Search Results (6)

The common geometrical (symplectic) structures of classical mechanics, quantum mechanics, and classical thermodynamics are unveiled with three pictures. These cardinal theories, mainly at the non-relativistic approximation, are the cornerstones for studying chemical dynamics and chemical kinetics. Working in extended phase spaces, we show that the physical states of integrable dynamical systems are depicted by Lagrangian submanifolds embedded in phase space. Observable quantities are calculated by properly transforming the extended phase space onto a reduced space, and trajectories are integrated by solving Hamilton’s equations of motion. After defining a Riemannian metric, we can also estimate the length between two states. Local constants of motion are investigated by integrating Jacobi fields and solving the variational linear equations. Diagonalizing the symplectic fundamental matrix, eigenvalues equal to one reveal the number of constants of motion. For conservative systems, geometrical quantum mechanics has proved that solving the Schrödinger equation in extended Hilbert space, which incorporates the quantum phase, is equivalent to solving Hamilton’s equations in the projective Hilbert space. In classical thermodynamics, we take entropy and energy as canonical variables to construct the extended phase space and to represent the Lagrangian submanifold. Hamilton’s and variational equations are written and solved in the same fashion as in classical mechanics. Solvers based on high-order finite differences for numerically solving Hamilton’s, variational, and Schrödinger equations are described. Employing the Hénon–Heiles two-dimensional nonlinear model, representative results for time-dependent, quantum, and dissipative macroscopic systems are shown to illustrate concepts and methods. High-order finite-difference algorithms, despite their accuracy in low-dimensional systems, require substantial computer resources when they are applied to systems with many degrees of freedom, such as polyatomic molecules. We discuss recent research progress in employing Hamiltonian neural networks for solving Hamilton’s equations. It turns out that Hamiltonian geometry, shared with all physical theories, yields the necessary and sufficient conditions for the mutual assistance of humans and machines in deep-learning processes. Full article

We derive accessible upper and lower bounds for continuous-variable (CV) quantum states on quantum mutual information. The derivations are based on the observation that some functions of purities bound the difference between quantum mutual information of a quantum state and its Gaussian reference. The bounds are efficiently obtainable by measuring purities and the covariance matrix without multimode quantum state reconstruction. We extend our approach to the upper and lower bounds for the quantum total correlation of CV multimode quantum states. Furthermore, we investigate the relations of the bounds for the quantum mutual information with the bounds for the quantum conditional entropy. Full article

All features of any data type are universally equipped with categorical nature revealed through histograms. A contingency table framed by two histograms affords directional and mutual associations based on rescaled conditional Shannon entropies for any feature-pair. The heatmap of the mutual association matrix of all features becomes a roadmap showing which features are highly associative with which features. We develop our data analysis paradigm called categorical exploratory data analysis (CEDA) with this heatmap as a foundation. CEDA is demonstrated to provide new resolutions for two topics: multiclass classification (MCC) with one single categorical response variable and response manifold analytics (RMA) with multiple response variables. We compute visible and explainable information contents with multiscale and heterogeneous deterministic and stochastic structures in both topics. MCC involves all feature-group specific mixing geometries of labeled high-dimensional point-clouds. Upon each identified feature-group, we devise an indirect distance measure, a robust label embedding tree (LET), and a series of tree-based binary competitions to discover and present asymmetric mixing geometries. Then, a chain of complementary feature-groups offers a collection of mixing geometric pattern-categories with multiple perspective views. RMA studies a system’s regulating principles via multiple dimensional manifolds jointly constituted by targeted multiple response features and selected major covariate features. This manifold is marked with categorical localities reflecting major effects. Diverse minor effects are checked and identified across all localities for heterogeneity. Both MCC and RMA information contents are computed for data’s information content with predictive inferences as by-products. We illustrate CEDA developments via Iris data and demonstrate its applications on data taken from the PITCHf/x database. Full article

We develop Categorical Exploratory Data Analysis (CEDA) with mimicking to explore and exhibit the complexity of information content that is contained within any data matrix: categorical, discrete, or continuous. Such complexity is shown through visible and explainable serial multiscale structural dependency with heterogeneity. CEDA is developed upon all features’ categorical nature via histogram and it is guided by all features’ associative patterns (order-2 dependence) in a mutual conditional entropy matrix. Higher-order structural dependency of $k(\ge 3)$ features is exhibited through block patterns within heatmaps that are constructed by permuting contingency-kD-lattices of counts. By growing k, the resultant heatmap series contains global and large scales of structural dependency that constitute the data matrix’s information content. When involving continuous features, the principal component analysis (PCA) extracts fine-scale information content from each block in the final heatmap. Our mimicking protocol coherently simulates this heatmap series by preserving global-to-fine scales structural dependency. Upon every step of mimicking process, each accepted simulated heatmap is subject to constraints with respect to all of the reliable observed categorical patterns. For reliability and robustness in sciences, CEDA with mimicking enhances data visualization by revealing deterministic and stochastic structures within each scale-specific structural dependency. For inferences in Machine Learning (ML) and Statistics, it clarifies, upon which scales, which covariate feature-groups have major-vs.-minor predictive powers on response features. For the social justice of Artificial Intelligence (AI) products, it checks whether a data matrix incompletely prescribes the targeted system. Full article

In this paper, we establish a graph imaging technique to manifest local stabilization within atomic systems of multiple levels. Specifically, we address the interrelation between local stabilization and image entropy. As an example, we consider the mutual interaction of two pair of pulses propagating in a double-$\Lambda$ configuration. Thus, we have two different sets of two pulses that share the same shape and phase, initially. The first (second) set belongs to lower (upper) -$\Lambda$ subsystems, respectively. The configuration of two pair of pulses is considered as a dynamical graph model with four nodes. The dynamic transition matrix describes the connectivity matrix in the static graph model. It is to be emphasized that the graph and its image have the same transition matrix. In particular, the graph model exposes the stabilization in terms of the singular-value decomposition of energies for the transition matrix, that is, irrespectively of the structure of the transition matrix. The image model of the graph displays the details of the matrix structure in terms of row and column probabilities. Therefore, it enables one to study conditional probabilities and mutual information inherent in the network of the graph. Furthermore, the graph imaging provides the main row/column contribution to the transition matrix in terms of image entropy. Our results show that image entropy exposes spatial dependence, which is irrelevant to graph entropy. Full article

Feature selection aims to select the smallest feature subset that yields the minimum generalization error. In the rich literature in feature selection, information theory-based approaches seek a subset of features such that the mutual information between the selected features and the class labels is maximized. Despite the simplicity of this objective, there still remain several open problems in optimization. These include, for example, the automatic determination of the optimal subset size (i.e., the number of features) or a stopping criterion if the greedy searching strategy is adopted. In this paper, we suggest two stopping criteria by just monitoring the conditional mutual information (CMI) among groups of variables. Using the recently developed multivariate matrix-based Rényi’s $\alpha$-entropy functional, which can be directly estimated from data samples, we showed that the CMI among groups of variables can be easily computed without any decomposition or approximation, hence making our criteria easy to implement and seamlessly integrated into any existing information theoretic feature selection methods with a greedy search strategy. Full article