Approximation of graph edit distance based on Hausdorff matching

Graph edit distance is a powerful and flexible method for error-tolerant graph matching. Yet it can only be calculated for small graphs in practice due to its exponential time complexity when considering unconstrained graphs. In this paper we propose a quadratic time approximation of graph edit distance based on Hausdorff matching. In a series of experiments we analyze the performance of the proposed Hausdorff edit distance in the context of graph classification and compare it with a cubic time algorithm based on the assignment problem. Investigated applications include nearest neighbor classification of graphs representing letter drawings, fingerprints, and molecular compounds as well as hidden Markov model classification of vector space embedded graphs representing handwriting. In many cases, a substantial speedup is achieved with only a minor loss in accuracy or, in one case, even with a gain in accuracy. Overall, the proposed Hausdorff edit distance shows a promising potential in terms of flexibility, efficiency, and accuracy.     

Search combinators

The ability to model search in a constraint solver can be an essential asset for solving combinatorial problems. However, existing infrastructure for defining search heuristics is often inadequate. Either modeling capabilities are extremely limited or users are faced with a general-purpose programming language whose features are not tailored towards writing search heuristics. As a result, major improvements in performance may remain unexplored. This article introduces search combinators, a lightweight and solver-independent method that bridges the gap between a conceptually simple modeling language for search (high-level, functional and naturally compositional) and an efficient implementation (low-level, imperative and highly non-modular). By allowing the user to define application-tailored search strategies from a small set of primitives, search combinators effectively provide a rich domain-specific language (DSL) for modeling search to the user. Remarkably, this DSL comes at a low implementation cost to the developer of a constraint solver. The article discusses two modular implementation approaches and shows, by empirical evaluation, that search combinators can be implemented without overhead compared to a native, direct implementation in a constraint solver.     

On preconditioning for a parallel solution of the Richards equation

In this paper, we present a class of preconditioning methods for a parallel solution of the three-dimensional Richards equation. The preconditioning methods Jacobi scaling, block-Jacobi, incomplete lower–upper, incomplete Cholesky and algebraic multigrid were applied in combination with a parallel conjugate gradient solver and tested for robustness and convergence using two model scenarios. The first scenario was an infiltration into initially dry, sandy soil discretised in 500,000 nodes. The second scenario comprised spatially distributed soil properties using 275,706 numerical nodes and atmospheric boundary conditions. Computational results showed a high efficiency of the nonlinear parallel solution procedure for both scenarios using up to 64 processors. Using 32 processors for the first scenario reduced the wall clock time to slightly more than 1% of the single processor run. For scenario 2 the use of 64 processors reduces the wall clock time to slightly more than 20% of the 8 processors wall clock time. The difference in the efficiency of the various preconditioning methods is moderate but not negligible. The use of the multigrid preconditioning algorithm is recommended, since on average it performed best for both scenarios.     

Hidden Markov model-based ensemble methods for offline handwritten text line recognition

This paper investigates various ensemble methods for offline handwritten text line recognition. To obtain ensembles of recognisers, we implement bagging, random feature subspace, and language model variation methods. For the combination, the word sequences returned by the individual ensemble members are first aligned. Then a confidence-based voting strategy determines the final word sequence. A number of confidence measures based on normalised likelihoods and alternative candidates are evaluated. Experiments show that the proposed ensemble methods can improve the recognition accuracy over an optimised single reference recogniser.     

Thermodynamic magnetization discontinuity between the A and B phases of superfluid3he

We present data for the magnitude of the thermodynamic magnetization discontinuity at the equilibrium A-B transition in superfluid³He, M_AB, over its entire pressure-temperature-magnetic field phase diagram. The data was taken by measuring flux changes in a SQUID pick-up coil, which was calibrated by a novel first-principles technique. We compare our results with those of NMR experiments, and find that the two types of measurements yield different values, and this discrepancy is not the result of thermometry or field errors.     

Evidence for Glass–glass Interfaces in a Columnar Cu–Zr Nanoglass

Comprehensive analyses of the atomic structure using advanced analytical transmission electron microscopy-based methods combined with atom probe tomography confirm the presence of distinct glass–glass interfaces in a columnar Cu-Zr nanoglass synthesized by magnetron sputtering. These analyses provide first-time in-depth characterization of sputtered film nanoglasses and indicate that glass–glass interfaces indeed present an amorphous phase with reduced mass density as compared to the neighboring amorphous regions. Moreover, dedicated analyses of the diffusion kinetics by time-of-flight secondary ion mass spectroscopy (ToF SIMS) prove significantly enhanced diffusivity, suggesting fast transport along the low density glass–glass interfaces. The present results further indicate that sputter deposition is a feasible technique for reliable production of nanoglasses and that some of the concepts proposed for this new class of glassy materials are applicable.     

Deterministic Polymorphic Engineering of MoTe2 for Photonic and Optoelectronic Applications

Developing selective and coherent polymorphic crystals at the nanoscale offers a novel strategy for designing integrated architectures for photonic and optoelectronic applications such as metasurfaces, optical gratings, photodetectors, and image sensors. Here, a direct optical writing approach is demonstrated to deterministically create polymorphic 2D materials by locally inducing metallic 1T′-MoTe₂ on the semiconducting 2H-MoTe₂ host layer. In the polymorphic-engineered MoTe₂, 2H- and 1T′- crystalline phases exhibit strong optical contrast from near-infrared to telecom-band ranges (1–1.5 µm), due to the change in the band structure and increase in surface roughness. Sevenfold enhancement of third harmonic generation intensity is realized with conversion efficiency (susceptibility) of ≈1.7 × 10⁻⁷ (1.1 × 10⁻¹⁹ m² V⁻²) and ≈1.7 × 10⁻⁸ (0.3 × 10⁻¹⁹ m² V⁻²) for 1T′ and 2H-MoTe₂, respectively at telecom-band ultrafast pump laser. Lastly, based on polymorphic engineering on MoTe₂, a Schottky photodiode with a high photoresponsivity of 90 AW⁻¹ is demonstrated. This study proposes facile polymorphic engineered structures that will greatly benefit realizing integrated photonics and optoelectronic circuits.     

An Overview and Future Perspectives of Aluminum Batteries

A critical overview of the latest developments in the aluminum battery technologies is reported. The substitution of lithium with alternative metal anodes characterized by lower cost and higher abundance is nowadays one of the most widely explored paths to reduce the cost of electrochemical storage systems and enable long‐term sustainability. Aluminum based secondary batteries could be a viable alternative to the present Li‐ion technology because of their high volumetric capacity (8040 mAh cm^?3 for Al vs 2046 mAh cm^?3 for Li). Additionally, the low cost aluminum makes these batteries appealing for large‐scale electrical energy storage. Here, we describe the evolution of the various aluminum systems, starting from those based on aqueous electrolytes to, in more details, those based on non‐aqueous electrolytes. Particular attention has been dedicated to the latest development of electrolytic media characterized by low reactivity towards other cell components. The attention is then focused on electrode materials enabling the reversible aluminum intercalation‐deintercalation process. Finally, we touch on the topic of high‐capacity aluminum‐sulfur batteries, attempting to forecast their chances to reach the status of practical energy storage systems.     

Dynamic optimal experimental design yields marginal improvement over steady‐state results for computational maximisation of regulatory T‐cell induction in ex vivo culture

The isolation of T cells, followed by differentiation into Regulatory T cells (Tregs), and re‐transplantation into the body has been proposed as a therapeutic option for inflammatory bowel disease. A key requirement for making this a viable therapeutic option is the generation of a large population of Tregs. However, cytokines in the local microenvironment can impact the yield of Tregs during differentiation. As such, experimental design is an essential part of evaluating the importance of different cytokine concentrations for Treg differentiation. However, currently only single, constant concentrations of the cytokines have been investigated. This work addresses this point by performing experimental design in silico which seeks to maximize the predicted induction of Tregs relative to Th17 cells, by selecting an optimal input function for the concentrations of TGF‐β, IL‐2, IL‐6, and IL‐23. While this approach sounds promising, the results show that only marginal improvements in the concentration of Tregs can be achieved for dynamic cytokine profiles as compared to optimal constant concentrations. Since constant concentrations are easier to implement in experiments, it is recommended for this particular system to keep the concentrations constant where IL‐6 should be kept low and high concentrations of TGF‐β, IL‐2, and IL‐23 should be used.Inspec keywords: patient treatment, molecular biophysics, proteins, cellular biophysics, diseasesOther keywords: Tregs relative, optimal input function, dynamic cytokine profiles, optimal constant concentrations, IL‐23, computational maximisation, regulatory T‐cell induction, inflammatory bowel disease, viable therapeutic option, local microenvironment, Treg differentiation, single concentrations, predicted induction, dynamic optimal experimental design, interleukin‐2, IL‐6, transforming growth factor‐β