Introduction
Astronomical X-ray polarimetry is a powerful tool for probing the magnetic fields, geometries, and emission physics of high-energy astrophysical sources [1–2]. Astronomical X-ray polarization measurements originated in the 1960s to detect the soft X-ray polarization of the crab nebula, Scorpius X-1, and other objects using Bragg diffraction and Thomson scattering polarimeters [3]. However, the limited sensitivity of the polarimeter has stalled astronomical X-ray polarization measurements for more than 40 years since the experiments on the OSO-8 satellite in 1968.
The photoelectric effect dominates light–matter interactions in the energy range of a few kiloelecton volts. The differential cross-section of photoelectrons is proportional to
However, owing to Coulomb scattering, transverse diffusion during drift, and electronic noise, the reconstruction of emission angles from photoelectron tracks is complicated. The performance of the photoelectron track-reconstruction algorithm significantly affects the polarimeter sensitivity.
Recently, there have been two types of track reconstruction methods: traditional algorithms, which include the moment analysis method [14], adaptive cut method [15], and graph-based method [16], and reconstruction methods based on convolutional neural networks (CNNs) [17-19], which demonstrate great advantages in track reconstruction owing to their powerful image processing capabilities. However, major space polarimetry missions use a hexagonal-pixel application specific integrated circuit (ASIC) to read track images for better isotropy [6–11], resulting in photoelectron track images with a hexagonal-pixel structure (Fig. 1). Existing CNN-based methods use classical rectangle-based CNNs with an additional step to convert hexagonal-pixel track images into approximate square-pixel track images, which results in the loss of information in the photoelectron image.
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Therefore, the development of CNN methods that match the hexagonal-pixel track structure is a worthwhile research direction with good scientific significance and promising performance. Hexagonal CNNs are deep-learning models based on hexagonal-pixel structures. In hexagonal CNNs, hexagonal convolutional kernels are used instead of the rectangular convolutional kernels used in classical CNNs to better capture the spatial context information in hexagonal-pixel images. The use of hexagonal CNNs to process hexagonal-pixel photoelectron track images in GPD is expected to achieve better polarization reconstruction.
In this study, we proposed a new X-ray polarization reconstruction method based on hexagonal CNNs. The remainder of this paper is organized as follows. Section 2 briefly introduces hexagonal CNNs and uncertainty quantification in deep learning. Section 3 describes the training procedure for the hexagonal CNNs for photoelectron track reconstruction. Section 4 presents the prediction and reconstruction results of the hexagonal CNN method. Finally, Sect. 5 concludes the paper and presents prospects for future development.
Hexagonal CNNs and uncertainty quantification in deep learning
Hexagonal CNNs
CNNs have received considerable attention in recent years owing to their excellent performance in computer vision and big data applications [20–24]. With the increase in their application fields, classical CNNs based on a Cartesian architecture can no longer meet the demands of complex problems. Many studies have made significant advances in the design of network architectures and convolutional operations, generalizing CNNs for multi-view applications [25], non-Euclidean spaces [26], and other domains.
Typically, images are acquired using square sensor arrays. However, square grids are not the best solution for planar segmentation. Compared with square grids, hexagonal grids have many advantages such as 6-fold rotational symmetry, a smaller edge-to-area ratio, and equidistant neighbors. Hexagonal grids are widely used in cosmological, astrophysical, and visual systems.
Hexagonal CNNs are a class of deep-learning networks based on hexagonal grids, in which a hexagonal convolution kernel is used to replace the rectangular convolution kernel in classical CNNs. The differences between the two types of convolution kernels are illustrated in Fig. 2. Compared with classical CNNs, hexagonal CNNs have better symmetry and exhibit unique advantages for aerial scenes and geospatial information [27].
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Despite the abovementioned advantages over classical CNNs, hexagonal CNNs have a higher computational complexity and are generally more difficult to train. The existing research on hexagonal CNNs involves two main approaches. One is to implement hexagonal convolution by reusing existing highly optimized rectangle-shaped convolution routines, such as HexagDLy [28] and HexagonNet [29], whereas other studies have focused on native hexagonal CNN architectures that can implement hexagonal convolutional operations directly, such as HexCNN [30]. Although native hexagonal CNNs have tremendous advantages in terms of their training time and memory space cost, they cannot yet be implemented on GPUs to exploit their efficient parallel computation to accelerate model training and inference [30]. HexagDLy is a Python library that performs convolution and pooling operations on hexagonal pixel data. Figure 3 shows a convolutional implementation with a hexagonal kernel size of 1 in HexagDLy as an example [29]. We constructed a hexagonal CNN architecture for track reconstruction using HexagDLy, considering its flexibility and user-friendliness. The detailed hexagonal CNN architecture for photoelectron track reconstruction is discussed in Sect. 3.
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Uncertainty quantification
Deep learning uncertainty estimation is also a popular research direction, which allows a neural network to output not only prediction
There are two main types of uncertainties in deep learning: aleatoric uncertainty (also known as data uncertainty) and epistemic uncertainty (also known as model uncertainty) [31]. Aleatoric uncertainty is used to assess the data uncertainty that arises because of class overlap or inherent noise in the data and cannot be reduced by collecting more data. Epistemic uncertainty is used to assess the model uncertainty caused by a lack of cognition regarding the distribution of the data or an inadequate model structure. Theoretically, epistemic uncertainty can be reduced using more complex models, expanding the data, or using regularization techniques [32].
The aleatoric uncertainty can be modeled by augmenting the loss function. For example, assuming that the noise of the data obeys a Gaussian distribution (i.e.,
Epistemic uncertainty is significantly more difficult to quantify than aleatoric uncertainty, although many methods to do so have been proposed, including Bayesian neural networks (BNNs), deep ensembles, and evidential deep regression (EDR).
BNNs introduce priori assumptions to model epistemic uncertainty by setting a prior distribution,
Deep ensembles are another powerful approach for modeling epistemic uncertainty and have been widely used in many applications. A deep ensemble uses several base models and can generate multiple predictions,
Furthermore, EDR directly learns the higher-order distribution of the neural network output. It uses a deterministic network to learn both the aleatoric and epistemic uncertainties by placing evidential priors over the original loss function that predicts the aleatoric uncertainty. EDR has achieved satisfactory results in many applications. However, a recent study found that EDR has theoretical shortcomings in terms of its mathematical foundations [33].
Taking all these considerations into account, we chose to estimate the aleatoric uncertainty by augmenting the loss function and estimate the epistemic uncertainty using deep ensembles, which are more stable and easier to implement.
Hexagonal CNN model training for photoelectron track reconstruction
X-ray polarization reconstruction algorithms are typically divided into two steps. First, the track features are extracted from individual photoelectron track images (also called track reconstruction), which typically include the photoelectron emission angles
Dataset
Supervised learning was used for the photoelectron track reconstruction. Because the true emission angle,
PolarLight is a small X-ray GPD onboard a CubeSat that performs on-orbit scientific observations. An ASIC designed by the INFN-Pisa group with a pixel matrix of
The photoelectron track features included the emission angles, absorption points, and photoelectron energies. Because the reconstruction of photoelectron energies is relatively simple and can be done well using non-CNN algorithms, we only reconstructed (
The dataset used for CNN model training should be uniformly distributed; otherwise, the model may suffer from overfitting, low prediction accuracy, or biased prediction results. Hence, the parameters of the incident X-rays in the simulation algorithms were set as follows.
1) To ensure a uniform distribution of emission angles, the polarization of the incident X-rays was set to zero. In other words, the incident X-rays were unpolarized.
2) To ensure that the hexagonal CNN model performed well in the tracking feature extraction for the entire detector plane, the coordinates
3) Because the effective energy range of PolarLight is 2–8 keV, the incident X-rays were uniformly distributed in the range of 2–9 keV to ensure that the hexagonal CNN model was adequately trained for the data at the edge of the energy interval. Because low-energy photoelectron track images are noisy, and it is difficult to extract track features from them, the dataset was not expanded to include lower energies.
We simulated 870,050 photoelectron tracks with uniform distributions of emission angles, absorption points, and energies and then split them into a training set (90%), validation set (5%), and test set (5%).
It is important to note that photoelectron tracks are generated not only by photons interacting with the gas in the GPD but also by photons interacting with the detector components outside the gas volume (e.g., the beryllium window and gas electron multiplier (GEM)), in which case the photoelectrons lose some of their energy and produce a low-energy tail in the energy histogram [18, 19]. It is often difficult to recover emission angles from these tracks. Our study focused on reconstructing the photoelectron tracks generated within the GPD gas volume; therefore, tail tracks were removed from the dataset. In addition, photoelectron tracks, particularly those of high-energy photoelectrons, may pass through the detector without completely depositing their energy. These tracks were removed.
Because the HexagDLy used in this study was implemented based on a rectangle-shaped convolution, image preprocessing was required to convert the hexagonal grid tracks into square grid images. Figure 4 shows an example of the image preprocessing. In order to take full advantage of the 6-fold rotational symmetry of the hexagonal grid images, each photoelectron track image was converted into three input images, including those that were unrotated, rotated by +60°, and rotated by –60°. Furthermore, considering the photoelectron track length and pixel size of the readout ASIC, we set the photoelectron track image size to
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Loss function
Because track reconstruction is a multitasking problem, it was necessary to separately establish loss functions for the emission angles and absorption points.
The emission angles of photoelectrons are periodic and their distribution is more consistent with a Von Mises (VM) distribution, which is a continuous probability distribution with a range of 0–2π and is the circular analog of the normal distribution on a line. To predict the epistemic uncertainty, the NLL of the Von Mises distribution is a better choice than the Gaussian NLL described in Sect. 2.2. The loss function of the emission angles based on the Von Mises distribution of a single hexagonal CNN model is given by Eq. (2), with a detailed description in [19]:
Assuming that the epistemic VM uncertainty,
The total uncertainty variance,
The loss function of the absorption points is the L2 loss function (Eq. 7), which is commonly used in CNNs. The uncertainty in the absorption points is not the focus of this study and can be obtained using Eq. (1) combined with a deep ensemble if needed.
The total loss function of a single hexagonal CNN model for track reconstruction is found as follows:
These individual loss functions are connected by three hyperparameter weights: α, β, σ. An individual hexagonal CNN model will predict a five-dimensional vector (
Hexagonal CNN architecture
The reconstruction of the emission angles and absorption points is complex, and a simple architecture with three or four convolution layers cannot satisfy the demand for track reconstruction. Considering the photoelectron track features, we built hexagonal CNNs for track reconstruction based on the ResNet-18 architecture [35].
A residual block is the basic unit of a residual network. The hexagonal residual block (Fig. 5) used in this study was constructed using the hexagonal convolution operation provided by HexagDLy. It has a hexagonal convolution layer with a kernel size of one defined by HexagDLy, a batch normalization layer, and an ReLU activation function, followed by another hexagonal convolution layer with a kernel size of one and a batch normalization layer. Subsequently, the skip connection skips these layers and directly adds a rectified linear unit (ReLU) activation function. These hexagonal residual blocks are repeated to form a complete hexagonal CNN architecture for track reconstruction.
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In this hexagonal CNN architecture (Table 1), the conv1 layer used a hexagonal convolution layer (kernel size = 1) and hexagonal maximum pooling layer (kernel size = 1, stride = 2) to extract track features. Then, the conv2–conv5 layers formed by the hexagonal residual blocks were used to extract deeper track features. Finally, feature maps generated by conv5 were converted into a five-dimensional vector (
Layer name | Layer | Output size | Feature map |
---|---|---|---|
conv1 | hexconv 1 | 64 | |
hexMaxPool2d | |||
conv2 | Residual block×2 | 64 | |
conv3 | Residual block×2 | 128 | |
conv4 | Residual block×2 | 256 | |
conv5 | Residual block×2 | 512 | |
avgpool | Average pooling | 512 | |
fc | Fully connected | 5 |
Training
A standardization operation was applied to the training data before training to prevent vanishing and exploding gradients and to accelerate convergence:
The hexagonal CNN model was optimized using stochastic gradient descent with momentum (SGD), which is a typical optimization algorithm used in deep learning. The learning rate was decreased in steps starting at 0.005. The model parameters were randomly initialized before training to provide a different start for training and to generate five different initialized hexagonal CNN models for deep ensembles. Considering the memory consumption of the hexagonal CNN model, batch sizes of 512 and 1024 were selected. The hexagonal CNN model training lasted for 150 epochs, and the hyperparameters in the loss function were
Results
This section reports the performance of the hexagonal CNN method for track and polarization reconstruction using simulated PolarLight track images.
Emission angle reconstruction and uncertainty estimation
The reconstruction of photoelectron emission angles is the basis of X-ray polarization reconstruction. More accurate emission angle reconstruction can significantly improve the performance of a polarization reconstruction algorithm.
The hexagonal CNN method reported here used
Figure 6 shows the results of the emission angle reconstructions using the moment analysis and hexagonal CNN methods with photoelectron energies of 3 and 9 keV. Because of the inability to accurately distinguish between the beginning and end of a photoelectron track, especially at lower energies, there was a 180° confusion in the emission angle reconstruction, as shown by the two sub-bright lines parallel to the central bright line in Fig. 6. Notably, this 180° confusion did not affect the polarization reconstruction, where the EVPA ranged from
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The root mean square error (RMSE) was calculated using Eq. 11 to evaluate the accuracy of the emission angle reconstruction. Figure 7 shows the RMSE of the emission angles as a function of the incident X-ray energy for both the moment analysis and hexagonal CNN methods on an unpolarized PolarLight dataset:
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The hexagonal CNN method did not significantly improve the reconstruction accuracy of the emission angles compared to the moment analysis method for low-energy photoelectrons with short and noisy tracks. As the X-ray energy increased, the photoelectron tracks became longer, with clearer initial segments. Both reconstruction algorithms provided high accuracy for emission angle reconstruction, but the hexagonal CNN method was significantly better than the moment analysis method for these complex tracks.
Another important prediction for the emission angle is the predicted error,
The difficulty in reconstructing the emission angle of the photoelectron track is related to the degree of transverse electron diffusion during drift, degree of track shortening due to the projection of the 3D photoelectron track onto a 2D readout plane, and photoelectron energy. To facilitate this discussion, a coordinate system was established for the effective sensitive volume of the PolarLight GPD. The effective sensitive volume of PolarLight is 15 mm×15 mm×10 mm. We defined the x-y plane as the plane of the readout, the z-axis direction as the direction of the electric field, and the coordinates of the center point of the effective sensitive volume as (0,0,0).
The distributions of predicted error
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Taken together, the predicted error of the emission angle obtained using the hexagonal CNN method was reasonable, reflecting the degree of blurring of the photoelectron tracks and the difficulty in reconstructing the emission angle.
Furthermore, the relationship between the real emission angle reconstruction error,
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Absorption point reconstruction
The reconstruction of the absorption points is important for improving the spatial resolution of a polarimeter. The absorption point accuracy can be evaluated using the half-power diameter (HPD), which is a commonly used parameter in X-ray imaging that is defined as the diameter of a circle that can cover exactly 50% of the reconstructed absorption point, taking the true absorption point as the center of the circle. Therefore, a larger HPD indicates a worse reconstruction of the photoelectric absorption point. Figure 10 compares the absorption point accuracies of the moment analysis and hexagonal CNN methods at different energies. The hexagonal CNN method was superior to the moment analysis method, particularly for highly complex photoelectron tracks at high energies.
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Polarization estimation
The polarization reconstruction performance of a polarization estimation algorithm directly affects the sensitivity of the polarimeter. We analyzed the polarization reconstruction performance of the hexagonal CNN method and compared it with those of the moment analysis method and rectangle-based CNN method developed by the IXPE team.
Polarized and unpolarized simulation tracks were generated using PolarLight simulation algorithms for the polarization reconstruction analysis. Similar to the training data, the photoelectric tracks from incomplete energy deposition in the gas of the GPD or from interactions with the detector components outside the gas volume were removed.
The binned modulation curves created using the predicted emission angles for the unpolarized and 100% polarized simulated data are shown in Fig. 11. The residual systematic modulation curve of the hexagonal CNN method was as flat as that of the moment analysis method, indicating that the hexagonal CNN method did not introduce redundant systematic errors. In addition, the hexagonal CNN method recovered significantly more of the modulation of the polarized data compared with the moment analysis method. An unbinned polarization estimation algorithm based on the Stokes parameters was used to estimate the polarization fraction and EVPA from a set of predicted track angles. Figure 12 shows the recovered modulation response on the simulated PolarLight dataset for the moment analysis method, the rectangle-based CNN method developed by the IXPE team, and our hexagonal CNN method. It can be seen that our hexagonal CNN method performed better than the moment analysis method, with 15%–30% improvements in the modulation factor for individual energies.
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Compared to the CNN method developed by the IXPE team based on classical rectangular convolution, our hexagonal CNN method had a similar performance in polarization reconstruction, although the hexagonal convolutional structure of the hexagonal CNN was better matched with hexagonal grid tracks. This may be because the double-channel input track images of the rectangle-based CNN method compensated for the loss during the conversion from hexagonal images to square images, or because the existing neural network method is already close to the upper limit of polarization reconstruction owing to the blurring of the photoelectron tracks, which is difficult to improve with a better CNN architecture.
Our hexagonal CNN method takes a step toward a more straightforward implementation of hexagonal grid track processing. The hexagonal CNN method halves the amount of input data and has lower computational and storage costs during preprocessing because each track image is converted into three single-channel input images for prediction, whereas the rectangle-based CNN method developed by the IXPE team converts an image into three double-channel input images. However, the existing hexagonal convolution is mainly implemented based on rectangular convolution; therefore, the memory consumption of the hexagonal CNN is high, which can be improved using native hexagonal CNN architectures.
Conclusion
We developed a track-reconstruction and polarization-estimation algorithm based on hexagonal CNNs to match the hexagonal grid tracks in a GPD for X-ray polarization measurements. The emission angles, absorption points, and uncertainties in the emission angles of X-ray photoelectron tracks were predicted using the hexagonal CNN method developed in this study. The predicted absorption points were used for image reconstruction, and the predicted emission angles and uncertainties were used to estimate the polarization of the X-ray source. We tested the proposed hexagonal CNN method using simulated PolarLight data. The results showed that the performance of the absorption point reconstruction in an HPD using the hexagonal CNN method was better than that of the moment analysis method, and the modulation factor of the hexagonal CNN method produced improvements of 15%–30% compared to the moment analysis method. The performance of our hexagonal CNN method is comparable to that of the CNN method developed by the IXPE team based on classical rectangular convolution, but it has lower computational and storage costs for preprocessing. Our hexagonal CNN method also provides a good research basis for the development of polarization reconstruction algorithms for eXTP missions.
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