Harmonizing Covariance and Expressiveness for Deep Hamiltonian Regression in Crystalline Material Research: a Hybrid Cascaded Regression Framework

Deep learning for Hamiltonian regression of quantum systems in material research necessitates satisfying the covariance laws, among which achieving SO(3)-equivariance without sacrificing the expressiveness capability of networks remains an elusive challenge due to the restriction to non-linear mappings on guaranteeing theoretical equivariance. To alleviate the covariance-expressiveness dilemma, we propose a hybrid framework with two cascaded regression stages. The first stage, i.e., a theoretically-guaranteed covariant neural network modeling symmetry properties of 3D atom systems, predicts baseline Hamiltonians with theoretically covariant features extracted, assisting the second stage in learning covariance. Meanwhile, the second stage, powered by a non-linear 3D graph Transformer network we propose for structural modeling of atomic systems, refines the first stage's output as a fine-grained prediction of Hamiltonians with better expressiveness capability. The combination of a theoretically covariant yet inevitably less expressive model with a highly expressive non-linear network enables precise, generalizable predictions while maintaining robust covariance under coordinate transformations. Our method achieves state-of-the-art performance in Hamiltonian prediction for electronic structure calculations, confirmed through experiments on six crystalline material databases. The codes and configuration scripts are available in the supplementary material.

1DFormer: Learning 1D Landmark Representations via Transformer for Facial Landmark Tracking

Recently, heatmap regression methods based on 1D landmark representations have shown prominent performance on locating facial landmarks. However, previous methods ignored to make deep explorations on the good potentials of 1D landmark representations for sequential and structural modeling of multiple landmarks to track facial landmarks. To address this limitation, we propose a Transformer architecture, namely 1DFormer, which learns informative 1D landmark representations by capturing the dynamic and the geometric patterns of landmarks via token communications in both temporal and spatial dimensions for facial landmark tracking. For temporal modeling, we propose a recurrent token mixing mechanism, an axis-landmark-positional embedding mechanism, as well as a confidence-enhanced multi-head attention mechanism to adaptively and robustly embed long-term landmark dynamics into their 1D representations; for structure modeling, we design intra-group and inter-group structure modeling mechanisms to encode the component-level as well as global-level facial structure patterns as a refinement for the 1D representations of landmarks through token communications in the spatial dimension via 1D convolutional layers. Experimental results on the 300VW and the TF databases show that 1DFormer successfully models the long-range sequential patterns as well as the inherent facial structures to learn informative 1D representations of landmark sequences, and achieves state-of-the-art performance on facial landmark tracking.

Spot keywords from very noisy and mixed speech

Most existing keyword spotting research focuses on conditions with slight or moderate noise. In this paper, we try to tackle a more challenging task: detecting keywords buried under strong interfering speech (10 times higher than the keyword in amplitude), and even worse, mixed with other keywords. We propose a novel Mix Training (MT) strategy that encourages the model to discover low-energy keywords from noisy and mixed speech. Experiments were conducted with a vanilla CNN and two EfficientNet (B0/B2) architectures. The results evaluated with the Google Speech Command dataset demonstrated that the proposed mix training approach is highly effective and outperforms standard data augmentation and mixup training.

Attentive One-Dimensional Heatmap Regression for Facial Landmark Detection and Tracking

Although heatmap regression is considered a state-of-the-art method to locate facial landmarks, it suffers from huge spatial complexity and is prone to quantization error. To address this, we propose a novel attentive one-dimensional heatmap regression method for facial landmark localization. First, we predict two groups of 1D heatmaps to represent the marginal distributions of the x and y coordinates. These 1D heatmaps reduce spatial complexity significantly compared to current heatmap regression methods, which use 2D heatmaps to represent the joint distributions of x and y coordinates. With much lower spatial complexity, the proposed method can output high-resolution 1D heatmaps despite limited GPU memory, significantly alleviating the quantization error. Second, a co-attention mechanism is adopted to model the inherent spatial patterns existing in x and y coordinates, and therefore the joint distributions on the x and y axes are also captured. Third, based on the 1D heatmap structures, we propose a facial landmark detector capturing spatial patterns for landmark detection on an image; and a tracker further capturing temporal patterns with a temporal refinement mechanism for landmark tracking. Experimental results on four benchmark databases demonstrate the superiority of our method.

Multiple Face Analyses through Adversarial Learning

This inherent relations among multiple face analysis tasks, such as landmark detection, head pose estimation, gender recognition and face attribute estimation are crucial to boost the performance of each task, but have not been thoroughly explored since typically these multiple face analysis tasks are handled as separate tasks. In this paper, we propose a novel deep multi-task adversarial learning method to localize facial landmark, estimate head pose and recognize gender jointly or estimate multiple face attributes simultaneously through exploring their dependencies from both image representation-level and label-level. Specifically, the proposed method consists of a deep recognition network R and a discriminator D. The deep recognition network is used to learn the shared middle-level image representation and conducts multiple face analysis tasks simultaneously. Through multi-task learning mechanism, the recognition network explores the dependencies among multiple face analysis tasks, such as facial landmark localization, head pose estimation, gender recognition and face attribute estimation from image representation-level. The discriminator is introduced to enforce the distribution of the multiple face analysis tasks to converge to that inherent in the ground-truth labels. During training, the recognizer tries to confuse the discriminator, while the discriminator competes with the recognizer through distinguishing the predicted label combination from the ground-truth one. Though adversarial learning, we explore the dependencies among multiple face analysis tasks from label-level. Experimental results on four benchmark databases, i.e., the AFLW database, the Multi-PIE database, the CelebA database and the LFWA database, demonstrate the effectiveness of the proposed method for multiple face analyses.

Closed-Loop Adaptation for Weakly-Supervised Semantic Segmentation

Weakly-supervised semantic segmentation aims to assign each pixel a semantic category under weak supervisions, such as image-level tags. Most of existing weakly-supervised semantic segmentation methods do not use any feedback from segmentation output and can be considered as open-loop systems. They are prone to accumulated errors because of the static seeds and the sensitive structure information. In this paper, we propose a generic self-adaptation mechanism for existing weakly-supervised semantic segmentation methods by introducing two feedback chains, thus constituting a closed-loop system. Specifically, the first chain iteratively produces dynamic seeds by incorporating cross-image structure information, whereas the second chain further expands seed regions by a customized random walk process to reconcile inner-image structure information characterized by superpixels. Experiments on PASCAL VOC 2012 suggest that our network outperforms state-of-the-art methods with significantly less computational and memory burden.

Fast and accurate reconstruction of HARDI using a 1D encoder-decoder convolutional network

High angular resolution diffusion imaging (HARDI) demands a lager amount of data measurements compared to diffusion tensor imaging, restricting its use in practice. In this work, we explore a learning-based approach to reconstruct HARDI from a smaller number of measurements in q-space. The approach aims to directly learn the mapping relationship between the measured and HARDI signals from the collecting HARDI acquisitions of other subjects. Specifically, the mapping is represented as a 1D encoder-decoder convolutional neural network under the guidance of the compressed sensing (CS) theory for HARDI reconstruction. The proposed network architecture mainly consists of two parts: an encoder network produces the sparse coefficients and a decoder network yields a reconstruction result. Experiment results demonstrate we can robustly reconstruct HARDI signals with the accurate results and fast speed.

Fully-automatic segmentation of kidneys in clinical ultrasound images using a boundary distance regression network

It remains challenging to automatically segment kidneys in clinical ultrasound images due to the kidneys' varied shapes and image intensity distributions, although semi-automatic methods have achieved promising performance. In this study, we developed a novel boundary distance regression deep neural network to segment the kidneys, informed by the fact that the kidney boundaries are relatively consistent across images in terms of their appearance. Particularly, we first use deep neural networks pre-trained for classification of natural images to extract high-level image features from ultrasound images, then these feature maps are used as input to learn kidney boundary distance maps using a boundary distance regression network, and finally the predicted boundary distance maps are classified as kidney pixels or non-kidney pixels using a pixel classification network in an end-to-end learning fashion. Experimental results have demonstrated that our method could effectively improve the performance of automatic kidney segmentation, significantly better than deep learning based pixel classification networks.

Subsequent Boundary Distance Regression and Pixelwise Classification Networks for Automatic Kidney Segmentation in Ultrasound Images

It remains challenging to automatically segment kidneys in clinical ultrasound (US) images due to the kidneys' varied shapes and image intensity distributions, although semi-automatic methods have achieved promising performance. In this study, we propose subsequent boundary distance regression and pixel classification networks to segment the kidneys, informed by the fact that the kidney boundaries have relatively homogenous texture patterns across images. Particularly, we first use deep neural networks pre-trained for classification of natural images to extract high-level image features from US images, then these features are used as input to learn kidney boundary distance maps using a boundary distance regression network, and finally the predicted boundary distance maps are classified as kidney pixels or non-kidney pixels using a pixel classification network in an end-to-end learning fashion. We also proposed a novel data-augmentation method based on kidney shape registration to generate enriched training data from a small number of US images with manually segmented kidney labels. Experimental results have demonstrated that our method could effectively improve the performance of automatic kidney segmentation, significantly better than deep learning based pixel classification networks.