Gaussian Approximation Potentials: the accuracy of quantum mechanics, without the electrons

We introduce a class of interatomic potential models that can be automatically generated from data consisting of the energies and forces experienced by atoms, derived from quantum mechanical calculations. The resulting model does not have a fixed functional form and hence is capable of modeling complex potential energy landscapes. It is systematically improvable with more data. We apply the method to bulk carbon, silicon and germanium and test it by calculating properties of the crystals at high temperatures. Using the interatomic potential to generate the long molecular dynamics trajectories required for such calculations saves orders of magnitude in computational cost.Comment: v3-4: added new material and reference

Ariel - Volume 8 Number 3

Executive Editor James W. Lockard, Jr. Business Manager Neeraj K. Kanwal University News Richard J . Perry World News Doug Hiller Opinions Elizabeth A. McGuire Features Patrick P. Sokas Sports Desk Shahab S. Minassian Managing Editor Edward H. Jasper Managing Associate Brenda Peterson Photography Editor Robert D. Lehman. Jr. Graphics Christine M. Kuhnl

Bootstrapping Conditional GANs for Video Game Level Generation

Generative Adversarial Networks (GANs) have shown im-pressive results for image generation. However, GANs facechallenges in generating contents with certain types of con-straints, such as game levels. Specifically, it is difficult togenerate levels that have aesthetic appeal and are playable atthe same time. Additionally, because training data usually islimited, it is challenging to generate unique levels with cur-rent GANs. In this paper, we propose a new GAN architec-ture namedConditional Embedding Self-Attention Genera-tive Adversarial Network(CESAGAN) and a new bootstrap-ping training procedure. The CESAGAN is a modification ofthe self-attention GAN that incorporates an embedding fea-ture vector input to condition the training of the discriminatorand generator. This allows the network to model non-localdependency between game objects, and to count objects. Ad-ditionally, to reduce the number of levels necessary to trainthe GAN, we propose a bootstrapping mechanism in whichplayable generated levels are added to the training set. Theresults demonstrate that the new approach does not only gen-erate a larger number of levels that are playable but also gen-erates fewer duplicate levels compared to a standard GAN

Do software models based on the UML aid in source-code comprehensibility? Aggregating evidence from 12 controlled experiments

In this paper, we present the results of long-term research conducted in order to study the contribution made by software models based on the Unified Modeling Language (UML) to the comprehensibility of Java source-code deprived of comments. We have conducted 12 controlled experiments in different experimental contexts and on different sites with participants with different levels of expertise (i.e., Bachelor’s, Master’s, and PhD students and software practitioners from Italy and Spain). A total of 333 observations were obtained from these experiments. The UML models in our experiments were those produced in the analysis and design phases. The models produced in the analysis phase were created with the objective of abstracting the environment in which the software will work (i.e., the problem domain), while those produced in the design phase were created with the goal of abstracting implementation aspects of the software (i.e., the solution/application domain). Source-code comprehensibility was assessed with regard to correctness of understanding, time taken to accomplish the comprehension tasks, and efficiency as regards accomplishing those tasks. In order to study the global effect of UML models on source-code comprehensibility, we aggregated results from the individual experiments using a meta-analysis. We made every effort to account for the heterogeneity of our experiments when aggregating the results obtained from them. The overall results suggest that the use of UML models affects the comprehensibility of source-code, when it is deprived of comments. Indeed, models produced in the analysis phase might reduce source-code comprehensibility, while increasing the time taken to complete comprehension tasks. That is, browsing source code and this kind of models together negatively impacts on the time taken to complete comprehension tasks without having a positive effect on the comprehensibility of source code. One plausible justification for this is that the UML models produced in the analysis phase focus on the problem domain. That is, models produced in the analysis phase say nothing about source code and there should be no expectation that they would, in any way, be beneficial to comprehensibility. On the other hand, UML models produced in the design phase improve source-code comprehensibility. One possible justification for this result is that models produced in the design phase are more focused on implementation details. Therefore, although the participants had more material to read and browse, this additional effort was paid back in the form of an improved comprehension of source code

Teleology and Realism in Leibniz's Philosophy of Science

This paper argues for an interpretation of Leibniz’s claim that physics requires both mechanical and teleological principles as a view regarding the interpretation of physical theories. Granting that Leibniz’s fundamental ontology remains non-physical, or mentalistic, it argues that teleological principles nevertheless ground a realist commitment about mechanical descriptions of phenomena. The empirical results of the new sciences, according to Leibniz, have genuine truth conditions: there is a fact of the matter about the regularities observed in experience. Taking this stance, however, requires bringing non-empirical reasons to bear upon mechanical causal claims. This paper first evaluates extant interpretations of Leibniz’s thesis that there are two realms in physics as describing parallel, self-sufficient sets of laws. It then examines Leibniz’s use of teleological principles to interpret scientific results in the context of his interventions in debates in seventeenth-century kinematic theory, and in the teaching of Copernicanism. Leibniz’s use of the principle of continuity and the principle of simplicity, for instance, reveal an underlying commitment to the truth-aptness, or approximate truth-aptness, of the new natural sciences. The paper concludes with a brief remark on the relation between metaphysics, theology, and physics in Leibniz

Space/Time Noncommutativity in String Theories without Background Electric Field

The appearance of space/time non-commutativity in theories of open strings with a constant non-diagonal background metric is considered. We show that, even if the space-time coordinates commute, when there is a metric with a time-space component, no electric field and the boundary condition along the spatial direction is Dirichlet, a Moyal phase still arises in products of vertex operators. The theory is in fact dual to the non-commutatitive open string (NCOS) theory. The correct definition of the vertex operators for this theory is provided. We study the system also in the presence of a $B$ field. We consider the case in which the Dirichlet spatial direction is compactified and analyze the effect of these background on the closed string spectrum. We then heat up the system. We find that the Hagedorn temperature depends in a non-extensive way on the parameters of the background and it is the same for the closed and the open string sectors.Comment: 18 pages, JHEP styl

Study of a Class of Four Dimensional Nonsingular Cosmological Bounces

We study a novel class of nonsingular time-symmetric cosmological bounces. In this class of four dimensional models the bounce is induced by a perfect fluid with a negative energy density. Metric perturbations are solved in an analytic way all through the bounce. The conditions for generating a scale invariant spectrum of tensor and scalar metric perturbations are discussed.Comment: 16 pages, 10 figure

Ariel - Volume 8 Number 2

Executive Editor James W. Lockard , Jr. Issue Editor Doug Hiller Business Manager Neeraj K. Kanwal University News Richard J. Perry World News Doug Hiller Opinions Elizabeth A. McGuire Features Patrick P. Sokas Sports Desk Shahab S. Minassian Managing Editor Edward H. Jasper Managing Associate Brenda Peterson Photography Editor Robert D. Lehman, Jr. Graphics Christine M. Kuhnl

High regional climate sensitivity over continental China constrained by glacial-recent changes in temperature and the hydrological cycle

The East Asian monsoon is one of Earth’s most significant climatic phenomena, and numerous paleoclimate archives have revealed that it exhibits variations on orbital and suborbital time scales. Quantitative constraints on the climate changes associated with these past variations are limited, yet are needed to constrain sensitivity of the region to changes in greenhouse gas levels. Here, we show central China is a region that experienced a much larger temperature change since the Last Glacial Maximum than typically simulated by climate models. We applied clumped isotope thermometry to carbonates from the central Chinese Loess Plateau to reconstruct temperature and water isotope shifts from the Last Glacial Maximum to present. We find a summertime temperature change of 6–7 °C that is reproduced by climate model simulations presented here. Proxy data reveal evidence for a shift to lighter isotopic composition of meteoric waters in glacial times, which is also captured by our model. Analysis of model outputs suggests that glacial cooling over continental China is significantly amplified by the influence of stationary waves, which, in turn, are enhanced by continental ice sheets. These results not only support high regional climate sensitivity in Central China but highlight the fundamental role of planetary-scale atmospheric dynamics in the sensitivity of regional climates to continental glaciation, changing greenhouse gas levels, and insolation