Search Results (1,001)

Quantum machine learning (QML) has emerged as a promising approach for enhancing image classification by exploiting quantum computational principles such as superposition and entanglement. However, practical applications on complex datasets like CIFAR-100 remain limited due to the low expressivity of shallow circuits and challenges in circuit optimization. In this study, we propose HQCNN–REGA—a novel hybrid quantum–classical convolutional neural network architecture that integrates data re-uploading and genetic algorithm optimization for improved performance. The data re-uploading mechanism allows classical inputs to be encoded multiple times into quantum states, enhancing the model’s capacity to learn complex visual features. In parallel, a genetic algorithm is employed to evolve the quantum circuit architecture by optimizing gate sequences, entanglement patterns, and layer configurations. This combination enables automatic discovery of efficient parameterized quantum circuits without manual tuning. Experiments on the MNIST and CIFAR-100 datasets demonstrate state-of-the-art performance for quantum models, with HQCNN–REGA outperforming existing quantum neural networks and approaching the accuracy of advanced classical architectures. In particular, we compare our model with classical convolutional baselines such as ResNet-18 to validate its effectiveness in real-world image classification tasks. Our results demonstrate the feasibility of scalable, high-performing quantum–classical systems and offer a viable path toward practical deployment of QML in computer vision applications, especially on noisy intermediate-scale quantum (NISQ) hardware. Full article

Financial market forecasting remains challenging due to complex nonlinear dynamics and regime-dependent behaviors that traditional models struggle to capture effectively. This research introduces the Adaptive Financial Reservoir Network with Hypernetwork Flow (AFRN–HyperFlow) framework, a novel ensemble architecture integrating Echo State Networks, temporal convolutional networks, mixture density networks, adaptive Hypernetworks, and deep state-space models for enhanced financial time-series prediction. Through comprehensive feature engineering incorporating technical indicators, spectral decomposition, reservoir-based representations, and flow dynamics characteristics, the framework achieves superior forecasting performance across diverse market conditions. Experimental validation on 26,817 balanced samples demonstrates exceptional results with an F1-score of 0.8947, representing a 12.3% improvement over State-of-the-Art baseline methods, while maintaining robust performance across asset classes from equities to cryptocurrencies. The adaptive Hypernetwork mechanism enables real-time regime-change detection with 2.3 days average lag and 95% accuracy, while systematic SHAP analysis provides comprehensive interpretability essential for regulatory compliance. Ablation studies reveal Echo State Networks contribute 9.47% performance improvement, validating the architectural design. The AFRN–HyperFlow framework addresses critical limitations in uncertainty quantification, regime adaptability, and interpretability, offering promising directions for next-generation financial forecasting systems incorporating quantum computing and federated learning approaches. Full article

The pharmaceutical industry faces significant challenges when promising drug candidates fail during development due to suboptimal ADME (absorption, distribution, metabolism, excretion) properties or toxicity concerns. Natural compounds are subject to the same pharmacokinetic considerations. In silico approaches offer a compelling advantage—they eliminate the need for physical samples and laboratory facilities, while providing rapid and cost-effective alternatives to expensive and time-consuming experimental testing. Computational methods can often effectively address common challenges associated with natural compounds, such as chemical instability and poor solubility. Through a review of the relevant scientific literature, we present a comprehensive analysis of in silico methods and tools used for ADME prediction, specifically examining their application to natural compounds. Whereas we focus on identifying the predominant computational approaches applicable to natural compounds, these tools were developed for conventional drug discovery and are of general use. We examine an array of computational approaches for evaluating natural compounds, including fundamental methods like quantum mechanics calculations, molecular docking, and pharmacophore modeling, as well as more complex techniques such as QSAR analysis, molecular dynamics simulations, and PBPK modeling. Full article

Multivalent lectin–glycan interactions (MLGIs) are vital for viral infection, cell-cell communication and regulation of immune responses. Their structural and biophysical data are thus important, not only for providing insights into their underlying mechanisms but also for designing potent glycoconjugate therapeutics against target MLGIs. However, such information remains to be limited for some important MLGIs, significantly restricting the research progress. We have recently demonstrated that functional nanoparticles, including ∼4 nm quantum dots and varying sized gold nanoparticles (GNPs), densely glycosylated with various natural mono- and oligo- saccharides, are powerful biophysical probes for MLGIs. Using two important viral receptors, DC-SIGN and DC-SIGNR (together denoted as DC-SIGN/R hereafter), as model multimeric lectins, we have shown that α-mannose and α-manno-α-1,2-biose (abbreviated as Man and DiMan, respectively) coated GNPs not only can provide sensitive measurement of MLGI affinities but also reveal critical structural information (e.g., binding site orientation and mode) which are important for MLGI targeting. In this study, we produced mannuronic acid (ManA) coated GNPs (GNP-ManA) of two different sizes to probe the effect of glycan modification on their MLGI affinity and antiviral property. Using our recently developed GNP fluorescence quenching assay, we find that GNP-ManA binds effectively to both DC-SIGN/R and increasing the size of GNP significantly enhances their MLGI affinity. Consistent with this, increasing the GNP size also significantly enhances their ability to block DC-SIGN/R-augmented virus entry into host cells. Particularly, ManA coated 13 nm GNP potently block Ebola virus glycoprotein-driven entry into DC-SIGN/R-expressing cells with sub-nM levels of EC₅₀. Our findings suggest that GNP-ManA probes can act as a useful tool to quantify the characteristics of MLGIs, where increasing the GNP scaffold size substantially enhances their MLGI affinity and antiviral potency. Full article

In this paper, we investigate the memory effects introduced by the time-fractional Schrödinger equation proposed by Naber on quantum entanglement and quantum dense coding under amplitude damping noise. Two formulations are analyzed: one with fractional operations applied to the imaginary unit and one without. Numerical results show that the formulation without fractional operations on the imaginary unit may be more suitable for describing non-Markovian (power-law) behavior in dissipative environments. This finding provides a more physically meaningful interpretation of the memory effects in time-fractional quantum dynamics and indirectly addresses fundamental concerns regarding the violation of unitarity and probability conservation in such frameworks. Our work offers a new perspective for the application of fractional quantum mechanics to realistic open quantum systems and shows promise in supporting the theoretical modeling of decoherence and information degradation. Full article

Fibrate pharmaceuticals (fibrates), as a widespread class of emerging contaminants, pose potential risks to both ecological systems and human health. The photocatalytic system based on nitrogen (N) and fluorine (F) co-doped TiO₂ nanotube arrays (NF-TNAs) provides a renewable solution for fibrate pharmaceutical removal from water, powered by inexhaustible sunlight. In this study, the degradation of two typical fibrates, i.e., bezafibrate (BZF) and ciprofibrate (CPF), under simulated sunlight irradiation through NF-TNAs were investigated. The photocatalytic degradation of BZF/CPF was achieved through combined radical and non-radical oxidation processes, while the generation and reaction mechanisms of associated reactive oxygen species (ROS) were examined. Electron paramagnetic resonance detection and quenching tests confirmed the existence of h⁺, •OH, O₂^•−, and ¹O₂, with O₂^•− playing the predominant role. The transformation products (TPs) of BZF/CPF were identified through high-resolution mass spectrometry analysis combined with quantum chemical calculations to elucidate the degradation pathways. The influence of co-existing ions and typical natural organic matters (NOM) on BZF/CPF degradation were also tested. Eventually, the ecological risk of BZF/CPF transformation products was assessed through quantitative structure–activity relationship (QSAR) modeling, and the results showed that the proposed photocatalytic system can largely alleviate fibrate toxicity. Full article

The mechanism by which voltage-gated ion channels open and close has been the subject of intensive investigation for decades. For a large class of potassium channels and related sodium channels, the consensus has been that the gating current preceding the main ionic current is a large movement of positively charged segments of protein from voltage-sensing domains that are mechanically connected to the gate through linker sections of the protein, thus opening and closing the gate. We have pointed out that this mechanism is based on evidence that has alternate interpretations in which protons move. Very little literature considers the role of water and protons in gating, although water must be present, and there is evidence that protons can move in related channels. It is known that water has properties in confined spaces and at the surface of proteins different from those in bulk water. In addition, there is the possibility of quantum properties that are associated with mobile protons and the hydrogen bonds that must be present in the pore; these are likely to be of major importance in gating. In this review, we consider the evidence that indicates a central role for water and the mobility of protons, as well as alternate ways to interpret the evidence of the standard model in which a segment of protein moves. We discuss evidence that includes the importance of quantum effects and hydrogen bonding in confined spaces. K⁺ must be partially dehydrated as it passes the gate, and a possible mechanism for this is considered; added protons could prevent this mechanism from operating, thus closing the channel. The implications of certain mutations have been unclear, and we offer consistent interpretations for some that are of particular interest. Evidence for proton transport in response to voltage change includes a similarity in sequence to the H_v1 channel; this appears to be conserved in a number of K⁺ channels. We also consider evidence for a switch in -OH side chain orientation in certain key serines and threonines. Full article

In order to design new materials at atomic-length scales, there is a need to connect the fractal nature of fracture surfaces at the atomic scale using quantum mechanics modeling with that of the experimental data of fracture surfaces at macroscopic-length scales. We use a semi-empirical quantum mechanics simulation of fracture in amorphous silica to calculate a parameter identified as a critical characteristic length, $a_0$, which has been experimentally derived from the fractal nature of fracture for many materials that fail in a brittle matter. To our knowledge, there are no known simulation models other than our related research that use the fractal parameter $a_0$ to describe the fractal fracture of the fracture surface using quantum mechanical simulations. We provide evidence that $a_0$ can be calculated at both the atomic and macroscopic scale, making it a fundamental property of the structure and one of the elements of fractal fracture. We use a continuous random network model and reaction coordinate method to simulate fracture. We propose that fracture in amorphous silica occurs due to bond reconfiguration resulting in increased strain volume at the crack tip. We hypothesize two specific configurations leading to fracture from a four-fold ring reconfiguration to three-fold ring or (newly observed) five-fold ring configurations resulting in a change in volume. Finally, we define a reconfiguration fracture energy at the atomic level, which is approximately the value of the experimental fracture surface energy. Full article

The general framework of Entropic Dynamics (ED) is used to construct non-relativistic models of relational Quantum Mechanics from well-known inference principles—probability, entropy and information geometry. Although only partially relational—the absolute structures of simultaneity and Euclidean geometry are still retained—these models provide a useful testing ground for ideas that will prove useful in the context of more realistic relativistic theories. The fact that in ED the positions of particles have definite values, just as in classical mechanics, has allowed us to adapt to the quantum case some intuitions from Barbour and Bertotti’s classical framework. Here, however, we propose a new measure of the mismatch between successive states that is adapted to the information metric and the symplectic structures of the quantum phase space. We make explicit that ED is temporally relational and we construct non-relativistic quantum models that are spatially relational with respect to rigid translations and rotations. The ED approach settles the longstanding question of what form the constraints of a classical theory should take after quantization: the quantum constraints that express relationality are to be imposed on expectation values. To highlight the potential impact of these developments, the non-relativistic quantum model is parametrized into a generally covariant form and we show that the ED approach evades the analogue of what in quantum gravity has been called the problem of time. Full article

The escalating sophistication of cyber threats underscores the critical need for intelligent and adaptive intrusion detection systems (IDSs) to identify known and novel attack vectors in real time. Feature selection is a key enabler of performance in machine learning-based IDSs, as it reduces the input dimensionality, enhances the detection accuracy, and lowers the computational latency. This paper introduces a novel optimization framework called Quantum Epigenetic Algorithm (QEA), which synergistically combines quantum-inspired probabilistic representation with biologically motivated epigenetic gene regulation to perform efficient and adaptive feature selection. The algorithm balances global exploration and local exploitation by leveraging quantum superposition for diverse candidate generation while dynamically adjusting gene expression through an epigenetic activation mechanism. A multi-objective fitness function guides the search process by optimizing the detection accuracy, false positive rate, inference latency, and model compactness. The QEA was evaluated across four benchmark datasets—UNSW-NB15, CIC-IDS2017, CSE-CIC-IDS2018, and TON_IoT—and consistently outperformed baseline methods, including Genetic Algorithm (GA), Particle Swarm Optimization (PSO), and Quantum Genetic Algorithm (QGA). Notably, QEA achieved the highest classification accuracy (up to 97.12%), the lowest false positive rates (as low as 1.68%), and selected significantly fewer features (e.g., 18 on TON_IoT) while maintaining near real-time latency. These results demonstrate the robustness, efficiency, and scalability of QEA for real-time intrusion detection in dynamic and resource-constrained cybersecurity environments. Full article

As industrialization and economic growth accelerate, PM_2.5 pollution has become a critical environmental concern. Predicting PM_2.5 concentration is challenging due to its nonlinear and complex temporal dynamics, limiting the accuracy and robustness of traditional machine learning models. To enhance prediction accuracy, this study focuses on Ma’anshan City, China and proposes a novel hybrid model (QMEWOA-QCAM-BiTCN-BiLSTM) based on an “optimization first, prediction later” approach. Feature selection using Pearson correlation and RFECV reduces model complexity, while the Whale Optimization Algorithm (WOA) optimizes model parameters. To address the local optima and premature convergence issues of WOA, we introduce a quantum-enhanced multi-strategy improved WOA (QMEWOA) for global optimization. A Quantum Causal Attention Mechanism (QCAM) is incorporated, leveraging Quantum State Mapping (QSM) for higher-order feature extraction. The experimental results show that our model achieves a MedAE of 1.997, MAE of 3.173, MAPE of 10.56%, and RMSE of 5.218, outperforming comparison models. Furthermore, generalization experiments confirm its superior performance across diverse datasets, demonstrating its robustness and effectiveness in PM_2.5 concentration prediction. Full article

The multi-factor authentication (MFA) protocol requires users to provide a combination of a password, a smart card and biometric data as verification factors to gain access to the services they need. In a single-server MFA system, users accessing multiple distinct servers must register separately for each server, manage multiple smart cards, and remember numerous passwords. In contrast, an MFA system designed for multi-server architecture allows users to register once at a registration center (RC) and then access all associated servers with a single smart card and one password. MFA with an offline RC addresses the computational bottleneck and single-point failure issues associated with the RC. In this paper, we propose a post-quantum secure MFA protocol for a multi-server architecture with an offline RC. Our MFA protocol utilizes the post-quantum secure Kyber key encapsulation mechanism and an information-theoretically secure fuzzy extractor as its building blocks. We formally prove the post-quantum semantic security of our MFA protocol under the real or random (ROR) model in the random oracle paradigm. Compared to related protocols, our protocol achieves higher efficiency and maintains reasonable communication overhead. Full article

Cancer remains one of the most formidable challenges to human health; hence, developing effective treatments is critical for saving lives. An important strategy involves reactivating tumor suppressor genes, particularly p53, by targeting their negative regulator MDM2, which is essential in promoting cell cycle arrest and apoptosis. Leveraging a drug repurposing approach, we screened over 24,000 clinically tested molecules to identify new MDM2 inhibitors. A key innovation of this work is the development and application of a selective cleaning algorithm that systematically filters assay data to mitigate noise and inconsistencies inherent in large-scale bioactivity datasets. This approach significantly improved the predictive accuracy of our machine learning model for pIC₅₀ values, reducing RMSE by 21.6% and achieving state-of-the-art performance (R² = 0.87)—a substantial improvement over standard data preprocessing pipelines. The optimized model was integrated with structure-based virtual screening via molecular docking to prioritize repurposing candidate compounds. We identified two clinical CB1 antagonists, MePPEP and otenabant, and the statin drug atorvastatin as promising repurposing candidates based on their high predicted potency and binding affinity toward MDM2. Interactions with the related proteins MDM4 and BCL2 suggest these compounds may enhance p53 restoration through multi-target mechanisms. Quantum mechanical (ONIOM) optimizations and molecular dynamics simulations confirmed the stability and favorable interaction profiles of the selected protein–ligand complexes, resembling that of navtemadlin, a known MDM2 inhibitor. This multiscale, accuracy-boosted workflow introduces a novel data-curation strategy that substantially enhances AI model performance and enables efficient drug repurposing against challenging cancer targets. Full article

A modified activated carbon (AC) was developed by modifying with poly(diallyldimethylammonium) chloride (PDADMAC) to enhance its adsorption performance for water treatment applications. Different PDADMAC concentrations were explored and evaluated using methyl red as a model contaminant, with 8 w/v% PDADMAC yielding the best adsorption performance. The kinetics data were well described by the pseudo-first-order equation and homogeneous surface diffusion model. The Freundlich isotherm fit the equilibrium data well, indicating multilayer adsorption and diverse interaction types. The removal efficiency remained similar across a pH range of 5–9 and in the presence of background inorganic (NaCl)/organic compounds (sodium acetate) at different concentrations. Rapid small-scale column tests were performed to simulate continuous flow conditions, and the PDADMAC-modified AC effectively delayed the breakthrough of the contaminant compared to raw AC. Regeneration experiments showed that 0.1 M NaOH with 70% methanol effectively restored the adsorption capacity, retaining 80% of the initial efficiency after five cycles. Quantum chemical analysis revealed that non-covalent interactions, including electrostatic and Van der Waals forces, governed the adsorption mechanism. Overall, the results of this study prove that PDADMAC-AC shows great potential for enhanced organic contaminant removal in water treatment systems. Full article

Provable data possession (PDP) is a technique that enables the verification of data integrity in cloud storage without the need to download the data. PDP schemes are generally categorized into public and private verification. Public verification allows third parties to assess the integrity of outsourced data, offering good openness and flexibility, but it may lead to privacy leakage and security risks. In contrast, private verification restricts the auditing capability to the data owner, providing better privacy protection but often resulting in higher verification costs and operational complexity due to limited local resources. Moreover, most existing PDP schemes are based on classical number-theoretic assumptions, making them vulnerable to quantum attacks. To address these challenges, this paper proposes an identity-based PDP with a designated verifier over lattices, utilizing a specially leveled identity-based fully homomorphic signature (IB-FHS) scheme. We provide a formal security proof of the proposed scheme under the small-integer solution (SIS) and learning with errors (LWE) within the random oracle model. Theoretical analysis confirms that the scheme achieves security guarantees while maintaining practical feasibility. Furthermore, simulation-based experiments show that for a 1 MB file and lattice dimension of n = 128, the computation times for core algorithms such as TagGen, GenProof, and CheckProof are approximately 20.76 s, 13.75 s, and 3.33 s, respectively. Compared to existing lattice-based PDP schemes, the proposed scheme introduces additional overhead due to the designated verifier mechanism; however, it achieves a well-balanced optimization among functionality, security, and efficiency. Full article