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21 pages, 5671 KiB  
Article
Anterior Cruciate Ligament Tear Detection Based on T-Distribution Slice Attention Framework with Penalty Weight Loss Optimisation
by Weiqiang Liu and Yunfeng Wu
Bioengineering 2024, 11(9), 880; https://doi.org/10.3390/bioengineering11090880 - 30 Aug 2024
Viewed by 505
Abstract
Anterior cruciate ligament (ACL) plays an important role in stabilising the knee joint, prevents excessive anterior translation of the tibia, and provides rotational stability. ACL injuries commonly occur as a result of rapid deceleration, sudden change in direction, or direct impact to the [...] Read more.
Anterior cruciate ligament (ACL) plays an important role in stabilising the knee joint, prevents excessive anterior translation of the tibia, and provides rotational stability. ACL injuries commonly occur as a result of rapid deceleration, sudden change in direction, or direct impact to the knee during sports activities. Although several deep learning techniques have recently been applied in the detection of ACL tears, challenges such as effective slice filtering and the nuanced relationship between varying tear grades still remain underexplored. This study used an advanced deep learning model that integrated a T-distribution-based slice attention filtering mechanism with a penalty weight loss function to improve the performance for detection of ACL tears. A T-distribution slice attention module was effectively utilised to develop a robust slice filtering system of the deep learning model. By incorporating class relationships and substituting the conventional cross-entropy loss with a penalty weight loss function, the classification accuracy of our model is markedly increased. The combination of slice filtering and penalty weight loss shows significant improvements in diagnostic performance across six different backbone networks. In particular, the VGG-Slice-Weight model provided an area score of 0.9590 under the receiver operating characteristic curve (AUC). The deep learning framework used in this study offers an effective diagnostic tool that supports better ACL injury detection in clinical diagnosis practice. Full article
(This article belongs to the Section Biosignal Processing)
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Graphical abstract

Graphical abstract
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<p>Anatomical structure of a knee joint.</p>
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<p>The framework of the deep learning model incorporating the slice attention module and penalty weight loss function.</p>
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<p>An example of direct (marked in red), indirect (marked in yellow), and potential indirect (marked in green) signs of knee joint injuries of Patient No. 0652 in the MRNet dataset.</p>
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<p>A framework of T-distribution slice attention module.</p>
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<p>Demonstration of calculations with the penalty weight loss function, in comparison with the cross-entropy loss function.</p>
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<p>Growth in accuracy results of the deep learning backbone networks: ResNet, DenseNet, VGG, GoogleNet, MobileNet, and EfficientNet.</p>
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<p>ROC graphic plots of the ResNet, DenseNet, VGG, GoogleNet, MobileNet, and EfficientNet deep learning backbone networks.</p>
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<p>Heatmap illustrations of ResNet, ResNet-Slice, ResNet-Weight, and ResNet-Slice-Weight on the MRNet dataset.</p>
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12 pages, 904 KiB  
Article
On the Stabilizing Effect of Aspartate and Glutamate and Its Counteraction by Common Denaturants
by Guido Izzi, Marco Campanile, Pompea Del Vecchio and Giuseppe Graziano
Int. J. Mol. Sci. 2024, 25(17), 9360; https://doi.org/10.3390/ijms25179360 - 29 Aug 2024
Viewed by 285
Abstract
By performing differential scanning calorimetry(DSC) measurements on RNase A, we studied the stabilization provided by the addition of potassium aspartate(KAsp) or potassium glutamate (KGlu) and found that it leads to a significant increase in the denaturation temperature of the protein. The stabilization proves [...] Read more.
By performing differential scanning calorimetry(DSC) measurements on RNase A, we studied the stabilization provided by the addition of potassium aspartate(KAsp) or potassium glutamate (KGlu) and found that it leads to a significant increase in the denaturation temperature of the protein. The stabilization proves to be mainly entropic in origin. A counteraction of the stabilization provided by KAsp or KGlu is obtained by adding common denaturants such as urea, guanidinium chloride, or guanidinium thiocyanate. A rationalization of the experimental data is devised on the basis of a theoretical approach developed by one of the authors. The main contribution to the conformational stability of globular proteins comes from the gain in translational entropy of water and co-solute ions and/or molecules for the decrease in solvent-excluded volume associated with polypeptide folding (i.e., there is a large decrease in solvent-accessible surface area). The magnitude of this entropic contribution increases with the number density and volume packing density of the solution. The two destabilizing contributions come from the conformational entropy of the chain, which should not depend significantly on the presence of co-solutes, and from the direct energetic interactions between co-solutes and the protein surface in both the native and denatured states. It is the magnitude of the latter that discriminates between stabilizing and destabilizing agents. Full article
(This article belongs to the Special Issue Protein Unfolding Induced by Chemical Agents)
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Figure 1

Figure 1
<p>DSC profiles of RNAse A in 10 mM MOPS + 100 mM NaCl buffer, pH 7.0, in the absence and presence of KAsp (panel <b>A</b>) or KGlu (panel <b>B</b>) at the indicated concentrations.</p>
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<p>DSC profiles of RNAse A in aqueous buffer, 1 M urea, 1 M KAsp plus 1 M urea, and 1 M KGlu plus 1 M urea (panel <b>A</b>); DSC profiles of RNAse A in aqueous buffer, 1 M GdmCl, 1 M KAsp plus 1 M GdmCl, and 1 M KGlu plus 1 M GdmCl (panel <b>B</b>); DSC profiles of RNAse A in aqueous buffer, 0.5 M GdmSCN, 1 M KAsp plus 0.5 M GdmSCN, and 1 M KGlu plus 0.5 M GdmSCN (panel <b>C</b>).</p>
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9 pages, 255 KiB  
Article
A van der Waals Model of Solvation Thermodynamics
by Attila Tortorella and Giuseppe Graziano
Entropy 2024, 26(8), 714; https://doi.org/10.3390/e26080714 - 22 Aug 2024
Viewed by 282
Abstract
Exploiting the van der Waals model of liquids, it is possible to derive analytical formulas for the thermodynamic functions governing solvation, the transfer of a solute molecule from a fixed position in the ideal gas phase to a fixed position in the liquid [...] Read more.
Exploiting the van der Waals model of liquids, it is possible to derive analytical formulas for the thermodynamic functions governing solvation, the transfer of a solute molecule from a fixed position in the ideal gas phase to a fixed position in the liquid phase. The solvation Gibbs free energy change consists of two contributions: (a) the high number density of all liquids and the repulsive interactions due to the basic fact that each molecule has its own body leading to the need to spend free energy to produce an appropriate cavity to contain the solute molecule; (b) the ubiquitous intermolecular attractive interactions lead to a gain in free energy for switching-on attractions between the solute molecule and neighboring liquid molecules. Also the solvation entropy change consists of two contributions: (a) there is an entropy loss in all liquids because the cavity presence limits the space accessible to liquid molecules during their continuous translations; (b) there is an entropy gain in all liquids, at room temperature, due to the liquid structural reorganization as a response to the perturbation represented by solute addition. The latter entropy contribution is balanced by a corresponding enthalpy term. The scenario that emerged from the van der Waals model is in qualitative agreement with experimental results. Full article
(This article belongs to the Special Issue Solvation Thermodynamics and Its Applications)
11 pages, 2328 KiB  
Article
Comparative Analysis of Repeatability in CT Radiomics and Dosiomics Features under Image Perturbation: A Study in Cervical Cancer Patients
by Zongrui Ma, Jiang Zhang, Xi Liu, Xinzhi Teng, Yu-Hua Huang, Xile Zhang, Jun Li, Yuxi Pan, Jiachen Sun, Yanjing Dong, Tian Li, Lawrence Wing Chi Chan, Amy Tien Yee Chang, Steven Wai Kwan Siu, Andy Lai-Yin Cheung, Ruijie Yang and Jing Cai
Cancers 2024, 16(16), 2872; https://doi.org/10.3390/cancers16162872 - 18 Aug 2024
Viewed by 512
Abstract
This study aims to evaluate the repeatability of radiomics and dosiomics features via image perturbation of patients with cervical cancer. A total of 304 cervical cancer patients with planning CT images and dose maps were retrospectively included. Random translation, rotation, and contour randomization [...] Read more.
This study aims to evaluate the repeatability of radiomics and dosiomics features via image perturbation of patients with cervical cancer. A total of 304 cervical cancer patients with planning CT images and dose maps were retrospectively included. Random translation, rotation, and contour randomization were applied to CT images and dose maps before radiomics feature extraction. The repeatability of radiomics and dosiomics features was assessed using intra-class correlation of coefficient (ICC). Pearson correlation coefficient (r) was adopted to quantify the correlation between the image characteristics and feature repeatability. In general, the repeatability of dosiomics features was lower compared with CT radiomics features, especially after small-sigma Laplacian-of-Gaussian (LoG) and wavelet filtering. More repeatable features (ICC > 0.9) were observed when extracted from the original, Large-sigma LoG filtered, and LLL-/LLH-wavelet filtered images. Positive correlations were found between image entropy and high-repeatable feature number in both CT and dose (r = 0.56, 0.68). Radiomics features showed higher repeatability compared to dosiomics features. These findings highlight the potential of radiomics features for robust quantitative imaging analysis in cervical cancer patients, while suggesting the need for further refinement of dosiomics approaches to enhance their repeatability. Full article
(This article belongs to the Special Issue Radiomics and Imaging in Cancer Analysis)
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Figure 1

Figure 1
<p>The first row shows random displacement fields (white arrows) in CTV, bladder, rectum, and LFemoral and two randomized contours for the four ROIs (red: original contour, light green: randomized contour) overlayed with the CT image. The second row shows four different randomized contours with different colored lines in addition to the original contour (red line).</p>
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<p>The original, Laplacian-of-Gaussian (LoG) filtered (sigma = 1 and 5 mm), and wavelet (LLL, HHH) filtered images of CT and dose maps within CTV, bladder, rectum, and LFemoral of one example patient. All the images were preprocessed by a 32-bin-number gray level discretization with the final pixel values ranging from 0 to 31. A jet colormap was used to present the voxel values with blue colors for smaller values and red colors for larger values.</p>
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<p>Continuous intraclass correlation coefficient (ICC) comparisons between CT radiomics and dosiomics features on CTV, bladder, rectum, LFemoral, and RFemoral. The mean ICC values averaged on each image filter (left column) and feature class (right column) were plotted as purple (CT) and green (dose) dots with bars indicating the standard deviation. In general, higher mean ICCs were achieved by the CT radiomics compared to dosiomics. Original, large sigma LoG filters, and low-pass wavelet filters resulted in higher mean ICCs compared to other image filters. Rather consistent ICCs were found for different feature classes.</p>
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<p>Comparisons of radiomic feature repeatability between CT and planning dose, binarized by the ICC threshold of 0.9. High consistencies can be mostly observed on rectum, LFemoral, and RFemoral for RFs extracted from the original, large sigma (≥3) LoG filtered, and wavelet filtered images/dose maps. Different feature classes demonstrated high consistencies regardless of the ROIs analyzed.</p>
Full article ">Figure 5
<p>Correlations of mean entropy, uniformity, and variance of preprocessed images with average ICC values of radiomics features at different image filters and ROIs. The Pearson correlation coefficient r and its <span class="html-italic">p</span>-value were given on each plot.</p>
Full article ">
26 pages, 11859 KiB  
Article
A Novel Joint Motion Compensation Algorithm for ISAR Imaging Based on Entropy Minimization
by Jishun Li, Yasheng Zhang, Canbin Yin, Can Xu, Pengju Li and Jun He
Sensors 2024, 24(13), 4332; https://doi.org/10.3390/s24134332 - 3 Jul 2024
Viewed by 771
Abstract
Space targets move in orbit at a very high speed, so in order to obtain high-quality imaging, high-speed motion compensation (HSMC) and translational motion compensation (TMC) are required. HSMC and TMC are usually adjacent, and the residual error of HSMC will reduce the [...] Read more.
Space targets move in orbit at a very high speed, so in order to obtain high-quality imaging, high-speed motion compensation (HSMC) and translational motion compensation (TMC) are required. HSMC and TMC are usually adjacent, and the residual error of HSMC will reduce the accuracy of TMC. At the same time, under the condition of low signal-to-noise ratio (SNR), the accuracy of HSMC and TMC will also decrease, which brings challenges to high-quality ISAR imaging. Therefore, this paper proposes a joint ISAR motion compensation algorithm based on entropy minimization under low-SNR conditions. Firstly, the motion of the space target is analyzed, and the echo signal model is obtained. Then, the motion of the space target is modeled as a high-order polynomial, and a parameterized joint compensation model of high-speed motion and translational motion is established. Finally, taking the image entropy after joint motion compensation as the objective function, the red-tailed hawk–Nelder–Mead (RTH-NM) algorithm is used to estimate the target motion parameters, and the joint compensation is carried out. The experimental results of simulation data and real data verify the effectiveness and robustness of the proposed algorithm. Full article
(This article belongs to the Section Sensing and Imaging)
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Figure 1

Figure 1
<p>Observation geometry for space target.</p>
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<p>Range cell offset analysis with different factors. (<b>a</b>) Variation in <math display="inline"><semantics> <mrow> <mo>Δ</mo> <msub> <mi>R</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> <mn>1</mn> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mrow> <msub> <mi>R</mi> <mo>Δ</mo> </msub> </mrow> </semantics></math> under different <math display="inline"><semantics> <mi>V</mi> </semantics></math>. (<b>b</b>) Variation in <math display="inline"><semantics> <mrow> <mo>Δ</mo> <msub> <mi>R</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> <mn>2</mn> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mrow> <msub> <mi>f</mi> <mi>c</mi> </msub> </mrow> </semantics></math> under different <math display="inline"><semantics> <mi>V</mi> </semantics></math>. (<b>c</b>) Variation in <math display="inline"><semantics> <mrow> <mo>Δ</mo> <msub> <mi>R</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> <mn>1</mn> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mi>V</mi> </semantics></math> under different <math display="inline"><semantics> <mrow> <msub> <mi>R</mi> <mo>Δ</mo> </msub> </mrow> </semantics></math>. (<b>d</b>) Variation in <math display="inline"><semantics> <mrow> <mo>Δ</mo> <msub> <mi>R</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> <mn>2</mn> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mi>V</mi> </semantics></math> under different <math display="inline"><semantics> <mrow> <msub> <mi>f</mi> <mi>c</mi> </msub> </mrow> </semantics></math>. (<b>e</b>) Variation in <math display="inline"><semantics> <mrow> <msub> <mi>η</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mrow> <msub> <mi>f</mi> <mi>c</mi> </msub> </mrow> </semantics></math> under different <math display="inline"><semantics> <mrow> <msub> <mi>R</mi> <mo>Δ</mo> </msub> </mrow> </semantics></math>. (<b>f</b>) Variation in <math display="inline"><semantics> <mrow> <msub> <mi>η</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mrow> <msub> <mi>R</mi> <mo>Δ</mo> </msub> </mrow> </semantics></math> under different <math display="inline"><semantics> <mrow> <msub> <mi>f</mi> <mi>c</mi> </msub> </mrow> </semantics></math>.</p>
Full article ">Figure 2 Cont.
<p>Range cell offset analysis with different factors. (<b>a</b>) Variation in <math display="inline"><semantics> <mrow> <mo>Δ</mo> <msub> <mi>R</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> <mn>1</mn> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mrow> <msub> <mi>R</mi> <mo>Δ</mo> </msub> </mrow> </semantics></math> under different <math display="inline"><semantics> <mi>V</mi> </semantics></math>. (<b>b</b>) Variation in <math display="inline"><semantics> <mrow> <mo>Δ</mo> <msub> <mi>R</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> <mn>2</mn> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mrow> <msub> <mi>f</mi> <mi>c</mi> </msub> </mrow> </semantics></math> under different <math display="inline"><semantics> <mi>V</mi> </semantics></math>. (<b>c</b>) Variation in <math display="inline"><semantics> <mrow> <mo>Δ</mo> <msub> <mi>R</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> <mn>1</mn> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mi>V</mi> </semantics></math> under different <math display="inline"><semantics> <mrow> <msub> <mi>R</mi> <mo>Δ</mo> </msub> </mrow> </semantics></math>. (<b>d</b>) Variation in <math display="inline"><semantics> <mrow> <mo>Δ</mo> <msub> <mi>R</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> <mn>2</mn> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mi>V</mi> </semantics></math> under different <math display="inline"><semantics> <mrow> <msub> <mi>f</mi> <mi>c</mi> </msub> </mrow> </semantics></math>. (<b>e</b>) Variation in <math display="inline"><semantics> <mrow> <msub> <mi>η</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mrow> <msub> <mi>f</mi> <mi>c</mi> </msub> </mrow> </semantics></math> under different <math display="inline"><semantics> <mrow> <msub> <mi>R</mi> <mo>Δ</mo> </msub> </mrow> </semantics></math>. (<b>f</b>) Variation in <math display="inline"><semantics> <mrow> <msub> <mi>η</mi> <mrow> <mi>c</mi> <mi>e</mi> <mi>l</mi> <mi>l</mi> </mrow> </msub> </mrow> </semantics></math> with <math display="inline"><semantics> <mrow> <msub> <mi>R</mi> <mo>Δ</mo> </msub> </mrow> </semantics></math> under different <math display="inline"><semantics> <mrow> <msub> <mi>f</mi> <mi>c</mi> </msub> </mrow> </semantics></math>.</p>
Full article ">Figure 3
<p>Flowchart of joint motion compensation algorithm based on the RTH-NM algorithm.</p>
Full article ">Figure 4
<p>TG-1 Model and its ISAR imaging results. (<b>a</b>) The CAD model of TG-1 satellite. (<b>b</b>) Real ISAR image. (<b>c</b>) EM simulation ISAR image.</p>
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<p>ISAR imaging scene configuration.</p>
Full article ">Figure 6
<p>Variations in radial distance and radial velocity within each imaging aperture. (<b>a</b>) Variation in the radial distance. (<b>b</b>) Variation in the radial velocity.</p>
Full article ">Figure 7
<p>Ideal ISAR images for different imaging apertures. (<b>a</b>) Aperture 1; (<b>b</b>) Aperture 2; (<b>c</b>) Aperture 3; (<b>d</b>) Aperture 4.</p>
Full article ">Figure 8
<p>Imaging results of TG-I electromagnetic simulation data under different motion conditions. (<b>a</b>–<b>d</b>) Imaging results by different algorithms of aperture 1; (<b>e</b>–<b>h</b>) imaging results by different algorithms of aperture 2; (<b>i</b>–<b>l</b>) imaging results by different algorithms of aperture 3; and (<b>m</b>–<b>p</b>) imaging results by different algorithms of aperture 4.</p>
Full article ">Figure 9
<p>Ideal ISAR images under different SNRs. (<b>a</b>) SNR = 0 dB; (<b>b</b>) SNR = −5 dB; (<b>c</b>) SNR = −9 dB; (<b>d</b>) SNR = −13 dB.</p>
Full article ">Figure 10
<p>Imaging results of TG-I electromagnetic simulation data under different SNRs. (<b>a</b>–<b>d</b>) ISAR imaging results obtained by different algorithms, SNR = 0 dB; (<b>e</b>–<b>h</b>) ISAR imaging results obtained by different algorithms, SNR = −5 dB; (<b>i</b>–<b>l</b>) ISAR imaging results obtained by different algorithms, SNR = −9 dB; and (<b>m</b>–<b>p</b>) ISAR imaging results obtained by different algorithms, SNR = −13 dB.</p>
Full article ">Figure 11
<p>Optical image and ideal ISAR imaging of Yak-42 airplane. (<b>a</b>) Optical image; (<b>b</b>) ISAR image.</p>
Full article ">Figure 12
<p>Imaging results of Yak-42 measured data under different motion conditions. (<b>a</b>–<b>d</b>) Imaging results by different algorithms of aperture 1; (<b>e</b>–<b>h</b>) imaging results by different algorithms of aperture 2; (<b>i</b>–<b>l</b>) imaging results by different algorithms of aperture 3; and (<b>m</b>–<b>p</b>) imaging results by different algorithms of aperture 4.</p>
Full article ">Figure 12 Cont.
<p>Imaging results of Yak-42 measured data under different motion conditions. (<b>a</b>–<b>d</b>) Imaging results by different algorithms of aperture 1; (<b>e</b>–<b>h</b>) imaging results by different algorithms of aperture 2; (<b>i</b>–<b>l</b>) imaging results by different algorithms of aperture 3; and (<b>m</b>–<b>p</b>) imaging results by different algorithms of aperture 4.</p>
Full article ">Figure 13
<p>Ideal ISAR images under different SNRs. (<b>a</b>) SNR = 0 dB; (<b>b</b>) SNR = −3 dB; (<b>c</b>) SNR = −6 dB; (<b>d</b>) SNR = −10 dB.</p>
Full article ">Figure 14
<p>Imaging results of Yak-42 measured data under different SNRs. (<b>a</b>–<b>d</b>) ISAR imaging results obtained by different algorithms, SNR = 0 dB; (<b>e</b>–<b>h</b>) ISAR imaging results obtained by different algorithms, SNR = −3 dB; (<b>i</b>–<b>l</b>) ISAR imaging results obtained by different algorithms, SNR = −6 dB; and (<b>m</b>–<b>p</b>) ISAR imaging results obtained by different algorithms, SNR = −10 dB.</p>
Full article ">
38 pages, 513 KiB  
Review
Thermodynamics and Decay of de Sitter Vacuum
by Grigory E. Volovik
Symmetry 2024, 16(6), 763; https://doi.org/10.3390/sym16060763 - 18 Jun 2024
Cited by 3 | Viewed by 947
Abstract
We discuss the consequences of the unique symmetry of de Sitter spacetime. This symmetry leads to the specific thermodynamic properties of the de Sitter vacuum, which produces a thermal bath for matter. de Sitter spacetime is invariant under the modified translations, [...] Read more.
We discuss the consequences of the unique symmetry of de Sitter spacetime. This symmetry leads to the specific thermodynamic properties of the de Sitter vacuum, which produces a thermal bath for matter. de Sitter spacetime is invariant under the modified translations, rreHta, where H is the Hubble parameter. For H0, this symmetry corresponds to the conventional invariance of Minkowski spacetime under translations rra. Due to this symmetry, all the comoving observers at any point of the de Sitter space perceive the de Sitter environment as the thermal bath with temperature T=H/π, which is twice as large as the Gibbons–Hawking temperature of the cosmological horizon. This temperature does not violate de Sitter symmetry and, thus, does not require the preferred reference frame, as distinct from the thermal state of matter, which violates de Sitter symmetry. This leads to the heat exchange between gravity and matter and to the instability of the de Sitter state towards the creation of matter, its further heating, and finally the decay of the de Sitter state. The temperature T=H/π determines different processes in the de Sitter environment that are not possible in the Minkowski vacuum, such as the process of ionization of an atom in the de Sitter environment. This temperature also determines the local entropy of the de Sitter vacuum state, and this allows us to calculate the total entropy of the volume inside the cosmological horizon. The result reproduces the Gibbons–Hawking area law, which is attributed to the cosmological horizon, Shor=4πKA, where K=1/(16πG). This supports the holographic properties of the cosmological event horizon. We extend the consideration of the local thermodynamics of the de Sitter state using the f(R) gravity. In this thermodynamics, the Ricci scalar curvature R and the effective gravitational coupling K are thermodynamically conjugate variables. The holographic connection between the bulk entropy of the Hubble volume and the surface entropy of the cosmological horizon remains the same but with the gravitational coupling K=df/dR. Such a connection takes place only in the 3+1 spacetime, where there is a special symmetry due to which the variables K and R have the same dimensionality. We also consider the lessons from de Sitter symmetry for the thermodynamics of black and white holes. Full article
(This article belongs to the Special Issue Symmetry/Asymmetry: Feature Review Papers 2024)
12 pages, 1619 KiB  
Article
Gibbs Free Energy and Enthalpy–Entropy Compensation in Protein–Ligand Interactions
by Juan S. Jiménez and María J. Benítez
Biophysica 2024, 4(2), 298-309; https://doi.org/10.3390/biophysica4020021 - 14 Jun 2024
Viewed by 744
Abstract
The thermodynamics of protein–ligand interactions seems to be associated with a narrow range of Gibbs free energy. As a consequence, a linear enthalpy–entropy relationship showing an apparent enthalpy–entropy compensation (EEC) is frequently associated with protein–ligand interactions. When looking for the most negative values [...] Read more.
The thermodynamics of protein–ligand interactions seems to be associated with a narrow range of Gibbs free energy. As a consequence, a linear enthalpy–entropy relationship showing an apparent enthalpy–entropy compensation (EEC) is frequently associated with protein–ligand interactions. When looking for the most negative values of ∆H to gain affinity, the entropy compensation gives rise to a barely noticeable increase in affinity, therefore negatively affecting the design and discovery of new and more efficient drugs capable of binding protein targets with a higher affinity. Originally attributed to experimental errors, compensation between ∆H and T∆S values is an observable fact, although its molecular origin has remained obscure and controversial. The thermodynamic parameters of a protein–ligand interaction can be interpreted in terms of the changes in molecular weak interactions as well as in vibrational, rotational, and translational energy levels. However, a molecular explanation to an EEC rendering a linear enthalpy–entropy relationship is still lacking. Herein, we show the results of a data search of ∆G values of 3025 protein–ligand interactions and 2558 “in vivo” ligand concentrations from the Protein Data Bank database and the Metabolome Database (2020). These results suggest that the EEC may be plausibly explained as a consequence of the narrow range of ∆G associated with protein–ligand interactions. The Gaussian distribution of the ∆G values matches very well with that of ligands. These results suggest the hypothesis that the set of ∆G values for the protein–ligand interactions is the result of the evolution of proteins. The conformation versatility of present proteins and the exchange of thousands (even millions) of minute amounts of energy with the environment may have functioned as a homeostatic mechanism to make the ∆G of proteins adaptive to changes in the availability of ligands and therefore achieve the maximum regulatory capacity of the protein function. Finally, plausible strategies to avoid the EEC consequences are suggested. Full article
(This article belongs to the Special Issue State-of-the-Art Biophysics in Spain 2.0)
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Figure 1

Figure 1
<p>Enthalpy–entropy (<b>A</b>) and enthalpy–free energy (<b>B</b>) correlations for some protein–ligand interactions.</p>
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<p>Normal distribution for affinities of protein–ligand interactions expressed as DG° (kJ/mol). The data were obtained from the 2020 version of the Protein Data Bank Database. The survey of data correspond to the period 2010–2020 and included 3025 values.</p>
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<p>The fractional protein saturation, Y, as a function of LOG [L]/Kd. Following Equation (6), [L] stands for the ligand concentration and Kd (Kd = L<sub>0.5</sub>) stands for the dissociation constant of the protein–ligand complex.</p>
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<p>Normal distribution for human metabolites. The set of data was obtained from the Metabolome Database (2020) and contains 2558 elements from human fluids, including blood, saliva, cerebrospinal fluid, breast milk, and amniotic fluid. All the data were expressed as chemical potential, according to the expression DG° = −RT LN 1/[L].</p>
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<p>Gaussian curves for protein–ligand affinities and chemical potential for ligands. Both curves correspond to those shown in <a href="#biophysica-04-00021-f002" class="html-fig">Figure 2</a> and <a href="#biophysica-04-00021-f004" class="html-fig">Figure 4</a>. Light curve, protein–ligand affinities, DG° = −RT LN 1/Kd. Dark curve, Chemical Potential for Ligand concentrations, −RT LN 1/[L].</p>
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16 pages, 6498 KiB  
Article
Dynamic Weighting Translation Transfer Learning for Imbalanced Medical Image Classification
by Chenglin Yu and Hailong Pei
Entropy 2024, 26(5), 400; https://doi.org/10.3390/e26050400 - 1 May 2024
Viewed by 1089
Abstract
Medical image diagnosis using deep learning has shown significant promise in clinical medicine. However, it often encounters two major difficulties in real-world applications: (1) domain shift, which invalidates the trained model on new datasets, and (2) class imbalance problems leading to model biases [...] Read more.
Medical image diagnosis using deep learning has shown significant promise in clinical medicine. However, it often encounters two major difficulties in real-world applications: (1) domain shift, which invalidates the trained model on new datasets, and (2) class imbalance problems leading to model biases towards majority classes. To address these challenges, this paper proposes a transfer learning solution, named Dynamic Weighting Translation Transfer Learning (DTTL), for imbalanced medical image classification. The approach is grounded in information and entropy theory and comprises three modules: Cross-domain Discriminability Adaptation (CDA), Dynamic Domain Translation (DDT), and Balanced Target Learning (BTL). CDA connects discriminative feature learning between source and target domains using a synthetic discriminability loss and a domain-invariant feature learning loss. The DDT unit develops a dynamic translation process for imbalanced classes between two domains, utilizing a confidence-based selection approach to select the most useful synthesized images to create a pseudo-labeled balanced target domain. Finally, the BTL unit performs supervised learning on the reassembled target set to obtain the final diagnostic model. This paper delves into maximizing the entropy of class distributions, while simultaneously minimizing the cross-entropy between the source and target domains to reduce domain discrepancies. By incorporating entropy concepts into our framework, our method not only significantly enhances medical image classification in practical settings but also innovates the application of entropy and information theory within deep learning and medical image processing realms. Extensive experiments demonstrate that DTTL achieves the best performance compared to existing state-of-the-art methods for imbalanced medical image classification tasks. Full article
(This article belongs to the Section Signal and Data Analysis)
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<p>The research task of our unsupervised representation learning framework.</p>
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<p>The scheme of the proposed Dynamic Weighting Translation Transfer Learning (DTTL).</p>
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<p>The ROC curve of DTTL model based on EfficientNet on Child X-ray dataset, (<b>a</b>) full data and (<b>b</b>) 10% data.</p>
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<p>Validation results; -/o CDA represents DTTL removing CDA module; -/o CMT represents DTTL removing CMT module.</p>
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14 pages, 3233 KiB  
Article
Reversible Surface Energy Storage in Molecular-Scale Porous Materials
by Dusan Bratko
Molecules 2024, 29(3), 664; https://doi.org/10.3390/molecules29030664 - 31 Jan 2024
Viewed by 792
Abstract
Forcible wetting of hydrophobic pores represents a viable method for energy storage in the form of interfacial energy. The energy used to fill the pores can be recovered as pressure–volume work upon decompression. For efficient recovery, the expulsion pressure should not be significantly [...] Read more.
Forcible wetting of hydrophobic pores represents a viable method for energy storage in the form of interfacial energy. The energy used to fill the pores can be recovered as pressure–volume work upon decompression. For efficient recovery, the expulsion pressure should not be significantly lower than the pressure required for infiltration. Hysteresis of the wetting/drying cycle associated with the kinetic barrier to liquid expulsion results in energy dissipation and reduced storage efficiency. In the present work, we use open ensemble (Grand Canonical) Monte Carlo simulations to study the improvement of energy recovery with decreasing diameters of planar pores. Near-complete reversibility is achieved at pore widths barely accommodating a monolayer of the liquid, thus minimizing the area of the liquid/gas interface during the cavitation process. At the same time, these conditions lead to a steep increase in the infiltration pressure required to overcome steric wall/water repulsion in a tight confinement and a considerable reduction in the translational entropy of confined molecules. In principle, similar effects can be expected when increasing the size of the liquid particles without altering the absorbent porosity. While the latter approach is easier to follow in laboratory work, we discuss the advantages of reducing the pore diameter, which reduces the cycling hysteresis while simultaneously improving the stored-energy density in the material. Full article
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<p>Simulated pressures of bulk water as a function of the input pressures used in predicting the excess chemical potentials for the GCMC simulations. The snapshot shows oxygen and hydrogen atoms in red and white, respectively.</p>
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<p>A schematic representation of a (yz) cross-section of a simulation box with a volume of L<sub>x</sub> × L<sub>y</sub> × h in an equilibrated, water-filled state (<b>top</b>), and the same system after the box is elongated by a factor of 2 in the Y direction. The height h is shown in the vertical direction, and the Y-axis points in the horizontal direction. The snapshot shows oxygen and hydrogen atoms in red and white, respectively (<b>bottom</b>). The cross-section of the box increased to L<sub>x</sub> × 2L<sub>y</sub> × h with an extra volume of L<sub>x</sub> × L<sub>y</sub> × h containing no water molecules. The contiguity of the original water configuration is maintained through periodic replication. Continued open ensemble simulations at P<sub>b</sub> &gt; P<sub>in</sub> lead to gradual filling of the entire box, whereas the system undergoes a barrier-free evacuation if P<sub>b</sub> &lt; P<sub>in</sub>.</p>
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<p>Lateral pressures P<sub>||</sub> in liquid-filled planar confinements with periodic box sizes of 25 Å × 25 Å × 10 Å (black) and 25 Å × 25 Å × 8 Å (green) from GCMC simulations for the decompression branch of the filling–expulsion cycle as functions of bulk pressure P<sub>b</sub>. The value of P<sub>b</sub> leading to vanishing P<sub>||</sub> corresponds to the intrusion pressure P<sub>in</sub> at a given pore width: 1.36 ± 0.04 kbar at 10 Å and 2.37 ± 0.03 kbar at 8 Å.</p>
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<p>The average number of molecules corresponding to a periodic box of size 25 Å × 25 Å × h in GCMC simulations as a function of the bulk pressure P<sub>b</sub> for pore widths h = 10, 8, 6, or 5 Å is determined in a sequence of runs for increasing (solid lines) and decreasing bulk pressures. Abrupt changes correspond to liquid intrusion (solid lines) and expulsion (dashed lines) events taking place at pressures P<sub>in</sub> and P<sub>ex</sub>, respectively. Hysteresis manifested as the relative difference between intrusion and expulsion pressures, <math display="inline"><semantics> <mrow> <mi>η</mi> <mo>=</mo> </mrow> </semantics></math> (P<sub>in</sub> − P<sub>ex</sub>)/P<sub>ex</sub>, shows a rapid decrease with decreasing width of the pores. The intrusion branch data, obtained in boxes of size 25 Å × 50 Å × h, are prorated to the smaller box size used in the expulsion branch calculations.</p>
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<p>Simulated intrusion (blue circles) and extrusion (red squares) pressures as functions of pore width h from GCMC runs illustrated in <a href="#molecules-29-00664-f004" class="html-fig">Figure 4</a>. The dashed blue line follows the continuum level prediction <math display="inline"><semantics> <mrow> <msub> <mrow> <mi>P</mi> </mrow> <mrow> <mi>i</mi> <mi>n</mi> </mrow> </msub> <mfenced separators="|"> <mrow> <mi>h</mi> </mrow> </mfenced> <mo>≅</mo> <msub> <mrow> <mi>P</mi> </mrow> <mrow> <mi>i</mi> <mi>n</mi> </mrow> </msub> <mfenced separators="|"> <mrow> <mn>5</mn> <mi>Å</mi> </mrow> </mfenced> <mfrac> <mrow> <mn>5</mn> <mi>Å</mi> <mo>−</mo> <msub> <mrow> <mi>σ</mi> </mrow> <mrow> <mi>C</mi> <msub> <mrow> <mi>H</mi> </mrow> <mrow> <mi>n</mi> </mrow> </msub> </mrow> </msub> </mrow> <mrow> <mi>h</mi> <mo>−</mo> <msub> <mrow> <mi>σ</mi> </mrow> <mrow> <mi>C</mi> <msub> <mrow> <mi>H</mi> </mrow> <mrow> <mi>n</mi> </mrow> </msub> </mrow> </msub> </mrow> </mfrac> </mrow> </semantics></math>, which is close to the simulation data but underestimates the slope at very small widths. The extrusion pressures (red squares) are generally lower than the intrusion ones. The relative difference, which reflects the extent of hysteresis, becomes insignificant at pore widths barely accommodating a monolayer of water.</p>
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<p>Distribution functions g(z) of water oxygen in simulation boxes of the volume 25 Å × 25 Å × h for pore diameters h = 10 Å (black), 8 Å (green), 6 Å (blue), and 5 Å (red) from GCMC simulations at bulk pressures P<sub>b</sub> equal to the intrusion pressures P<sub>in</sub>(h) for each of the widths. The maxima of g(z) in comparatively loose pores with h = 10 Å or h = 8 Å are observed approximately 3 Å or 2.6 Å from the walls, respectively. These separations correspond to attractive water–wall interactions (Equation (1)). In narrower pores with h = 5 or 6 Å, water molecules are restricted to a narrow region close to the pore midplane, characterized by a weakly repulsive combined interaction of water molecules with both confining walls. Pore wetting at these conditions requires high external pressures (<a href="#molecules-29-00664-f005" class="html-fig">Figure 5</a>), while easier expulsion reduces the hysteresis of intrusion/expulsion cycles, as shown in <a href="#molecules-29-00664-f004" class="html-fig">Figure 4</a> and <a href="#molecules-29-00664-f005" class="html-fig">Figure 5</a>.</p>
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<p>Maximal recovery of stored energy, determined by the ratio of expulsion and intrusion pressures, <math display="inline"><semantics> <mrow> <mi>η</mi> <mo>=</mo> </mrow> </semantics></math> P<sub>ex</sub>/P<sub>in</sub>, approaches unity upon the narrowing of the pores. Vanishing <math display="inline"><semantics> <mrow> <mi>η</mi> </mrow> </semantics></math>, on the other hand, corresponds to situations with long-lived metastable liquid persisting in the pores at arbitrarily low pressures P<sub>b</sub>.</p>
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<p>Interaction of a water molecule with both hydrophilic walls as a function of position inside the pores of widths h = 10 Å (black), 8 Å (green), 6 Å (blue), and 5 Å (red). The most favorable distance from either wall is about 2.97 Å, while the interaction turns repulsive at a wall–water distance below ~2.46 Å. At wall–wall separation h = 6 Å (blue line), the molecules can achieve optimal interactions with both walls. In the narrow 5 Å pore (red line), however, the maximal possible distance from the nearer wall is 2.5 Å, allowing only near-neutral or repulsive combined water–wall interactions.</p>
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20 pages, 1703 KiB  
Article
Weight Optimization Decision Algorithm in (p,q)-Rung Probabilistic Hesitant Orthopair Fuzzy Environments
by Jinyan Bao and Xiangzhi Kong
Symmetry 2023, 15(11), 2043; https://doi.org/10.3390/sym15112043 - 10 Nov 2023
Viewed by 971
Abstract
Aiming at the fuzzification of a decision environment and the challenge of determining the weights associated with the interaction among decision-makers, this study offers an original method for (p,q)-rung probabilistic hesitant orthopair fuzzy multi-objective group decision-making, which is founded [...] Read more.
Aiming at the fuzzification of a decision environment and the challenge of determining the weights associated with the interaction among decision-makers, this study offers an original method for (p,q)-rung probabilistic hesitant orthopair fuzzy multi-objective group decision-making, which is founded on the weight optimization principle. Firstly, the notion of a probabilistic hesitant fuzzy set is expanded to a (p,q)-rung. Secondly, the determination of subjective and objective weights is accomplished through the utilization of the Analytic Network Process (ANP) and the Entropy Method. According to the degree of deviation and dispersion of each weight, an optimal objective function is constructed, and the neural network is used to iteratively solve for the best scheme of the comprehensive weight. Subsequently, the Elimination Et Choice Translating Reality (ELECTRE) approach was refined and applied to decision-making in the (p,q)-rung probabilistic hesitant orthopair fuzzy environment. Finally, comparative analysis was used to demonstrate the new method’s effectiveness and superiority. Full article
(This article belongs to the Section Mathematics)
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<p>Flowchart of the algorithm.</p>
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<p>Different <span class="html-italic">p</span> values correspond to the results of each scheme, shown in diagram form.</p>
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<p>Different <span class="html-italic">q</span> values correspond to the results of each scheme, shown in diagram form.</p>
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<p>Comparing the algorithm with the decision-making results of the above literature [<a href="#B22-symmetry-15-02043" class="html-bibr">22</a>,<a href="#B26-symmetry-15-02043" class="html-bibr">26</a>,<a href="#B27-symmetry-15-02043" class="html-bibr">27</a>].</p>
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21 pages, 8627 KiB  
Article
An Efficient Inverse Synthetic Aperture Imaging Approach for Non-Cooperative Space Targets under Low-Signal-to-Noise-Ratio Conditions
by Zhijun Yang, Chengxiang Zhang, Dujuan Liang and Xin Xie
Electronics 2023, 12(21), 4527; https://doi.org/10.3390/electronics12214527 - 3 Nov 2023
Cited by 1 | Viewed by 824
Abstract
Due to the non-cooperative characteristics of space targets with complex motion, it is difficult to obtain high-quality inverse synthetic aperture (ISAR) images using conventional imaging approaches, posing a new challenge when designing novel approaches, especially under low-signal-to-noise-ratio (SNR) conditions. To overcome the obstacle [...] Read more.
Due to the non-cooperative characteristics of space targets with complex motion, it is difficult to obtain high-quality inverse synthetic aperture (ISAR) images using conventional imaging approaches, posing a new challenge when designing novel approaches, especially under low-signal-to-noise-ratio (SNR) conditions. To overcome the obstacle above, in this work, an efficient ISAR imaging approach based on high-order synchrosqueezing transform and modified multi-scale retinex (HSTMMSR) is proposed. First, the geometry and signal model of non-cooperative space targets with complex motion are established. Second, the echoes in each range bin are modeled as multi-component polynomial phase signals (MCPPSs) after correcting the translational migration and migration through range cells (MTRCs). Additionally, the time–frequency analysis (TFA) method based on HoSST is utilized to generate the time–frequency signal along with the azimuth dimension, where the coarse ISAR image is obtained with the quality indicator, e.g., image entropy, followed by the MMSR method to enhance the result. Both the simulated and measured data experiments validate the effectiveness and robustness of the proposed method. Full article
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<p>General geometry model for a ship target with complex motion.</p>
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<p>Flowchart of the proposed method.</p>
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<p>Time–frequency diagram of mixed signals. (<b>a</b>) Time domain characteristics of mixed signals. (<b>b</b>) Instantaneous frequency characteristics of mixed signals. (<b>c</b>) WVD method. (<b>d</b>) STFT method. (<b>e</b>) SST method. (<b>f</b>) HoSST method.</p>
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<p>Space target scatter model of ISAR imaging.</p>
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<p>RD-method ISAR imaging results: (<b>a</b>) SNR = 5 dB; (<b>b</b>) SNR = –5 dB.</p>
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<p>WVD-method ISAR imaging results: (<b>a</b>) SNR = 5 dB; (<b>b</b>) SNR = –5 dB.</p>
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<p>STFT-method ISAR imaging results: (<b>a</b>) SNR = 5 dB; (<b>b</b>) SNR = –5 dB.</p>
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<p>SST-method ISAR imaging results: (<b>a</b>) SNR = 5 dB; (<b>b</b>) SNR = –5 dB.</p>
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<p>The ISAR imaging results obtained using the proposed method: (<b>a</b>) SNR = 5 dB; (<b>b</b>) SNR = –5 dB.</p>
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<p>Performance comparison. (<b>a</b>) Image entropy results of different imaging methods versus SNR. (<b>b</b>) Image contrast of different imaging methods versus SNR.</p>
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<p>Computational complexity of different methods against SNR.</p>
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<p>ISAR imaging results with the RD, WVD, STFT, and SST methods and the proposed method in the three cases.</p>
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<p>ISAR imaging results with the RD, WVD, STFT, and SST methods and the proposed method in the three cases.</p>
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<p>RAV, RAA, and RAR under different coherence processing intervals.</p>
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<p>Imaging results of different methods against velocity. (<b>a</b>) RD method. (<b>b</b>) WVD method. (<b>c</b>) STFT method. (<b>d</b>) SST method. (<b>e</b>) Proposed method.</p>
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<p>Shadowing and not shadowing time.</p>
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<p>Imaging results of different methods under shadowing condition. (<b>a</b>) RD method. (<b>b</b>) WVD method. (<b>c</b>) STFT method. (<b>d</b>) SST method. (<b>e</b>) Proposed method.</p>
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<p>The image results of B727. (<b>a</b>) ISAR image based on RD. (<b>b</b>) ISAR image based on WVD. (<b>c</b>) ISAR image based on SPWVD. (<b>d</b>) ISAR image based on STFT. (<b>e</b>) ISAR image based on SST. (<b>f</b>) ISAR image based on HOSST.</p>
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13 pages, 703 KiB  
Article
Double Consistency Regularization for Transformer Networks
by Yuxian Wan, Wenlin Zhang and Zhen Li
Electronics 2023, 12(20), 4357; https://doi.org/10.3390/electronics12204357 - 20 Oct 2023
Cited by 1 | Viewed by 1149
Abstract
The large-scale and deep-layer deep neural network based on the Transformer model is very powerful in sequence tasks, but it is prone to overfitting for small-scale training data. Moreover, the prediction result of the model with a small disturbance input is significantly lower [...] Read more.
The large-scale and deep-layer deep neural network based on the Transformer model is very powerful in sequence tasks, but it is prone to overfitting for small-scale training data. Moreover, the prediction result of the model with a small disturbance input is significantly lower than that without disturbance. In this work, we propose a double consistency regularization (DOCR) method for the end-to-end model structure, which separately constrains the output of the encoder and decoder during the training process to alleviate the above problems. Specifically, on the basis of the cross-entropy loss function, we build the mean model by integrating the model parameters of the previous rounds and measure the consistency between the models by calculating the KL divergence between the features of the encoder output and the probability distribution of the decoder output of the mean model and the base model so as to impose regularization constraints on the solution space of the model. We conducted extensive experiments on machine translation tasks, and the results show that the BLEU score increased by 2.60 on average, demonstrating the effectiveness of DOCR in improving model performance and its complementary impacts with other regularization techniques. Full article
(This article belongs to the Topic Artificial Intelligence Models, Tools and Applications)
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<p>Illustration of the double consistency regularization. KL Div. represents KL divergence. The framework inputs the same vector into the base model and the mean model. The two models have the same structure but different parameters. The mean model is updated using the exponential moving average (EMA) of the base model parameters, while the base model is updated via parameter backpropagation.The KL divergence between the output of two model encoders and decoders is calculated to constrain the model solution space.The final training objective is the sum of the three loss values in the figure.</p>
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<p>Illustration of the four functions: sigmoid, cosine, linear, and Equation (<a href="#FD8-electronics-12-04357" class="html-disp-formula">8</a>) (<math display="inline"><semantics> <mi>μ</mi> </semantics></math> = 0.5 and <math display="inline"><semantics> <mi>γ</mi> </semantics></math> = 40).</p>
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<p>BLEU scores with different <math display="inline"><semantics> <mi>μ</mi> </semantics></math> and different <math display="inline"><semantics> <mi>γ</mi> </semantics></math> on the validation set of IWSLT’14 De-En dataset. (<b>a</b>) BLEU scores with different <math display="inline"><semantics> <mi>μ</mi> </semantics></math> and fixed <math display="inline"><semantics> <mi>γ</mi> </semantics></math> (<math display="inline"><semantics> <mi>γ</mi> </semantics></math> = 40). (<b>b</b>) BLEU scores with different <math display="inline"><semantics> <mi>γ</mi> </semantics></math> and fixed <math display="inline"><semantics> <mi>μ</mi> </semantics></math> (<math display="inline"><semantics> <mi>μ</mi> </semantics></math> = 0.5).</p>
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21 pages, 6142 KiB  
Article
Linking Satellite, Land Capability, and Socio-Economic Data for Local-Level Climate-Change-Adaptive Capacity Assessments and Decision Support
by Martin Munashe Chari, Leocadia Zhou and Hamisai Hamandawana
Sustainability 2023, 15(17), 13120; https://doi.org/10.3390/su151713120 - 31 Aug 2023
Viewed by 1031
Abstract
Climate change is now one of the most formidable threats to the livelihoods of resource-poor communities in low-income developing countries world-wide. Addressing this challenge continues to be undermined by the conspicuous absence of actionable adaptation strategies that are potentially capable of enhancing our [...] Read more.
Climate change is now one of the most formidable threats to the livelihoods of resource-poor communities in low-income developing countries world-wide. Addressing this challenge continues to be undermined by the conspicuous absence of actionable adaptation strategies that are potentially capable of enhancing our capacities to realize the Millennial Sustainable Development Goals that seek to securitize access to adequate food supplies for everybody. This paper attempts to address this limitation by providing an improvised geostatistical methodology that integrates multi-source data to map the adaptive capacities of vulnerable communities in a selected South African local municipality, whose livelihoods are largely dependent on rain-fed agriculture. The development of this methodology was based on the use scripts that were compiled in Python and used to test-try its usefulness through a case-study-based assessment of the climate-change-adaptive capacities of local communities in Raymond Mhlaba Local Municipality (RMLM), Eastern Cape Province, South Africa. A Bayesian maximum entropy framework-based technique was used to overcome the lack of missing soil moisture data, which we included because of its reliable usefulness as a surrogate indicator of climate-change-driven variations in this variable on the sustainability of rain-fed agriculture. Analysis of the results from a sampling universe of 124 communities revealed that 65 and 56 of them had high and medium adaptive capacities, respectively, with the remaining 3 having low adaptive capacities. This finding indicates that more than half of the communities in the municipality’s communities have limited capabilities to cope with climate change’s impacts on their livelihoods. Although our proposed methodology is premised on findings from a case-study-based investigation, it is still extremely useful because it demonstratively shows that there is tremendous scope for the scientific community to provide objectively informed insights that can be used to enhance the adaptive capacities of those in need of the badly needed but difficult-to-access information. Added to this is the fact that our proposed methodology is not only applicable for use under different environmental settings but also capable of allowing us to cost-effectively tap into the rich, wide-ranging, freely accessible datasets at our disposal. The aim of this submission is to show that although we have the information, we need to address these persevering challenges by exploring innovative approaches to translate the knowledge we have into actionable climate-change-adaptation strategies. Full article
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<p>Geographical location of Raymond Mhlaba Local Municipality (RMLM).</p>
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<p>Datasets and steps that were used to assess the adaptive capacities.</p>
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<p>Average intra-annual dry season variations in soil moisture that were deduced from soil moisture distribution maps for years 2014–2017.</p>
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<p>Classified intra-annual dry season variations in soil moisture distributions.</p>
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<p>Spatial distributions of communities and arable/marginal lands in in RMLM.</p>
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<p>Access to water, levels of literacy, and income of communities in RMLM during the years 2001 and 2011.</p>
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<p>Age profiles and adaptive capacities in RMLM in 2001 and 2011.</p>
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<p>Changes in adaptive capacities between 2001 and 2011 based on socioeconomic data.</p>
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<p>Final adaptive capacities of communities based on arable lands, soil moisture information, and socio-economic indicators.</p>
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16 pages, 3927 KiB  
Review
Life’s Mechanism
by Simon Pierce
Life 2023, 13(8), 1750; https://doi.org/10.3390/life13081750 - 15 Aug 2023
Viewed by 1811
Abstract
The multifarious internal workings of organisms are difficult to reconcile with a single feature defining a state of ‘being alive’. Indeed, definitions of life rely on emergent properties (growth, capacity to evolve, agency) only symptomatic of intrinsic functioning. Empirical studies demonstrate that biomolecules [...] Read more.
The multifarious internal workings of organisms are difficult to reconcile with a single feature defining a state of ‘being alive’. Indeed, definitions of life rely on emergent properties (growth, capacity to evolve, agency) only symptomatic of intrinsic functioning. Empirical studies demonstrate that biomolecules including ratcheting or rotating enzymes and ribozymes undergo repetitive conformation state changes driven either directly or indirectly by thermodynamic gradients. They exhibit disparate structures, but govern processes relying on directional physical motion (DNA transcription, translation, cytoskeleton transport) and share the principle of repetitive uniplanar conformation changes driven by thermodynamic gradients, producing dependable unidirectional motion: ‘heat engines’ exploiting thermodynamic disequilibria to perform work. Recognition that disparate biological molecules demonstrate conformation state changes involving directional motion, working in self-regulating networks, allows a mechanistic definition: life is a self-regulating process whereby matter undergoes cyclic, uniplanar conformation state changes that convert thermodynamic disequilibria into directed motion, performing work that locally reduces entropy. ‘Living things’ are structures including an autonomous network of units exploiting thermodynamic gradients to drive uniplanar conformation state changes that perform work. These principles are independent of any specific chemical environment, and can be applied to other biospheres. Full article
(This article belongs to the Section Origin of Life)
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<p>The properties of matter can now be investigated and visualized across a wide range of spatial scales, from macroscopic objects to atoms, promising a mechanistic explanation of living things as material objects. Individual images are credited in descending order by (1). material object (Karl Gaff; ZEISS Microscopy; Electron Microscopy Facility at The National Cancer Institute at Frederick; Guest2625; Y. Roiter, M. Ornatska, A. R. Rammohan, J. Balakrishnan, D. R. Heine, and S. Minko; Kota Iwata; NIST, Joseph Stroscio) and (2). visualization method (Zeiss Microscopy; Zeiss; Oak tree road; AAMonitor96; Rickinasia) and are public domain or published under a Creative Commons Attribution-Share Alike 2.0, 3.0 or 4.0 license at commons.wikimedia.org, accessed on 8 July 2023).</p>
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<p>Simplified representation of how different types of matter respond to the chaotic thermal environment: matter either exhibits (<b>a</b>–<b>c</b>) a banal conformation that moves randomly under thermal agitation and bombardment, dissipating energy, or (<b>d</b>–<b>f</b>) uniplanar conformation changes that convert thermal agitation or excitation into directed motion, as part of an energy directing system that can perform work over time (the representation is inspired by a motor protein ‘walking’ along a microtubule to pull a load). Note that the motive force is Brownian motion (i.e., thermal agitation of the particles themselves but also bombardment by molecules of the surrounding medium; heat engine function must be considered in the context of the medium). For the energy directing system, ATP has an additional role in completing the conformation, affecting the thermodynamic disequilibrium across the particle and preventing backwards motion.</p>
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9 pages, 278 KiB  
Article
Thermodynamic Entropy as a Noether Invariant from Contact Geometry
by Alessandro Bravetti, Miguel Ángel García-Ariza and Diego Tapias
Entropy 2023, 25(7), 1082; https://doi.org/10.3390/e25071082 - 19 Jul 2023
Cited by 4 | Viewed by 1499
Abstract
We use a formulation of Noether’s theorem for contact Hamiltonian systems to derive a relation between the thermodynamic entropy and the Noether invariant associated with time-translational symmetry. In the particular case of thermostatted systems at equilibrium, we show that the total entropy of [...] Read more.
We use a formulation of Noether’s theorem for contact Hamiltonian systems to derive a relation between the thermodynamic entropy and the Noether invariant associated with time-translational symmetry. In the particular case of thermostatted systems at equilibrium, we show that the total entropy of the system plus the reservoir are conserved as a consequence thereof. Our results contribute to understanding thermodynamic entropy from a geometric point of view. Full article
(This article belongs to the Special Issue Geometric Structure of Thermodynamics: Theory and Applications)
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