructing a diffractive processing unit (DPU) that can efficiently support different neural networks and achieve a high model complexity with millions of neurons. It allocates almost all of its computational operations optically and achieves extremely high speed of data modulation and large-scale network parameter updating by dynamically programming optical modulators and photodetectors. We demonstrated the reconfiguration of the DPU to implement various diffractive feedforward and recurrent neural networks and developed a novel adaptive training approach to circumvent the system imperfections. We applied the trained networks for high-speed classifying of handwritten digit images and human action videos over benchmark datasets, and the experimental results revealed a comparable classification accuracy to the electronic computing approaches. Furthermore, our prototype system built with off-the-shelf optoelectronic components surpasses the performance of state-of-the-art graphics processing units (GPUs) by several times on computing speed and more than an order of magnitude on system energy efficiency.