Quantum reservoir computing (QRC) has emerged as a promising paradigm for harnessing near-term quantum devices to tackle temporal machine learning tasks. Yet, identifying the mechanisms that underlie enhanced performance remains challenging, particularly in many-body open systems where nonlinear interactions and dissipation intertwine in complex ways. Here, we investigate a minimal model of a driven-dissipative quantum reservoir described by two coupled Kerr-nonlinear oscillators, an experimentally realizable platform that features controllable coupling, intrinsic nonlinearity, and tunable photon loss. Using Partial Information Decomposition (PID), we examine how different dynamical regimes encode input drive signals in terms of (information shared by each oscillator) and (information accessible only through their joint observation). Our key results show that, near a critical point marking a dynamical bifurcation, the system transitions from predominantly redundant to synergistic encoding. We further demonstrate that synergy amplifies short-term responsiveness, thereby enhancing immediate memory retention, whereas strong dissipation leads to more redundant encoding that supports long-term memory retention. These findings elucidate how the interplay of instability and dissipation shapes information processing in small quantum systems, providing a fine-grained, information-theoretic perspective for analyzing and designing QRC platforms.
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Mol Divers
January 2025
Key Laboratory for Macromolecular Science of Shaanxi Province, School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi'an, 710119, People's Republic of China.
Molecular Property Prediction (MPP) is a fundamental task in important research fields such as chemistry, materials, biology, and medicine, where traditional computational chemistry methods based on quantum mechanics often consume substantial time and computing power. In recent years, machine learning has been increasingly used in computational chemistry, in which graph neural networks have shown good performance in molecular property prediction tasks, but they have some limitations in terms of generalizability, interpretability, and certainty. In order to address the above challenges, a Multiscale Molecular Structural Neural Network (MMSNet) is proposed in this paper, which obtains rich multiscale molecular representations through the information fusion between bonded and non-bonded "message passing" structures at the atomic scale and spatial feature information "encoder-decoder" structures at the molecular scale; a multi-level attention mechanism is introduced on the basis of theoretical analysis of molecular mechanics in order to enhance the model's interpretability; the prediction results of MMSNet are used as label values and clustered in the molecular library by the K-NN (K-Nearest Neighbors) algorithm to reverse match the spatial structure of the molecules, and the certainty of the model is quantified by comparing virtual screening results across different K-values.
View Article and Find Full Text PDFPolymers (Basel)
January 2025
Department of Chemistry, Graduate School of Science, Tohoku University, Aramaki, Aoba-ku, Sendai 980-8578, Japan.
Molecular simulations offer valuable insights into thermosetting polymers' microstructures and interactions with small molecules, aiding in the development of advanced materials. In this study, we design two cyanate resin models featuring monomers of different sizes and employ a previously developed method to generate crosslinked structures. We then analyze their crosslinking processes and physicochemical properties.
View Article and Find Full Text PDFMolecules
January 2025
School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, China.
Developing a new type of circularly polarized luminescent active small organic molecule that combines high fluorescence quantum yield and luminescence dissymmetric factor in both solution and solid state is highly challenging but promising. In this context, we designed and synthesized a unique triarylborane-based [2.2]paracyclophane derivative, , in which an electron-accepting [(2-dimesitylboryl)phenyl]ethynyl group and an electron-donating -diphenylamino group are introduced into two different benzene rings of [2.
View Article and Find Full Text PDFSmall
January 2025
Department of Materials Science and Engineering, and Center for Functional Photonics (CFP), City University of Hong Kong, Hong Kong SAR, 999077, P. R. China.
Metal halide perovskite nanoplatelets (NPls) possess ultra-narrow photoluminescence (PL) bands tunable over the entire visible spectral range, which makes them promising for utilization in light-emitting diodes (LEDs) with spectrally pure emission colors. This calls for development of synthetic methods toward perovskite NPls with a high degree of control over both their thickness and lateral dimensions. A general strategy is developed to obtain such monodisperse CsPbI NPls through the control over the halide-to-lead ratio during heating-up reaction.
View Article and Find Full Text PDFEntropy (Basel)
January 2025
Chula Intelligent and Complex Systems Lab, Department of Physics, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand.
Quantum reservoir computing (QRC) has emerged as a promising paradigm for harnessing near-term quantum devices to tackle temporal machine learning tasks. Yet, identifying the mechanisms that underlie enhanced performance remains challenging, particularly in many-body open systems where nonlinear interactions and dissipation intertwine in complex ways. Here, we investigate a minimal model of a driven-dissipative quantum reservoir described by two coupled Kerr-nonlinear oscillators, an experimentally realizable platform that features controllable coupling, intrinsic nonlinearity, and tunable photon loss.
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