Search Results (17)

The convergence of artificial intelligence (AI) and nanomedicine has transformed cancer vaccine development, particularly in optimizing RNA-loaded lipid nanoparticles (LNPs). Stability and targeted delivery are major obstacles to the clinical translation of promising RNA-LNP vaccines for cancer immunotherapy. This systematic review analyzes the AI’s impact on LNP engineering through machine learning-driven predictive models, generative adversarial networks (GANs) for novel lipid design, and neural network-enhanced biodistribution prediction. AI reduces the therapeutic development timeline through accelerated virtual screening of millions of lipid combinations, compared to conventional high-throughput screening. Furthermore, AI-optimized LNPs demonstrate improved tumor targeting. GAN-generated lipids show structural novelty while maintaining higher encapsulation efficiency; graph neural networks predict RNA-LNP binding affinity with high accuracy vs. experimental data; digital twins reduce lyophilization optimization from years to months; and federated learning models enable multi-institutional data sharing. We propose a framework to address key technical challenges: training data quality (min. 15,000 lipid structures), model interpretability (SHAP > 0.65), and regulatory compliance (21CFR Part 11). AI integration reduces manufacturing costs and makes personalized cancer vaccine affordable. Future directions need to prioritize quantum machine learning for stability prediction and edge computing for real-time formulation modifications. Full article

This research introduces a comprehensive AI-driven framework for secure and efficient load management in multi-station electric vehicle (EV) charging networks, responding to the increasing demand and operational difficulties associated with widespread EV adoption. The suggested architecture has three main parts: a Smart Load Balancer (SLB), an AI-driven intrusion detection system (AIDS), and a Real-Time Analytics Engine (RAE). These parts use advanced machine learning methods like Support Vector Machines (SVMs), autoencoders, and reinforcement learning (RL) to make the system more flexible, secure, and efficient. The framework uses federated learning (FL) to protect data privacy and make decisions in a decentralized way, which lowers the risks that come with centralizing data. The framework makes load distribution 23.5% more efficient, cuts average wait time by 17.8%, and predicts station-level demand with 94.2% accuracy, according to simulation results. The AI-based intrusion detection component has precision, recall, and F1-scores that are all over 97%, which is better than standard methods. The study also finds important gaps in the current literature and suggests new areas for research, such as using graph neural networks (GNNs) and quantum machine learning to make EV charging infrastructures even more scalable, resilient, and intelligent. Full article

This study explores the application of quantum computing in asset management, focusing on the use of the Quantum Approximate Optimization Algorithm (QAOA) to solve specific classes of financial asset recommendation problems. While quantum computing holds promise for combinatorial optimization tasks, its application to portfolio management faces significant challenges in scalability for practical implementations. In this work, we model the problem using a graph representation where nodes represent investors, and edges reflect significant similarities in asset choices. We test the proposed method using quantum simulators, including cuQuantum, Cirq-GPU, and Cirq with IonQ, and compare the performance of quantum optimization against classical brute-force methods. Our results suggest that quantum algorithms may offer computational advantages for certain use cases, though classical heuristics also provide competitive performance for smaller datasets. This study contributes to the ongoing investigation into the potential of quantum computing for real-time financial decision-making, providing insights into both its applicability and limitations in asset management for larger and more complex investor datasets. Full article

Identifying key nodes in networks is a fundamental problem in network science. This study proposes a quantum deep reinforcement learning (QDRL) framework that integrates reinforcement learning with a variational quantum graph neural network, effectively identifying distributed influential nodes while preserving the network’s fundamental topological properties. By leveraging principles of quantum computing, our method is designed to reduce model parameters and computational complexity compared to traditional neural networks. Trained on small networks, it demonstrated strong generalization across diverse scenarios. We compared the proposed algorithm with some classical node ranking and network dismantling algorithms on various synthetical and empirical networks. The results suggest that the proposed algorithm outperforms existing baseline methods. Moreover, in synthetic networks based on Erdős–Rényi and Watts–Strogatz models, QDRL demonstrated its capability to alleviate the issue of localization in network information propagation and node influence ranking. Our research provides insights into addressing fundamental problems in complex networks using quantum machine learning, demonstrating the potential of quantum approaches for network analysis tasks. Full article

Keeping track of air quality is paramount to issue preemptive measures to mitigate adversarial effects on the population. This study introduces a new quantum–classical approach, combining a graph-based deep learning structure with a quantum neural network to predict ozone concentration up to 6 h ahead. The proposed architecture utilized historical data from Houston, Texas, a major urban area that frequently fails to comply with air quality regulations. Our results revealed that a smoother transition between the classical framework and its quantum counterpart enhances the model’s results. Moreover, we observed that combining min–max normalization with increased ansatz repetitions also improved the hybrid model’s performance. This was evident from evaluating the assessment metrics root mean square error (RMSE), coefficient of determination (R²) and forecast skill (FS). Values for R² and FS for the horizons considered were 94.12% and 31.01% for the 1 h, 83.94% and 48.01% for the 3 h, and 75.62% and 57.46% for the 6 h forecasts. A comparison with the existing literature for both classical and QML models revealed that the proposed methodology could provide competitive results, and even surpass some well-established forecasting models, proving to be a valuable resource for air quality forecasting, and thus validating this approach. Full article

Following Einstein’s prediction that “Physics constitutes a logical system of thought” and “Nature is the realization of the simplest conceivable mathematical ideas”, this topical review outlines a formal extension of local realism limited by the speed of light to global realism with bipolar strings (GRBS) that unifies the principle of locality with quantum nonlocality. The related literature is critically reviewed to justify GRBS which is shown as a necessary and inevitable consequence of the Bell test and an equilibrium-based axiomatization of physics and quantum information science for brain–universe similarity and human-level intelligence. With definable causality in regularity and mind–light–matter unity for quantum superposition/entanglement, bipolar universal modus ponens (BUMP) in GRBS makes quantum emergence and submergence of spacetime logically ubiquitous in both the physical and mental worlds—an unexpected but long-sought simplification of quantum gravity with complete background independence. It is shown that GRBS forms a basis for quantum intelligence (QI)—a spacetime transcendent, quantum–digital compatible, analytical quantum computing paradigm where bipolar strings lead to bipolar entropy as a nonlinear bipolar dynamic and set–theoretic unification of order and disorder as well as linearity and nonlinearity for energy/information conservation, regeneration, and degeneration toward quantum cognition and quantum biology (QCQB) as well as information-conservational blackhole keypad compression and big bang data recovery. Subsequently, GRBS is justified as a real-world quantum gravity (RWQG) theory—a bipolar relativistic causal–logical reconceptualization and unification of string theory, loop quantum gravity, and M-theory—the three roads to quantum gravity. Based on GRBS, the following is posited: (1) life is a living bipolar superstring regulated by bipolar entropy; (2) thinking with consciousness and memory growth as a prerequisite for human-level intelligence is fundamentally mind–light–matter unitary QI logically equivalent to quantum emergence (entanglement) and submergence (collapse) of spacetime. These two posits lead to a positive answer to the question “If AI machine cannot think, can QI machine think?”. Causal–logical brain modeling (CLBM) for entangled machine thinking and imagination (EMTI) is proposed and graphically illustrated. The testability and falsifiability of GRBS are discussed. Full article

Machine learning algorithms are heavily relied on to understand the vast amounts of data from high-energy particle collisions at the CERN Large Hadron Collider (LHC). The data from such collision events can naturally be represented with graph structures. Therefore, deep geometric methods, such as graph neural networks (GNNs), have been leveraged for various data analysis tasks in high-energy physics. One typical task is jet tagging, where jets are viewed as point clouds with distinct features and edge connections between their constituent particles. The increasing size and complexity of the LHC particle datasets, as well as the computational models used for their analysis, have greatly motivated the development of alternative fast and efficient computational paradigms such as quantum computation. In addition, to enhance the validity and robustness of deep networks, we can leverage the fundamental symmetries present in the data through the use of invariant inputs and equivariant layers. In this paper, we provide a fair and comprehensive comparison of classical graph neural networks (GNNs) and equivariant graph neural networks (EGNNs) and their quantum counterparts: quantum graph neural networks (QGNNs) and equivariant quantum graph neural networks (EQGNN). The four architectures were benchmarked on a binary classification task to classify the parton-level particle initiating the jet. Based on their area under the curve (AUC) scores, the quantum networks were found to outperform the classical networks. However, seeing the computational advantage of quantum networks in practice may have to wait for the further development of quantum technology and its associated application programming interfaces (APIs). Full article

Topological quantum error-correcting codes are an important tool for realizing fault-tolerant quantum computers. Heavy hexagonal coding is a new class of quantum error-correcting coding that assigns physical and auxiliary qubits to the vertices and edges of a low-degree graph. The layout of heavy hexagonal codes is particularly suitable for superconducting qubit architectures to reduce frequency conflicts and crosstalk. Although various topological code decoders have been proposed, constructing the optimal decoder remains challenging. Machine learning is an effective decoding scheme for topological codes, and in this paper, we propose a machine learning heavy hexagonal decoder based on a convolutional neural network (CNN) to obtain the decoding threshold. We test our method on heavy hexagonal codes with code distance of three, five, and seven, and increase it to five, seven, and nine by optimizing the RestNet network architecture. Our results show that the decoder thresholding accuracies are about 0.57% and 0.65%, respectively, which are about 25% higher than the conventional decoding scheme under the depolarizing noise model. The proposed decoding architecture is also applicable to other topological code families. Full article

This paper introduces assignment flows for density matrices as state spaces for representation and analysis of data associated with vertices of an underlying weighted graph. Determining an assignment flow by geometric integration of the defining dynamical system causes an interaction of the non-commuting states across the graph, and the assignment of a pure (rank-one) state to each vertex after convergence. Adopting the Riemannian–Bogoliubov–Kubo–Mori metric from information geometry leads to closed-form local expressions that can be computed efficiently and implemented in a fine-grained parallel manner. Restriction to the submanifold of commuting density matrices recovers the assignment flows for categorical probability distributions, which merely assign labels from a finite set to each data point. As shown for these flows in our prior work, the novel class of quantum state assignment flows can also be characterized as Riemannian gradient flows with respect to a non-local, non-convex potential after proper reparameterization and under mild conditions on the underlying weight function. This weight function generates the parameters of the layers of a neural network corresponding to and generated by each step of the geometric integration scheme. Numerical results indicate and illustrate the potential of the novel approach for data representation and analysis, including the representation of correlations of data across the graph by entanglement and tensorization. Full article

Inspired by classical graph neural networks, we discuss a novel quantum graph neural network (QGNN) model to predict the chemical and physical properties of molecules and materials. QGNNs were investigated to predict the energy gap between the highest occupied and lowest unoccupied molecular orbitals of small organic molecules. The models utilize the equivariantly diagonalizable unitary quantum graph circuit (EDU-QGC) framework to allow discrete link features and minimize quantum circuit embedding. The results show QGNNs can achieve lower test loss compared to classical models if a similar number of trainable variables are used, and converge faster in training. This paper also provides a review of classical graph neural network models for materials research and various QGNNs. Full article

The main goal of machine learning is the creation of self-learning algorithms in many areas of human activity. It allows a replacement of a person with artificial intelligence in seeking to expand production. The theory of artificial neural networks, which have already replaced humans in many problems, remains the most well-utilized branch of machine learning. Thus, one must select appropriate neural network architectures, data processing, and advanced applied mathematics tools. A common challenge for these networks is achieving the highest accuracy in a short time. This problem is solved by modifying networks and improving data pre-processing, where accuracy increases along with training time. Bt using optimization methods, one can improve the accuracy without increasing the time. In this review, we consider all existing optimization algorithms that meet in neural networks. We present modifications of optimization algorithms of the first, second, and information-geometric order, which are related to information geometry for Fisher–Rao and Bregman metrics. These optimizers have significantly influenced the development of neural networks through geometric and probabilistic tools. We present applications of all the given optimization algorithms, considering the types of neural networks. After that, we show ways to develop optimization algorithms in further research using modern neural networks. Fractional order, bilevel, and gradient-free optimizers can replace classical gradient-based optimizers. Such approaches are induced in graph, spiking, complex-valued, quantum, and wavelet neural networks. Besides pattern recognition, time series prediction, and object detection, there are many other applications in machine learning: quantum computations, partial differential, and integrodifferential equations, and stochastic processes. Full article

Cancer is one of the leading causes of death worldwide. It is caused by various genetic mutations, which makes every instance of the disease unique. Since chemotherapy can have extremely severe side effects, each patient requires a personalized treatment plan. Finding the dosages that maximize the beneficial effects of the drugs and minimize their adverse side effects is vital. Deep neural networks automate and improve drug selection. However, they require a lot of data to be trained on. Therefore, there is a need for machine-learning approaches that require less data. Hybrid quantum neural networks were shown to provide a potential advantage in problems where training data availability is limited. We propose a novel hybrid quantum neural network for drug response prediction based on a combination of convolutional, graph convolutional, and deep quantum neural layers of 8 qubits with 363 layers. We test our model on the reduced Genomics of Drug Sensitivity in Cancer dataset and show that the hybrid quantum model outperforms its classical analog by 15% in predicting ${\mathrm{IC}}_{50}$ drug effectiveness values. The proposed hybrid quantum machine learning model is a step towards deep quantum data-efficient algorithms with thousands of quantum gates for solving problems in personalized medicine, where data collection is a challenge. Full article

Aldehyde oxidase (AOX) plays an important role in drug metabolism. Human AOX (hAOX) is widely distributed in the body, and there are some differences between species. Currently, animal models cannot accurately predict the metabolism of hAOX. Therefore, more and more in silico models have been constructed for the prediction of the hAOX metabolism. These models are based on molecular docking and quantum chemistry theory, which are time-consuming and difficult to automate. Therefore, in this study, we compared traditional machine learning methods, graph convolutional neural network methods, and sequence-based methods with limited data, and proposed a ligand-based model for the metabolism prediction catalyzed by hAOX. Compared with the published models, our model achieved better performance (ACC = 0.91, F1 = 0.77). What’s more, we built a web server to predict the sites of metabolism (SOMs) for hAOX. In summary, this study provides a convenient and automatable model and builds a web server named Meta-hAOX for accelerating the drug design and optimization stage. Full article

This paper describes a practical approach to the quantum theory using the simulation and processing technology available today. The proposed project allows us to create an exploration graph so that for an initial starting configuration of the qubits, all possible states are created given a set of gates selected by the user. For each node in the graph, we can obtain various types of information such as the applied gates from the initial state (the transition route), necessary cost, representation of the quantum circuit, as well as the amplitudes of each state. The project is designed not as an end goal, but rather as a processing platform that allows users to visualize and explore diverse solutions for different quantum problems in a much easier manner. We then describe some potential applications of this project in other research fields, illustrating the way in which the states from the graph can be used as nodes in a new interpretation of a quantum neural network; the steps of a hybrid processing chain are presented for the problem of finding one or more states that verify certain conditions. These concepts can also be used in academia, with their implementation being possible with the help of the Python programming language, the NumPy library, and Qiskit—the open-source quantum framework developed by IBM. Full article

In The cognitive-emotional brain, Pessoa overlooks continuum effects on nonlinear brain network connectivity by eschewing neural field theories and physiologically derived constructs representative of neuronal plasticity. The absence of this content, which is so very important for understanding the dynamic structure-function embedding and partitioning of brains, diminishes the rich competitive and cooperative nature of neural networks and trivializes Pessoa’s arguments, and similar arguments by other authors, on the phylogenetic and operational significance of an optimally integrated brain filled with variable-strength neural connections. Riemannian neuromanifolds, containing limit-imposing metaplastic Hebbian- and antiHebbian-type control variables, simulate scalable network behavior that is difficult to capture from the simpler graph-theoretic analysis preferred by Pessoa and other neuroscientists. Field theories suggest the partitioning and performance benefits of embedded cognitive-emotional networks that optimally evolve between exotic classical and quantum computational phases, where matrix singularities and condensations produce degenerate structure-function homogeneities unrealistic of healthy brains. Some network partitioning, as opposed to unconstrained embeddedness, is thus required for effective execution of cognitive-emotional network functions and, in our new era of neuroscience, should be considered a critical aspect of proper brain organization and operation. Full article