Atomistic simulation of olefin polymerization reaction by organometallic catalyst: significant role of microscopic structural dynamics of (pyridylamido) Hf(IV) complex in catalytic... by Kentaro Matsumoto, Nana Misawa, Shuhei Kanesato, Masataka Nagaoka, Masataka Nagaoka, Masataka Nagaoka, Masataka Nagaoka

“…Utilizing the molecular dynamics method and our Red Moon method, a novel methodology we have developed for atomistic simulation of complex chemical reaction systems, we elucidate how the dynamic features, including anion coordination and steric interaction, govern the reactivity in key steps such as ligand modification and propagation reactions. In addition, we demonstrate how machine learning techniques can be applied to extract chemically meaningful descriptors from the structural ensemble obtained from atomistic simulation data of complex chemical reaction systems, thereby identifying the substituents that play an important role in propagation reactions. …”
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Comparative analysis of NTRUEncrypt modified post-quantum cryptographic system and standard RSA cryptosystem by P. V. Razumov, I. A. Smirnov, I. A. Pilipenko, A. V. Selyova, L. V. Cherkesova

“…The NTRUEncrypt cryptographic system, the calculation of the algorithmic complexity of the development of the NTRUEncrypt cryptosystem and its modifications are considered. The study objectives are to develop NTRUEncrypt, an efficient post-quantum cryptographic algorithm, which has high cryptographic resistance to quantum computer attacks, to work out a modification of the proposed algorithm, to analyze and experimentally validate its advantages.Materials and Methods. …”
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YOLO-MECD: Citrus Detection Algorithm Based on YOLOv11 by Yue Liao, Lerong Li, Huiqiang Xiao, Feijian Xu, Bochen Shan, Hua Yin

“…Notably, our research reveals that reducing convolution operations in the backbone architecture substantially enhances small object detection capabilities and significantly decreases model parameters, proving more effective than the addition of small object detection heads. The experimental results and comparative analysis with similar network models indicate that the YOLO-MECD model has achieved significant improvements in both detection performance and computational efficiency. …”
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SITA: Predicting site-specific immunogenicity for therapeutic antibodies by Yewei Cun, Hao Ding, Tiantian Mao, Yuan Wang, Caicui Wang, Jiajun Li, Zihao Li, Mengdie Hu, Zhiwei Cao, Tianyi Qiu

“…More importantly, analysis of an additional 25 therapeutic antibodies revealed that over 70% of them were detected with decreased immunogenicity after modification compared to their parent variants. …”
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Modified Semi-Lagrangian Godunov-Type Method Without Numerical Viscosity for Shocks by Valeriy Nikonov

“…This paper describes a modification of the semi-Lagrangian Godunov-type method, which was proposed by the author in the previously published paper. …”
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Role of the <i>Egr2</i> Promoter Antisense RNA in Modulating the Schwann Cell Chromatin Landscape by Margot Martinez Moreno, David Karambizi, Hyeyeon Hwang, Kristen Fregoso, Madison J. Michles, Eduardo Fajardo, Andras Fiser, Nikos Tapinos

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LFN-YOLO: precision underwater small object detection via a lightweight reparameterized approach by Mingxin Liu, Mingxin Liu, Yujie Wu, Ruixin Li, Cong Lin, Cong Lin

“…Then, we replaced the standard depthwise convolution in the feature extraction network with SPD-Conv, which includes an additional pooling layer to mitigate detail loss. This modification effectively enhances the detection performance for small objects. …”
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Human Brain-Inspired Network Using Transformer and Feedback Processing for Cell Image Segmentation by Hinako Mitsuoka, Kazuhiro Hotta

“…Unlike hybrid models that require additional CNN components, this module improves segmentation accuracy while maintaining lower computational costs. …”
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Transcriptome-wide identification and analysis reveals m6A regulation of metabolic reprogramming in shrimp (Marsupenaeus japonicus) under virus infection by Xumei Sun, Yu-Lei Chen, Fan Xin, Siyuan Zhang

“…Combined analysis showed a positive correlation between m6A methylation levels and mRNA expression levels. In addition, computational predictions of protein-protein interaction indicated that genes with altered levels of m6A methylation and mRNA expression clustered in metabolism, DNA replication, and protein ubiquitination. …”
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FTA-Net: Frequency-Temporal-Aware Network for Remote Sensing Change Detection by Taojun Zhu, Zikai Zhao, Min Xia, Junqing Huang, Liguo Weng, Kai Hu, Haifeng Lin, Wenyu Zhao

“…In addition, a supervised learning module is constructed to reweight features to efficiently aggregate multilevel features from high-level to low-level. …”
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SARE: an optimized method for detection functional regulatory elements in genome by Mohammadjavad Hosseinpoor

“…Future studies should focus on expanding the application of SARE to diverse organisms, tissues, and cell types, as well as integrating complementary datasets such as chromatin accessibility and histone modification maps to further validate its findings. Additionally, benchmarking against machine learning-based approaches will establish its position as a robust tool in genomic research.…”
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Efficient Crystal Plasticity Modeling of Lath Martensite Considering Block Boundary Effects by Sally Issa, Håkan Hallberg, Mathias Wallin, Matti Ristinmaa

“…It is shown that this can be achieved by minor modifications to a conventional crystal plasticity model, providing an efficient modeling approach with a negligible additional computational cost. …”
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Preserving privacy and video quality through remote physiological signal removal by Saksham Bhutani, Mohamed Elgendi, Carlo Menon

“…Eleven lightweight modification methods, including blurring operations, additive noises, and time-averaging techniques, were evaluated using five different rPPG techniques across four activities: rest, talking, head rotation, and gym. …”
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Synthetic Biology – Friend or Foe? What Kind of Threats Should We Expect? by J. Lakota

“…Basic tools and techniques of synthetic biology are: DNA synthesis and DNA sequencing; «chassis», i.e. host system harboring the genetic toolbox for expression of the desired genes, delivered by suitable vectors, of the engineered biological pathway; engineering of transcription systems that do not deplete the resources of the cell (synthetic promotors and transcription factors); genome modification tools (CRISPR/Cas9 nuclease, zinc finger nucleases, TALE nucleases, meganucleases); computer-aided tools (involved in basic structural design and synthesis; in network design; in prediction of behavior/function/response). …”
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Evaluating the impact of the Bolsa Familia conditional cash transfer program on premature cardiovascular and all-cause mortality using the 100 million Brazilian cohort: a natural e... by Mauricio L Barreto, Alastair H Leyland, Liam Smeeth, Srinivasa Vittal Katikireddi, Peter Craig, Mirjam Allik, Estela M L Aquino, Sanni Ali, Julia M Pescarini, Leila Amorim

“…The deidentified dataset will be provided to researchers, and data analysis will be performed in a safe computational environment without internet access. Study findings will be published in high quality peer-reviewed research articles. …”
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New horizons in microbial fuel cell technology: applications, challenges, and prospects by Tikam Chand Dakal, Nitesh Singh, Amandeep Kaur, Prabhsangam Kaur Dhillon, Janvi Bhatankar, Ramovatar Meena, Rakesh Kumar Sharma, B. R. Gadi, Bikram Sen Sahu, Asmita Patel, Buddha Singh, Kajal Kumari

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Optimal Design of Short Fiber Bragg Grating Using Bat Algorithm With Adaptive Position Update by Ahmed Al-Muraeb, Hoda Abdel-Aty-Zohdy

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Development of a high-order global dynamical core using the discontinuous Galerkin method for an atmospheric large-eddy simulation (LES) and proposal of test cases: SCALE-DG v0.8.0 by Y. Kawai, H. Tomita, H. Tomita

“…To show high-order numerical convergence, a few modifications were made in the experimental setup of existing test cases. …”
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Utilizing weak graph for edge consolidation-based efficient enhancement of network robustness by Wei Ding, Zhengdan Wang

“…Solving speed is increased by up to 5 orders of magnitude, while only incurring an additional cost of approximately 3%. In large-scale graphs with one million nodes, under the same computational time, it can cut down on the consolidation cost by nearly 60% compared to existing algorithms, and the consolidation precision remains consistently high across different graph instances.…”
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Transferable polychromatic optical encoder for neural networks by Minho Choi, Jinlin Xiang, Anna Wirth-Singh, Seung-Hwan Baek, Eli Shlizerman, Arka Majumdar

“…In addition, our analog optical encoder, trained for CIFAR-10 data, can be transferred to the ImageNet subset, High-10, without any modifications, and still exhibits moderate accuracy. …”
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