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The Emission Structure of Formaldehyde MegaMasers
The formaldehyde MegaMaser emission has been mapped for the three host galaxies IC\,860. IRAS\,15107$+$0724, and Arp\,220. Elongated emission components are found at the nuclear centres of all galaxies with an extent ranging between 30 to 100 pc. These components are superposed on the peaks of the nuclear continuum. Additional isolated emission components are found superposed in the outskirts of the radio continuum structure. The brightness temperatures of the detected features ranges from 0.6 to 13.4 $\times 10^{4}$ K, which confirms their masering nature. The masering scenario is interpreted as amplification of the radio continuum by foreground molecular gas that is pumped by far-infrared radiation fields in these starburst environments of the host galaxies.
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Variational approach for learning Markov processes from time series data
Inference, prediction and control of complex dynamical systems from time series is important in many areas, including financial markets, power grid management, climate and weather modeling, or molecular dynamics. The analysis of such highly nonlinear dynamical systems is facilitated by the fact that we can often find a (generally nonlinear) transformation of the system coordinates to features in which the dynamics can be excellently approximated by a linear Markovian model. Moreover, the large number of system variables often change collectively on large time- and length-scales, facilitating a low-dimensional analysis in feature space. In this paper, we introduce a variational approach for Markov processes (VAMP) that allows us to find optimal feature mappings and optimal Markovian models of the dynamics from given time series data. The key insight is that the best linear model can be obtained from the top singular components of the Koopman operator. This leads to the definition of a family of score functions called VAMP-r which can be calculated from data, and can be employed to optimize a Markovian model. In addition, based on the relationship between the variational scores and approximation errors of Koopman operators, we propose a new VAMP-E score, which can be applied to cross-validation for hyper-parameter optimization and model selection in VAMP. VAMP is valid for both reversible and nonreversible processes and for stationary and non-stationary processes or realizations.
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A unifying framework for the modelling and analysis of STR DNA samples arising in forensic casework
This paper presents a new framework for analysing forensic DNA samples using probabilistic genotyping. Specifically it presents a mathematical framework for specifying and combining the steps in producing forensic casework electropherograms of short tandem repeat loci from DNA samples. It is applicable to both high and low template DNA samples, that is, samples containing either high or low amounts DNA. A specific model is developed within the framework, by way of particular modelling assumptions and approximations, and its interpretive power presented on examples using simulated data and data from a publicly available dataset. The framework relies heavily on the use of univariate and multivariate probability generating functions. It is shown that these provide a succinct and elegant mathematical scaffolding to model the key steps in the process. A significant development in this paper is that of new numerical methods for accurately and efficiently evaluating the probability distribution of amplicons arising from the polymerase chain reaction process, which is modelled as a discrete multi-type branching process. Source code in the scripting languages Python, R and Julia is provided for illustration of these methods. These new developments will be of general interest to persons working outside the province of forensic DNA interpretation that this paper focuses on.
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A new class of ferromagnetic semiconductors with high Curie temperatures
Ferromagnetic semiconductors (FMSs), which have the properties and functionalities of both semiconductors and ferromagnets, provide fascinating opportunities for basic research in condensed matter physics and device applications. Over the past two decades, however, intensive studies on various FMS materials, inspired by the influential mean-field Zener (MFZ) model have failed to realise reliable FMSs that have a high Curie temperature (Tc > 300 K), good compatibility with semiconductor electronics, and characteristics superior to those of their non-magnetic host semiconductors. Here, we demonstrate a new n type Fe-doped narrow-gap III-V FMS, (In,Fe)Sb, in which ferromagnetic order is induced by electron carriers, and its Tc is unexpectedly high, reaching ~335 K at a modest Fe concentration of 16%. Furthermore, we show that by utilizing the large anomalous Hall effect of (In,Fe)Sb at room temperature, it is possible to obtain a Hall sensor with a very high sensitivity that surpasses that of the best commercially available InSb Hall sensor devices. Our results reveal a new design rule of FMSs that is not expected from the conventional MFZ model. (This work was presented at the JSAP Spring meeting, presentation No. E15a-501-2: this https URL)
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On a Distributed Approach for Density-based Clustering
Efficient extraction of useful knowledge from these data is still a challenge, mainly when the data is distributed, heterogeneous and of different quality depending on its corresponding local infrastructure. To reduce the overhead cost, most of the existing distributed clustering approaches generate global models by aggregating local results obtained on each individual node. The complexity and quality of solutions depend highly on the quality of the aggregation. In this respect, we proposed for distributed density-based clustering that both reduces the communication overheads due to the data exchange and improves the quality of the global models by considering the shapes of local clusters. From preliminary results we show that this algorithm is very promising.
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Accretion of Planetary Material onto Host Stars
Accretion of planetary material onto host stars may occur throughout a star's life. Especially prone to accretion, extrasolar planets in short-period orbits, while relatively rare, constitute a significant fraction of the known population, and these planets are subject to dynamical and atmospheric influences that can drive significant mass loss. Theoretical models frame expectations regarding the rates and extent of this planetary accretion. For instance, tidal interactions between planets and stars may drive complete orbital decay during the main sequence. Many planets that survive their stars' main sequence lifetime will still be engulfed when the host stars become red giant stars. There is some observational evidence supporting these predictions, such as a dearth of close-in planets around fast stellar rotators, which is consistent with tidal spin-up and planet accretion. There remains no clear chemical evidence for pollution of the atmospheres of main sequence or red giant stars by planetary materials, but a wealth of evidence points to active accretion by white dwarfs. In this article, we review the current understanding of accretion of planetary material, from the pre- to the post-main sequence and beyond. The review begins with the astrophysical framework for that process and then considers accretion during various phases of a host star's life, during which the details of accretion vary, and the observational evidence for accretion during these phases.
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High-Fidelity, Single-Shot, Quantum-Logic-Assisted Readout in a Mixed-Species Ion Chain
We use a co-trapped ion ($^{88}\mathrm{Sr}^{+}$) to sympathetically cool and measure the quantum state populations of a memory-qubit ion of a different atomic species ($^{40}\mathrm{Ca}^{+}$) in a cryogenic, surface-electrode ion trap. Due in part to the low motional heating rate demonstrated here, the state populations of the memory ion can be transferred to the auxiliary ion by using the shared motion as a quantum state bus and measured with an average accuracy of 96(1)%. This scheme can be used in quantum information processors to reduce photon-scattering-induced error in unmeasured memory qubits.
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Investigation of faint galactic carbon stars from the first Byurakan spectral survey. III. Infrared characteristics
Infra-Red(IR) astronomical databases, namely, IRAS, 2MASS, WISE, and Spitzer, are used to analyze photometric data of 126 carbon stars whose spectra are visible in the First Byurakan Survey low-resolution spectral plates. Among these, six new objects, recently confirmed on the digitized FBS plates, are included. For three of them, moderate-resolution CCD optical spectra are also presented. In this work several IR color-color diagrams are studied. Early and late-type C stars are separated in the JHK Near-Infra-Red(NIR) color-color plots, as well as in the WISE W3-W4 versus W1-W2 diagram. Late N-type Asymptotic Giant Branch stars are redder in W1-W2, while early-types(CH and R giants) are redder in W3-W4 as expected. Objects with W2-W3 > 1.0 mag. show double-peaked spectral energy distribution, indicating the existence of the circumstellar envelopes around them. 26 N-type stars have IRAS Point Source Catalog(PSC) associations. For FBS 1812+455 IRAS Low-Resolution Spectra in the wavelength range 7.7 - 22.6micron and Spitzer Space Telescope Spectra in the range 5 - 38micro are presented clearly showing absorption features of C2H2(acetylene) molecule at 7.5 and 13.7micron , and the SiC(silicone carbide) emission at 11.3micron. The mass-loss rates for eight Mira-type variables are derived from the K-[12] color and from the pulsation periods. The reddest object among the targets is N-type C star FBS 2213+421, which belong to the group of the cold post-AGB R Coronae Borealis(R CrB) variables.
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Quantifying Interpretability and Trust in Machine Learning Systems
Decisions by Machine Learning (ML) models have become ubiquitous. Trusting these decisions requires understanding how algorithms take them. Hence interpretability methods for ML are an active focus of research. A central problem in this context is that both the quality of interpretability methods as well as trust in ML predictions are difficult to measure. Yet evaluations, comparisons and improvements of trust and interpretability require quantifiable measures. Here we propose a quantitative measure for the quality of interpretability methods. Based on that we derive a quantitative measure of trust in ML decisions. Building on previous work we propose to measure intuitive understanding of algorithmic decisions using the information transfer rate at which humans replicate ML model predictions. We provide empirical evidence from crowdsourcing experiments that the proposed metric robustly differentiates interpretability methods. The proposed metric also demonstrates the value of interpretability for ML assisted human decision making: in our experiments providing explanations more than doubled productivity in annotation tasks. However unbiased human judgement is critical for doctors, judges, policy makers and others. Here we derive a trust metric that identifies when human decisions are overly biased towards ML predictions. Our results complement existing qualitative work on trust and interpretability by quantifiable measures that can serve as objectives for further improving methods in this field of research.
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The Intertropical Convergence Zone
This activity has been developed as a resource for the "EU Space Awareness" educational programme. As part of the suite "Our Fragile Planet" together with the "Climate Box" it addresses aspects of weather phenomena, the Earth's climate and climate change as well as Earth observation efforts like in the European "Copernicus" programme. This resource consists of three parts that illustrate the power of the Sun driving a global air circulation system that is also responsible for tropical and subtropical climate zones. Through experiments, students learn how heated air rises above cool air and how a continuous heat source produces air convection streams that can even drive a propeller. Students then apply what they have learnt to complete a worksheet that presents the big picture of the global air circulation system of the equator region by transferring the knowledge from the previous activities in to a larger scale.
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Nonconvex Sparse Logistic Regression with Weakly Convex Regularization
In this work we propose to fit a sparse logistic regression model by a weakly convex regularized nonconvex optimization problem. The idea is based on the finding that a weakly convex function as an approximation of the $\ell_0$ pseudo norm is able to better induce sparsity than the commonly used $\ell_1$ norm. For a class of weakly convex sparsity inducing functions, we prove the nonconvexity of the corresponding sparse logistic regression problem, and study its local optimality conditions and the choice of the regularization parameter to exclude trivial solutions. Despite the nonconvexity, a method based on proximal gradient descent is used to solve the general weakly convex sparse logistic regression, and its convergence behavior is studied theoretically. Then the general framework is applied to a specific weakly convex function, and a necessary and sufficient local optimality condition is provided. The solution method is instantiated in this case as an iterative firm-shrinkage algorithm, and its effectiveness is demonstrated in numerical experiments by both randomly generated and real datasets.
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Inapproximability of the independent set polynomial in the complex plane
We study the complexity of approximating the independent set polynomial $Z_G(\lambda)$ of a graph $G$ with maximum degree $\Delta$ when the activity $\lambda$ is a complex number. This problem is already well understood when $\lambda$ is real using connections to the $\Delta$-regular tree $T$. The key concept in that case is the "occupation ratio" of the tree $T$. This ratio is the contribution to $Z_T(\lambda)$ from independent sets containing the root of the tree, divided by $Z_T(\lambda)$ itself. If $\lambda$ is such that the occupation ratio converges to a limit, as the height of $T$ grows, then there is an FPTAS for approximating $Z_G(\lambda)$ on a graph $G$ with maximum degree $\Delta$. Otherwise, the approximation problem is NP-hard. Unsurprisingly, the case where $\lambda$ is complex is more challenging. Peters and Regts identified the complex values of $\lambda$ for which the occupation ratio of the $\Delta$-regular tree converges. These values carve a cardioid-shaped region $\Lambda_\Delta$ in the complex plane. Motivated by the picture in the real case, they asked whether $\Lambda_\Delta$ marks the true approximability threshold for general complex values $\lambda$. Our main result shows that for every $\lambda$ outside of $\Lambda_\Delta$, the problem of approximating $Z_G(\lambda)$ on graphs $G$ with maximum degree at most $\Delta$ is indeed NP-hard. In fact, when $\lambda$ is outside of $\Lambda_\Delta$ and is not a positive real number, we give the stronger result that approximating $Z_G(\lambda)$ is actually #P-hard. If $\lambda$ is a negative real number outside of $\Lambda_\Delta$, we show that it is #P-hard to even decide whether $Z_G(\lambda)>0$, resolving in the affirmative a conjecture of Harvey, Srivastava and Vondrak. Our proof techniques are based around tools from complex analysis - specifically the study of iterative multivariate rational maps.
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A giant with feet of clay: on the validity of the data that feed machine learning in medicine
This paper considers the use of Machine Learning (ML) in medicine by focusing on the main problem that this computational approach has been aimed at solving or at least minimizing: uncertainty. To this aim, we point out how uncertainty is so ingrained in medicine that it biases also the representation of clinical phenomena, that is the very input of ML models, thus undermining the clinical significance of their output. Recognizing this can motivate both medical doctors, in taking more responsibility in the development and use of these decision aids, and the researchers, in pursuing different ways to assess the value of these systems. In so doing, both designers and users could take this intrinsic characteristic of medicine more seriously and consider alternative approaches that do not "sweep uncertainty under the rug" within an objectivist fiction, which everyone can come up by believing as true.
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Constraining accretion signatures of exoplanets in the TW Hya transitional disk
We present a near-infrared direct imaging search for accretion signatures of possible protoplanets around the young stellar object (YSO) TW Hya, a multi-ring disk exhibiting evidence of planet formation. The Pa$\beta$ line (1.282 $\mu$m) is an indication of accretion onto a protoplanet, and its intensity is much higher than that of blackbody radiation from the protoplanet. We focused on the Pa$\beta$ line and performed Keck/OSIRIS spectroscopic observations. Although spectral differential imaging (SDI) reduction detected no accretion signatures, the results of the present study allowed us to set 5$\sigma$ detection limits for Pa$\beta$ emission of $5.8\times10^{-18}$ and $1.5\times10^{-18}$ erg/s/cm$^2$ at 0\farcs4 and 1\farcs6, respectively. We considered the mass of potential planets using theoretical simulations of circumplanetary disks and hydrogen emission. The resulting masses were $1.45\pm 0.04$ M$_{\rm J}$ and $2.29 ^{+0.03}_{-0.04}$ M$_{\rm J}$ at 25 and 95 AU, respectively, which agree with the detection limits obtained from previous broadband imaging. The detection limits should allow the identification of protoplanets as small as $\sim$1 M$_{\rm J}$, which may assist in direct imaging searches around faint YSOs for which extreme adaptive optics instruments are unavailable.
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Obstructions to planarity of contact 3-manifolds
We prove that if a contact 3-manifold admits an open book decomposition of genus 0, a certain intersection pattern cannot appear in the homology of any of its symplectic fillings, and morever, fillings cannot contain certain symplectic surfaces. Applying these obstructions to canonical contact structures on links of normal surface singularities, we show that links of isolated singularities of surfaces in the complex 3-space are planar only in the case of $A_n$-singularities, and in general characterize completely planar links of normal surface singularities (in terms of their resolution graphs). We also establish non-planarity of tight contact structures on certain small Seifert fibered L-spaces and of contact structures compatible with open books given by a boundary multi-twist on a page of positive genus. Additionally, we prove that every finitely presented group is the fundamental group of a Leschetz fibration with planar fibers.
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Bounds on harmonic radius and limits of manifolds with bounded Bakry-Émery Ricci curvature
Under the usual condition that the volume of a geodesic ball is close to the Euclidean one or the injectivity radii is bounded from below, we prove a lower bound of the $C^{\alpha} W^{1, q}$ harmonic radius for manifolds with bounded Bakry-Émery Ricci curvature when the gradient of the potential is bounded. Under these conditions, the regularity that can be imposed on the metrics under harmonic coordinates is only $C^\alpha W^{1,q}$, where $q>2n$ and $n$ is the dimension of the manifolds. This is almost 1 order lower than that in the classical $C^{1,\alpha} W^{2, p}$ harmonic coordinates under bounded Ricci curvature condition [And]. The loss of regularity induces some difference in the method of proof, which can also be used to address the detail of $W^{2, p}$ convergence in the classical case. Based on this lower bound and the techniques in [ChNa2] and [WZ], we extend Cheeger-Naber's Codimension 4 Theorem in [ChNa2] to the case where the manifolds have bounded Bakry-Émery Ricci curvature when the gradient of the potential is bounded. This result covers Ricci solitons when the gradient of the potential is bounded. During the proof, we will use a Green's function argument and adopt a linear algebra argument in [Bam]. A new ingradient is to show that the diagonal entries of the matrices in the Transformation Theorem are bounded away from 0. Together these seem to simplify the proof of the Codimension 4 Theorem, even in the case where Ricci curvature is bounded.
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Fast and Scalable Bayesian Deep Learning by Weight-Perturbation in Adam
Uncertainty computation in deep learning is essential to design robust and reliable systems. Variational inference (VI) is a promising approach for such computation, but requires more effort to implement and execute compared to maximum-likelihood methods. In this paper, we propose new natural-gradient algorithms to reduce such efforts for Gaussian mean-field VI. Our algorithms can be implemented within the Adam optimizer by perturbing the network weights during gradient evaluations, and uncertainty estimates can be cheaply obtained by using the vector that adapts the learning rate. This requires lower memory, computation, and implementation effort than existing VI methods, while obtaining uncertainty estimates of comparable quality. Our empirical results confirm this and further suggest that the weight-perturbation in our algorithm could be useful for exploration in reinforcement learning and stochastic optimization.
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Improving average ranking precision in user searches for biomedical research datasets
Availability of research datasets is keystone for health and life science study reproducibility and scientific progress. Due to the heterogeneity and complexity of these data, a main challenge to be overcome by research data management systems is to provide users with the best answers for their search queries. In the context of the 2016 bioCADDIE Dataset Retrieval Challenge, we investigate a novel ranking pipeline to improve the search of datasets used in biomedical experiments. Our system comprises a query expansion model based on word embeddings, a similarity measure algorithm that takes into consideration the relevance of the query terms, and a dataset categorisation method that boosts the rank of datasets matching query constraints. The system was evaluated using a corpus with 800k datasets and 21 annotated user queries. Our system provides competitive results when compared to the other challenge participants. In the official run, it achieved the highest infAP among the participants, being +22.3% higher than the median infAP of the participant's best submissions. Overall, it is ranked at top 2 if an aggregated metric using the best official measures per participant is considered. The query expansion method showed positive impact on the system's performance increasing our baseline up to +5.0% and +3.4% for the infAP and infNDCG metrics, respectively. Our similarity measure algorithm seems to be robust, in particular compared to Divergence From Randomness framework, having smaller performance variations under different training conditions. Finally, the result categorization did not have significant impact on the system's performance. We believe that our solution could be used to enhance biomedical dataset management systems. In particular, the use of data driven query expansion methods could be an alternative to the complexity of biomedical terminologies.
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Adversarial Attacks on Neural Networks for Graph Data
Deep learning models for graphs have achieved strong performance for the task of node classification. Despite their proliferation, currently there is no study of their robustness to adversarial attacks. Yet, in domains where they are likely to be used, e.g. the web, adversaries are common. Can deep learning models for graphs be easily fooled? In this work, we introduce the first study of adversarial attacks on attributed graphs, specifically focusing on models exploiting ideas of graph convolutions. In addition to attacks at test time, we tackle the more challenging class of poisoning/causative attacks, which focus on the training phase of a machine learning model. We generate adversarial perturbations targeting the node's features and the graph structure, thus, taking the dependencies between instances in account. Moreover, we ensure that the perturbations remain unnoticeable by preserving important data characteristics. To cope with the underlying discrete domain we propose an efficient algorithm Nettack exploiting incremental computations. Our experimental study shows that accuracy of node classification significantly drops even when performing only few perturbations. Even more, our attacks are transferable: the learned attacks generalize to other state-of-the-art node classification models and unsupervised approaches, and likewise are successful even when only limited knowledge about the graph is given.
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Electromagnetic energy, momentum and forces in a dielectric medium with losses
From the energy-momentum tensors of the electromagnetic field and the mechanical energy-momentum, the equations of energy conservation and balance of electromagnetic and mechanical forces are obtained. The equation for the Abraham force in a dielectric medium with losses is obtained
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Thermotronics: toward nanocircuits to manage radiative heat flux
The control of electric currents in solids is at the origin of the modern electronics revolution which has driven our daily life since the second half of 20th century. Surprisingly, to date, there is no thermal analog for a control of heat flux. Here, we summarize the very last developments carried out in this direction to control heat exchanges by radiation both in near and far-field in complex architecture networks.
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Multiplication and Presence of Shielding Material from Time-Correlated Pulse-Height Measurements of Subcritical Plutonium Assemblies
We present the results from the first measurements of the Time-Correlated Pulse-Height (TCPH) distributions from 4.5 kg sphere of $\alpha$-phase weapons-grade plutonium metal in five configurations: bare, reflected by 1.27 cm and 2.54 cm of tungsten, and 2.54 cm and 7.62 cm of polyethylene. A new method for characterizing source multiplication and shielding configuration is also demonstrated. The method relies on solving for the underlying fission chain timing distribution that drives the spreading of the measured TCPH distribution. We found that a gamma distribution fits the fission chain timing distribution well and that the fit parameters correlate with both multiplication (rate parameter) and shielding material types (shape parameter). The source-to-detector distance was another free parameter that we were able to optimize, and proved to be the most well constrained parameter. MCNPX-PoliMi simulations were used to complement the measurements and help illustrate trends in these parameters and their relation to multiplication and the amount and type of material coupled to the subcritical assembly.
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General Refraction Problems with Phase Discontinuity
This paper provides a mathematical approach to study metasurfaces in non flat geometries. Analytical conditions between the curvature of the surface and the set of refracted directions are introduced to guarantee the existence of phase discontinuities. The approach contains both the near and far field cases. A starting point is the formulation of a vector Snell law in presence of abrupt discontinuities on the interfaces.
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An Efficiently Searchable Encrypted Data Structure for Range Queries
At CCS 2015 Naveed et al. presented first attacks on efficiently searchable encryption, such as deterministic and order-preserving encryption. These plaintext guessing attacks have been further improved in subsequent work, e.g. by Grubbs et al. in 2016. Such cryptanalysis is crucially important to sharpen our understanding of the implications of security models. In this paper we present an efficiently searchable, encrypted data structure that is provably secure against these and even more powerful chosen plaintext attacks. Our data structure supports logarithmic-time search with linear space complexity. The indices of our data structure can be used to search by standard comparisons and hence allow easy retrofitting to existing database management systems. We implemented our scheme and show that its search time overhead is only 10 milliseconds compared to non-secure search.
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Hyperfine state entanglement of spinor BEC and scattering atom
Condensate of spin-1 atoms frozen in a unique spatial mode may possess large internal degrees of freedom. The scattering amplitudes of polarized cold atoms scattered by the condensate are obtained with the method of fractional parentage coefficients that treats the spin degrees of freedom rigorously. Channels with scattering cross sections enhanced by square of atom number of the condensate are found. Entanglement between the condensate and the propagating atom can be established by the scattering. The entanglement entropy is analytically obtained for arbitrary initial states. Our results also give hint for the establishment of quantum thermal ensembles in the hyperfine space.
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Making Neural Programming Architectures Generalize via Recursion
Empirically, neural networks that attempt to learn programs from data have exhibited poor generalizability. Moreover, it has traditionally been difficult to reason about the behavior of these models beyond a certain level of input complexity. In order to address these issues, we propose augmenting neural architectures with a key abstraction: recursion. As an application, we implement recursion in the Neural Programmer-Interpreter framework on four tasks: grade-school addition, bubble sort, topological sort, and quicksort. We demonstrate superior generalizability and interpretability with small amounts of training data. Recursion divides the problem into smaller pieces and drastically reduces the domain of each neural network component, making it tractable to prove guarantees about the overall system's behavior. Our experience suggests that in order for neural architectures to robustly learn program semantics, it is necessary to incorporate a concept like recursion.
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Bagged Empirical Null p-values: A Method to Account for Model Uncertainty in Large Scale Inference
When conducting large scale inference, such as genome-wide association studies or image analysis, nominal $p$-values are often adjusted to improve control over the family-wise error rate (FWER). When the majority of tests are null, procedures controlling the False discovery rate (Fdr) can be improved by replacing the theoretical global null with its empirical estimate. However, these other adjustment procedures remain sensitive to the working model assumption. Here we propose two key ideas to improve inference in this space. First, we propose $p$-values that are standardized to the empirical null distribution (instead of the theoretical null). Second, we propose model averaging $p$-values by bootstrap aggregation (Bagging) to account for model uncertainty and selection procedures. The combination of these two key ideas yields bagged empirical null $p$-values (BEN $p$-values) that often dramatically alter the rank ordering of significant findings. Moreover, we find that a multidimensional selection criteria based on BEN $p$-values and bagged model fit statistics is more likely to yield reproducible findings. A re-analysis of the famous Golub Leukemia data is presented to illustrate these ideas. We uncovered new findings in these data, not detected previously, that are backed by published bench work pre-dating the Gloub experiment. A pseudo-simulation using the leukemia data is also presented to explore the stability of this approach under broader conditions, and illustrates the superiority of the BEN $p$-values compared to the other approaches.
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Identifying Vessel Branching from Fluid Stresses on Microscopic Robots
Objects moving in fluids experience patterns of stress on their surfaces determined by the geometry of nearby boundaries. Flows at low Reynolds number, as occur in microscopic vessels such as capillaries in biological tissues, have relatively simple relations between stresses and nearby vessel geometry. Using these relations, this paper shows how a microscopic robot moving with such flows can use changes in stress on its surface to identify when it encounters vessel branches.
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Impact of Optimal Storage Allocation on Price Volatility in Electricity Markets
Recent studies show that the fast growing expansion of wind power generation may lead to extremely high levels of price volatility in wholesale electricity markets. Storage technologies, regardless of their specific forms e.g. pump-storage hydro, large-scale or distributed batteries, are capable of alleviating the extreme price volatility levels due to their energy usage time shifting, fast-ramping and price arbitrage capabilities. In this paper, we propose a stochastic bi-level optimization model to find the optimal nodal storage capacities required to achieve a certain price volatility level in a highly volatile electricity market. The decision on storage capacities is made in the upper level problem and the operation of strategic/regulated generation, storage and transmission players is modeled at the lower level problem using an extended Cournot-based stochastic game. The South Australia (SA) electricity market, which has recently experienced high levels of price volatility, is considered as the case study for the proposed storage allocation framework. Our numerical results indicate that 80% price volatility reduction in SA electricity market can be achieved by installing either 340 MWh regulated storage or 420 MWh strategic storage. In other words, regulated storage firms are more efficient in reducing the price volatility than strategic storage firms.
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An independent axiomatisation for free short-circuit logic
Short-circuit evaluation denotes the semantics of propositional connectives in which the second argument is evaluated only if the first argument does not suffice to determine the value of the expression. Free short-circuit logic is the equational logic in which compound statements are evaluated from left to right, while atomic evaluations are not memorised throughout the evaluation, i.e., evaluations of distinct occurrences of an atom in a compound statement may yield different truth values. We provide a simple semantics for free SCL and an independent axiomatisation. Finally, we discuss evaluation strategies, some other SCLs, and side effects.
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A Note on a Communication Game
We describe a communication game, and a conjecture about this game, whose proof would imply the well-known Sensitivity Conjecture asserting a polynomial relation between sensitivity and block sensitivity for Boolean functions. The author defined this game and observed the connection in Dec. 2013 - Jan. 2014. The game and connection were independently discovered by Gilmer, Koucký, and Saks, who also established further results about the game (not proved by us) and published their results in ITCS '15 [GKS15]. This note records our independent work, including some observations that did not appear in [GKS15]. Namely, the main conjecture about this communication game would imply not only the Sensitivity Conjecture, but also a stronger hypothesis raised by Chung, Füredi, Graham, and Seymour [CFGS88]; and, another related conjecture we pose about a "query-bounded" variant of our communication game would suffice to answer a question of Aaronson, Ambainis, Balodis, and Bavarian [AABB14] about the query complexity of the "Weak Parity" problem---a question whose resolution was previously shown by [AABB14] to follow from a proof of the Chung et al. hypothesis.
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Iteration of Quadratic Polynomials Over Finite Fields
For a finite field of odd cardinality $q$, we show that the sequence of iterates of $aX^2+c$, starting at $0$, always recurs after $O(q/\log\log q)$ steps. For $X^2+1$ the same is true for any starting value. We suggest that the traditional "Birthday Paradox" model is inappropriate for iterates of $X^3+c$, when $q$ is 2 mod 3.
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Constraints on the Growth and Spin of the Supermassive Black Hole in M32 From High Cadence Visible Light Observations
We present 1-second cadence observations of M32 (NGC221) with the CHIMERA instrument at the Hale 200-inch telescope of the Palomar Observatory. Using field stars as a baseline for relative photometry, we are able to construct a light curve of the nucleus in the g-prime and r-prime band with 1sigma=36 milli-mag photometric stability. We derive a temporal power spectrum for the nucleus and find no evidence for a time-variable signal above the noise as would be expected if the nuclear black hole were accreting gas. Thus, we are unable to constrain the spin of the black hole although future work will use this powerful instrument to target more actively accreting black holes. Given the black hole mass of (2.5+/-0.5)*10^6 Msun inferred from stellar kinematics, the absence of a contribution from a nuclear time-variable signal places an upper limit on the accretion rate which is 4.6*10^{-8} of the Eddington rate, a factor of two more stringent than past upper limits from HST. The low mass of the black hole despite the high stellar density suggests that the gas liberated by stellar interactions was primarily at early cosmic times when the low-mass black hole had a small Eddington luminosity. This is at least partly driven by a top-heavy stellar initial mass function at early cosmic times which is an efficient producer of stellar mass black holes. The implication is that supermassive black holes likely arise from seeds formed through the coalescence of 3-100 Msun mass black holes that then accrete gas produced through stellar interaction processes.
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Sampling for Approximate Bipartite Network Projection
Bipartite networks manifest as a stream of edges that represent transactions, e.g., purchases by retail customers. Many machine learning applications employ neighborhood-based measures to characterize the similarity among the nodes, such as the pairwise number of common neighbors (CN) and related metrics. While the number of node pairs that share neighbors is potentially enormous, only a relatively small proportion of them have many common neighbors. This motivates finding a weighted sampling approach to preferentially sample these node pairs. This paper presents a new sampling algorithm that provides a fixed size unbiased estimate of the similarity matrix resulting from a bipartite graph stream projection. The algorithm has two components. First, it maintains a reservoir of sampled bipartite edges with sampling weights that favor selection of high similarity nodes. Second, arriving edges generate a stream of \textsl{similarity updates} based on their adjacency with the current sample. These updates are aggregated in a second reservoir sample-based stream aggregator to yield the final unbiased estimate. Experiments on real world graphs show that a 10% sample at each stage yields estimates of high similarity edges with weighted relative errors of about 1%.
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Navigate, Understand, Communicate: How Developers Locate Performance Bugs
Background: Performance bugs can lead to severe issues regarding computation efficiency, power consumption, and user experience. Locating these bugs is a difficult task because developers have to judge for every costly operation whether runtime is consumed necessarily or unnecessarily. Objective: We wanted to investigate how developers, when locating performance bugs, navigate through the code, understand the program, and communicate the detected issues. Method: We performed a qualitative user study observing twelve developers trying to fix documented performance bugs in two open source projects. The developers worked with a profiling and analysis tool that visually depicts runtime information in a list representation and embedded into the source code view. Results: We identified typical navigation strategies developers used for pinpointing the bug, for instance, following method calls based on runtime consumption. The integration of visualization and code helped developers to understand the bug. Sketches visualizing data structures and algorithms turned out to be valuable for externalizing and communicating the comprehension process for complex bugs. Conclusion: Fixing a performance bug is a code comprehension and navigation problem. Flexible navigation features based on executed methods and a close integration of source code and performance information support the process.
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MEXIT: Maximal un-coupling times for stochastic processes
Classical coupling constructions arrange for copies of the \emph{same} Markov process started at two \emph{different} initial states to become equal as soon as possible. In this paper, we consider an alternative coupling framework in which one seeks to arrange for two \emph{different} Markov (or other stochastic) processes to remain equal for as long as possible, when started in the \emph{same} state. We refer to this "un-coupling" or "maximal agreement" construction as \emph{MEXIT}, standing for "maximal exit". After highlighting the importance of un-coupling arguments in a few key statistical and probabilistic settings, we develop an explicit \MEXIT construction for stochastic processes in discrete time with countable state-space. This construction is generalized to random processes on general state-space running in continuous time, and then exemplified by discussion of \MEXIT for Brownian motions with two different constant drifts.
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Learning Effective Changes for Software Projects
The primary motivation of much of software analytics is decision making. How to make these decisions? Should one make decisions based on lessons that arise from within a particular project? Or should one generate these decisions from across multiple projects? This work is an attempt to answer these questions. Our work was motivated by a realization that much of the current generation software analytics tools focus primarily on prediction. Indeed prediction is a useful task, but it is usually followed by "planning" about what actions need to be taken. This research seeks to address the planning task by seeking methods that support actionable analytics that offer clear guidance on what to do. Specifically, we propose XTREE and BELLTREE algorithms for generating a set of actionable plans within and across projects. Each of these plans, if followed will improve the quality of the software project.
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Aggregating multiple types of complex data in stock market prediction: A model-independent framework
The increasing richness in volume, and especially types of data in the financial domain provides unprecedented opportunities to understand the stock market more comprehensively and makes the price prediction more accurate than before. However, they also bring challenges to classic statistic approaches since those models might be constrained to a certain type of data. Aiming at aggregating differently sourced information and offering type-free capability to existing models, a framework for predicting stock market of scenarios with mixed data, including scalar data, compositional data (pie-like) and functional data (curve-like), is established. The presented framework is model-independent, as it serves like an interface to multiple types of data and can be combined with various prediction models. And it is proved to be effective through numerical simulations. Regarding to price prediction, we incorporate the trading volume (scalar data), intraday return series (functional data), and investors' emotions from social media (compositional data) through the framework to competently forecast whether the market goes up or down at opening in the next day. The strong explanatory power of the framework is further demonstrated. Specifically, it is found that the intraday returns impact the following opening prices differently between bearish market and bullish market. And it is not at the beginning of the bearish market but the subsequent period in which the investors' "fear" comes to be indicative. The framework would help extend existing prediction models easily to scenarios with multiple types of data and shed light on a more systemic understanding of the stock market.
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Deep Multi-View Spatial-Temporal Network for Taxi Demand Prediction
Taxi demand prediction is an important building block to enabling intelligent transportation systems in a smart city. An accurate prediction model can help the city pre-allocate resources to meet travel demand and to reduce empty taxis on streets which waste energy and worsen the traffic congestion. With the increasing popularity of taxi requesting services such as Uber and Didi Chuxing (in China), we are able to collect large-scale taxi demand data continuously. How to utilize such big data to improve the demand prediction is an interesting and critical real-world problem. Traditional demand prediction methods mostly rely on time series forecasting techniques, which fail to model the complex non-linear spatial and temporal relations. Recent advances in deep learning have shown superior performance on traditionally challenging tasks such as image classification by learning the complex features and correlations from large-scale data. This breakthrough has inspired researchers to explore deep learning techniques on traffic prediction problems. However, existing methods on traffic prediction have only considered spatial relation (e.g., using CNN) or temporal relation (e.g., using LSTM) independently. We propose a Deep Multi-View Spatial-Temporal Network (DMVST-Net) framework to model both spatial and temporal relations. Specifically, our proposed model consists of three views: temporal view (modeling correlations between future demand values with near time points via LSTM), spatial view (modeling local spatial correlation via local CNN), and semantic view (modeling correlations among regions sharing similar temporal patterns). Experiments on large-scale real taxi demand data demonstrate effectiveness of our approach over state-of-the-art methods.
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Interstellar communication. VII. Benchmarking inscribed matter probes
We have explored the optimal frequency of interstellar photon communications and benchmarked other particles as information carriers in previous papers of this series. We now compare the latency and bandwidth of sending probes with inscribed matter. Durability requirements such as shields against dust and radiation, as well as data duplication, add negligible weight overhead at velocities <0.2c. Probes may arrive in full, while most of a photon beam is lost to diffraction. Probes can be more energy efficient per bit, and can have higher bandwidth, compared to classical communication, unless a photon receiver is placed in a stellar gravitational lens. The probe's advantage dominates by order of magnitude for long distances (kpc) and low velocities (<0.1c) at the cost of higher latency.
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A description length approach to determining the number of k-means clusters
We present an asymptotic criterion to determine the optimal number of clusters in k-means. We consider k-means as data compression, and propose to adopt the number of clusters that minimizes the estimated description length after compression. Here we report two types of compression ratio based on two ways to quantify the description length of data after compression. This approach further offers a way to evaluate whether clusters obtained with k-means have a hierarchical structure by examining whether multi-stage compression can further reduce the description length. We applied our criteria to determine the number of clusters to synthetic data and empirical neuroimaging data to observe the behavior of the criteria across different types of data set and suitability of the two types of criteria for different datasets. We found that our method can offer reasonable clustering results that are useful for dimension reduction. While our numerical results revealed dependency of our criteria on the various aspects of dataset such as the dimensionality, the description length approach proposed here provides a useful guidance to determine the number of clusters in a principled manner when underlying properties of the data are unknown and only inferred from observation of data.
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Complementary legs and rational balls
In this note we study the Seifert rational homology spheres with two complementary legs, i.e. with a pair of invariants whose fractions add up to one. We give a complete classification of the Seifert manifolds with 3 exceptional fibers and two complementary legs which bound rational homology balls. The result translates in a statement on the sliceness of some Montesinos knots.
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Gravitational Waves from Stellar Black Hole Binaries and the Impact on Nearby Sun-like Stars
We investigate the impact of resonant gravitational waves on quadrupole acoustic modes of Sun-like stars located nearby stellar black hole binary systems (such as GW150914 and GW151226). We find that the stimulation of the low-overtone modes by gravitational radiation can lead to sizeable photometric amplitude variations, much larger than the predictions for amplitudes driven by turbulent convection, which in turn are consistent with the photometric amplitudes observed in most Sun-like stars. For accurate stellar evolution models, using up-to-date stellar physics, we predict photometric amplitude variations of $1$ -- $10^3$ ppm for a solar mass star located at a distance between 1 au and 10 au from the black hole binary, and belonging to the same multi-star system. The observation of such a phenomenon will be within the reach of the Plato mission because telescope will observe several portions of the Milky Way, many of which are regions of high stellar density with a substantial mixed population of Sun-like stars and black hole binaries.
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Search for Exoplanets around Northern Circumpolar Stars- II. The Detection of Radial Velocity Variations in M Giant Stars HD 36384, HD 52030, and HD 208742
We present the detection of long-period RV variations in HD 36384, HD 52030, and HD 208742 by using the high-resolution, fiber-fed Bohyunsan Observatory Echelle Spectrograph (BOES) for the precise radial velocity (RV) survey of about 200 northern circumpolar stars. Analyses of RV data, chromospheric activity indicators, and bisector variations spanning about five years suggest that the RV variations are compatible with planet or brown dwarf companions in Keplerian motion. However, HD 36384 shows photometric variations with a period very close to that of RV variations as well as amplitude variations in the weighted wavelet Z-transform (WWZ) analysis, which argues that the RV variations in HD~36384 are from the stellar pulsations. Assuming that the companion hypothesis is correct, HD~52030 hosts a companion with minimum mass 13.3 M_Jup$ orbiting in 484 days at a distance of 1.2 AU. HD~208742 hosts a companion of 14.0 M_Jup at 1.5 AU with a period of 602 days. All stars are located at the asymptotic giant branch (AGB) stage on the H-R diagram after undergone the helium flash and left the giant clump.With stellar radii of 53.0 R_Sun and 57.2 R_Sun for HD 52030 and HD 208742, respectively, these stars may be the largest yet, in terms of stellar radius, found to host sub-stellar companions. However, given possible RV amplitude variations and the fact that these are highly evolved stars the planet hypothesis is not yet certain.
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Measuring Item Similarity in Introductory Programming: Python and Robot Programming Case Studies
A personalized learning system needs a large pool of items for learners to solve. When working with a large pool of items, it is useful to measure the similarity of items. We outline a general approach to measuring the similarity of items and discuss specific measures for items used in introductory programming. Evaluation of quality of similarity measures is difficult. To this end, we propose an evaluation approach utilizing three levels of abstraction. We illustrate our approach to measuring similarity and provide evaluation using items from three diverse programming environments.
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Term Models of Horn Clauses over Rational Pavelka Predicate Logic
This paper is a contribution to the study of the universal Horn fragment of predicate fuzzy logics, focusing on the proof of the existence of free models of theories of Horn clauses over Rational Pavelka predicate logic. We define the notion of a term structure associated to every consistent theory T over Rational Pavelka predicate logic and we prove that the term models of T are free on the class of all models of T. Finally, it is shown that if T is a set of Horn clauses, the term structure associated to T is a model of T.
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Galaxy Rotation and Supermassive Black Hole Binary Evolution
Supermassive black hole (SMBH) binaries residing at the core of merging galaxies are recently found to be strongly affected by the rotation of their host galaxies. The highly eccentric orbits that form when the host is counterrotating emit strong bursts of gravitational waves that propel rapid SMBH binary coalescence. Most prior work, however, focused on planar orbits and a uniform rotation profile, an unlikely interaction configuration. However, the coupling between rotation and SMBH binary evolution appears to be such a strong dynamical process that it warrants further investigation. This study uses direct N-body simulations to isolate the effect of galaxy rotation in more realistic interactions. In particular, we systematically vary the SMBH orbital plane with respect to the galaxy rotation axis, the radial extent of the rotating component, and the initial eccentricity of the SMBH binary orbit. We find that the initial orbital plane orientation and eccentricity alone can change the inspiral time by an order of magnitude. Because SMBH binary inspiral and merger is such a loud gravitational wave source, these studies are critical for the future gravitational wave detector, LISA, an ESA/NASA mission currently set to launch by 2034.
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A Formal Approach to Exploiting Multi-Stage Attacks based on File-System Vulnerabilities of Web Applications (Extended Version)
Web applications require access to the file-system for many different tasks. When analyzing the security of a web application, secu- rity analysts should thus consider the impact that file-system operations have on the security of the whole application. Moreover, the analysis should take into consideration how file-system vulnerabilities might in- teract with other vulnerabilities leading an attacker to breach into the web application. In this paper, we first propose a classification of file- system vulnerabilities, and then, based on this classification, we present a formal approach that allows one to exploit file-system vulnerabilities. We give a formal representation of web applications, databases and file- systems, and show how to reason about file-system vulnerabilities. We also show how to combine file-system vulnerabilities and SQL-Injection vulnerabilities for the identification of complex, multi-stage attacks. We have developed an automatic tool that implements our approach and we show its efficiency by discussing several real-world case studies, which are witness to the fact that our tool can generate, and exploit, complex attacks that, to the best of our knowledge, no other state-of-the-art-tool for the security of web applications can find.
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Bit Fusion: Bit-Level Dynamically Composable Architecture for Accelerating Deep Neural Networks
Fully realizing the potential of acceleration for Deep Neural Networks (DNNs) requires understanding and leveraging algorithmic properties. This paper builds upon the algorithmic insight that bitwidth of operations in DNNs can be reduced without compromising their classification accuracy. However, to prevent accuracy loss, the bitwidth varies significantly across DNNs and it may even be adjusted for each layer. Thus, a fixed-bitwidth accelerator would either offer limited benefits to accommodate the worst-case bitwidth requirements, or lead to a degradation in final accuracy. To alleviate these deficiencies, this work introduces dynamic bit-level fusion/decomposition as a new dimension in the design of DNN accelerators. We explore this dimension by designing Bit Fusion, a bit-flexible accelerator, that constitutes an array of bit-level processing elements that dynamically fuse to match the bitwidth of individual DNN layers. This flexibility in the architecture enables minimizing the computation and the communication at the finest granularity possible with no loss in accuracy. We evaluate the benefits of BitFusion using eight real-world feed-forward and recurrent DNNs. The proposed microarchitecture is implemented in Verilog and synthesized in 45 nm technology. Using the synthesis results and cycle accurate simulation, we compare the benefits of Bit Fusion to two state-of-the-art DNN accelerators, Eyeriss and Stripes. In the same area, frequency, and process technology, BitFusion offers 3.9x speedup and 5.1x energy savings over Eyeriss. Compared to Stripes, BitFusion provides 2.6x speedup and 3.9x energy reduction at 45 nm node when BitFusion area and frequency are set to those of Stripes. Scaling to GPU technology node of 16 nm, BitFusion almost matches the performance of a 250-Watt Titan Xp, which uses 8-bit vector instructions, while BitFusion merely consumes 895 milliwatts of power.
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Multiple Access Wiretap Channel with Noiseless Feedback
The physical layer security in the up-link of the wireless communication systems is often modeled as the multiple access wiretap channel (MAC-WT), and recently it has received a lot attention. In this paper, the MAC-WT has been re-visited by considering the situation that the legitimate receiver feeds his received channel output back to the transmitters via two noiseless channels, respectively. This model is called the MAC-WT with noiseless feedback. Inner and outer bounds on the secrecy capacity region of this feedback model are provided. To be specific, we first present a decode-and-forward (DF) inner bound on the secrecy capacity region of this feedback model, and this bound is constructed by allowing each transmitter to decode the other one's transmitted message from the feedback, and then each transmitter uses the decoded message to re-encode his own messages, i.e., this DF inner bound allows the independent transmitters to co-operate with each other. Then, we provide a hybrid inner bound which is strictly larger than the DF inner bound, and it is constructed by using the feedback as a tool not only to allow the independent transmitters to co-operate with each other, but also to generate two secret keys respectively shared between the legitimate receiver and the two transmitters. Finally, we give a sato-type outer bound on the secrecy capacity region of this feedback model. The results of this paper are further explained via a Gaussian example.
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Inter-Subject Analysis: Inferring Sparse Interactions with Dense Intra-Graphs
We develop a new modeling framework for Inter-Subject Analysis (ISA). The goal of ISA is to explore the dependency structure between different subjects with the intra-subject dependency as nuisance. It has important applications in neuroscience to explore the functional connectivity between brain regions under natural stimuli. Our framework is based on the Gaussian graphical models, under which ISA can be converted to the problem of estimation and inference of the inter-subject precision matrix. The main statistical challenge is that we do not impose sparsity constraint on the whole precision matrix and we only assume the inter-subject part is sparse. For estimation, we propose to estimate an alternative parameter to get around the non-sparse issue and it can achieve asymptotic consistency even if the intra-subject dependency is dense. For inference, we propose an "untangle and chord" procedure to de-bias our estimator. It is valid without the sparsity assumption on the inverse Hessian of the log-likelihood function. This inferential method is general and can be applied to many other statistical problems, thus it is of independent theoretical interest. Numerical experiments on both simulated and brain imaging data validate our methods and theory.
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Impact of surface functionalisation on the quantum coherence of nitrogen vacancy centres in nanodiamond
Nanoscale quantum probes such as the nitrogen-vacancy centre in diamond have demonstrated remarkable sensing capabilities over the past decade as control over the fabrication and manipulation of these systems has evolved. However, as the size of these nanoscale quantum probes is reduced, the surface termination of the host material begins to play a prominent role as a source of magnetic and electric field noise. In this work, we show that borane-reduced nanodiamond surfaces can on average double the spin relaxation time of individual nitrogen-vacancy centres in nanodiamonds when compared to the thermally oxidised surfaces. Using a combination of infra-red and x-ray absorption spectroscopy techniques, we correlate the changes in quantum relaxation rates with the conversion of sp2 carbon to C-O and C-H bonds on the diamond surface. These findings implicate double-bonded carbon species as a dominant source of spin noise for near surface NV centres and show that through tailored engineering of the surface, we can improve the quantum properties and magnetic sensitivity of these nanoscale probes.
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Nesterov's Acceleration For Approximate Newton
Optimization plays a key role in machine learning. Recently, stochastic second-order methods have attracted much attention due to their low computational cost in each iteration. However, these algorithms might perform poorly especially if it is hard to approximate the Hessian well and efficiently. As far as we know, there is no effective way to handle this problem. In this paper, we resort to Nesterov's acceleration technique to improve the convergence performance of a class of second-order methods called approximate Newton. We give a theoretical analysis that Nesterov's acceleration technique can improve the convergence performance for approximate Newton just like for first-order methods. We accordingly propose an accelerated regularized sub-sampled Newton. Our accelerated algorithm performs much better than the original regularized sub-sampled Newton in experiments, which validates our theory empirically. Besides, the accelerated regularized sub-sampled Newton has good performance comparable to or even better than classical algorithms.
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Coverage Centrality Maximization in Undirected Networks
Centrality metrics are among the main tools in social network analysis. Being central for a user of a network leads to several benefits to the user: central users are highly influential and play key roles within the network. Therefore, the optimization problem of increasing the centrality of a network user recently received considerable attention. Given a network and a target user $v$, the centrality maximization problem consists in creating $k$ new links incident to $v$ in such a way that the centrality of $v$ is maximized, according to some centrality metric. Most of the algorithms proposed in the literature are based on showing that a given centrality metric is monotone and submodular with respect to link addition. However, this property does not hold for several shortest-path based centrality metrics if the links are undirected. In this paper we study the centrality maximization problem in undirected networks for one of the most important shortest-path based centrality measures, the coverage centrality. We provide several hardness and approximation results. We first show that the problem cannot be approximated within a factor greater than $1-1/e$, unless $P=NP$, and, under the stronger gap-ETH hypothesis, the problem cannot be approximated within a factor better than $1/n^{o(1)}$, where $n$ is the number of users. We then propose two greedy approximation algorithms, and show that, by suitably combining them, we can guarantee an approximation factor of $\Omega(1/\sqrt{n})$. We experimentally compare the solutions provided by our approximation algorithm with optimal solutions computed by means of an exact IP formulation. We show that our algorithm produces solutions that are very close to the optimum.
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Color difference makes a difference: four planet candidates around tau Ceti
The removal of noise typically correlated in time and wavelength is one of the main challenges for using the radial velocity method to detect Earth analogues. We analyze radial velocity data of tau Ceti and find robust evidence for wavelength dependent noise. We find this noise can be modeled by a combination of moving average models and "differential radial velocities". We apply this noise model to various radial velocity data sets for tau Ceti, and find four periodic signals at 20.0, 49.3, 160 and 642 d which we interpret as planets. We identify two new signals with orbital periods of 20.0 and 49.3 d while the other two previously suspected signals around 160 and 600 d are quantified to a higher precision. The 20.0 d candidate is independently detected in KECK data. All planets detected in this work have minimum masses less than 4$M_\oplus$ with the two long period ones located around the inner and outer edges of the habitable zone, respectively. We find that the instrumental noise gives rise to a precision limit of the HARPS around 0.2 m/s. We also find correlation between the HARPS data and the central moments of the spectral line profile at around 0.5 m/s level, although these central moments may contain both noise and signals. The signals detected in this work have semi-amplitudes as low as 0.3 m/s, demonstrating the ability of the radial velocity technique to detect relatively weak signals.
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Recurrent Deep Embedding Networks for Genotype Clustering and Ethnicity Prediction
The understanding of variations in genome sequences assists us in identifying people who are predisposed to common diseases, solving rare diseases, and finding the corresponding population group of the individuals from a larger population group. Although classical machine learning techniques allow researchers to identify groups (i.e. clusters) of related variables, the accuracy, and effectiveness of these methods diminish for large and high-dimensional datasets such as the whole human genome. On the other hand, deep neural network architectures (the core of deep learning) can better exploit large-scale datasets to build complex models. In this paper, we use the K-means clustering approach for scalable genomic data analysis aiming towards clustering genotypic variants at the population scale. Finally, we train a deep belief network (DBN) for predicting the geographic ethnicity. We used the genotype data from the 1000 Genomes Project, which covers the result of genome sequencing for 2504 individuals from 26 different ethnic origins and comprises 84 million variants. Our experimental results, with a focus on accuracy and scalability, show the effectiveness and superiority compared to the state-of-the-art.
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Measuring and avoiding side effects using relative reachability
How can we design reinforcement learning agents that avoid causing unnecessary disruptions to their environment? We argue that current approaches to penalizing side effects can introduce bad incentives in tasks that require irreversible actions, and in environments that contain sources of change other than the agent. For example, some approaches give the agent an incentive to prevent any irreversible changes in the environment, including the actions of other agents. We introduce a general definition of side effects, based on relative reachability of states compared to a default state, that avoids these undesirable incentives. Using a set of gridworld experiments illustrating relevant scenarios, we empirically compare relative reachability to penalties based on existing definitions and show that it is the only penalty among those tested that produces the desired behavior in all the scenarios.
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Neural State Classification for Hybrid Systems
We introduce the State Classification Problem (SCP) for hybrid systems, and present Neural State Classification (NSC) as an efficient solution technique. SCP generalizes the model checking problem as it entails classifying each state $s$ of a hybrid automaton as either positive or negative, depending on whether or not $s$ satisfies a given time-bounded reachability specification. This is an interesting problem in its own right, which NSC solves using machine-learning techniques, Deep Neural Networks in particular. State classifiers produced by NSC tend to be very efficient (run in constant time and space), but may be subject to classification errors. To quantify and mitigate such errors, our approach comprises: i) techniques for certifying, with statistical guarantees, that an NSC classifier meets given accuracy levels; ii) tuning techniques, including a novel technique based on adversarial sampling, that can virtually eliminate false negatives (positive states classified as negative), thereby making the classifier more conservative. We have applied NSC to six nonlinear hybrid system benchmarks, achieving an accuracy of 99.25% to 99.98%, and a false-negative rate of 0.0033 to 0, which we further reduced to 0.0015 to 0 after tuning the classifier. We believe that this level of accuracy is acceptable in many practical applications, and that these results demonstrate the promise of the NSC approach.
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Optimization of Tree Ensembles
Tree ensemble models such as random forests and boosted trees are among the most widely used and practically successful predictive models in applied machine learning and business analytics. Although such models have been used to make predictions based on exogenous, uncontrollable independent variables, they are increasingly being used to make predictions where the independent variables are controllable and are also decision variables. In this paper, we study the problem of tree ensemble optimization: given a tree ensemble that predicts some dependent variable using controllable independent variables, how should we set these variables so as to maximize the predicted value? We formulate the problem as a mixed-integer optimization problem. We theoretically examine the strength of our formulation, provide a hierarchy of approximate formulations with bounds on approximation quality and exploit the structure of the problem to develop two large-scale solution methods, one based on Benders decomposition and one based on iteratively generating tree split constraints. We test our methodology on real data sets, including two case studies in drug design and customized pricing, and show that our methodology can efficiently solve large-scale instances to near or full optimality, and outperforms solutions obtained by heuristic approaches. In our drug design case, we show how our approach can identify compounds that efficiently trade-off predicted performance and novelty with respect to existing, known compounds. In our customized pricing case, we show how our approach can efficiently determine optimal store-level prices under a random forest model that delivers excellent predictive accuracy.
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Equations of state for real gases on the nuclear scale
The formalism to augment the classical models of equation of state for real gases with the quantum statistical effects is presented. It allows an arbitrary excluded volume procedure to model repulsive interactions, and an arbitrary density-dependent mean field to model attractive interactions. Variations on the excluded volume mechanism include van der Waals (VDW) and Carnahan-Starling models, while the mean fields are based on VDW, Redlich-Kwong-Soave, Peng-Robinson, and Clausius equations of state. The VDW parameters of the nucleon-nucleon interaction are fitted in each model to the properties of the ground state of nuclear matter, and the following range of values is obtained: $a = 330 - 430$ MeV fm$^3$ and $b = 2.5 - 4.4$ fm$^3$. In the context of the excluded-volume approach, the fits to the nuclear ground state disfavor the values of the effective hard-core radius of a nucleon significantly smaller than $0.5$ fm, at least for the nuclear matter region of the phase diagram. Modifications to the standard VDW repulsion and attraction terms allow to improve significantly the value of the nuclear incompressibility factor $K_0$, bringing it closer to empirical estimates. The generalization to include the baryon-baryon interactions into the hadron resonance gas model is performed. The behavior of the baryon-related lattice QCD observables at zero chemical potential is shown to be strongly correlated to the nuclear matter properties: an improved description of the nuclear incompressibility also yields an improved description of the lattice data at $\mu = 0$.
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Born Again Neural Networks
Knowledge distillation (KD) consists of transferring knowledge from one machine learning model (the teacher}) to another (the student). Commonly, the teacher is a high-capacity model with formidable performance, while the student is more compact. By transferring knowledge, one hopes to benefit from the student's compactness. %we desire a compact model with performance close to the teacher's. We study KD from a new perspective: rather than compressing models, we train students parameterized identically to their teachers. Surprisingly, these {Born-Again Networks (BANs), outperform their teachers significantly, both on computer vision and language modeling tasks. Our experiments with BANs based on DenseNets demonstrate state-of-the-art performance on the CIFAR-10 (3.5%) and CIFAR-100 (15.5%) datasets, by validation error. Additional experiments explore two distillation objectives: (i) Confidence-Weighted by Teacher Max (CWTM) and (ii) Dark Knowledge with Permuted Predictions (DKPP). Both methods elucidate the essential components of KD, demonstrating a role of the teacher outputs on both predicted and non-predicted classes. We present experiments with students of various capacities, focusing on the under-explored case where students overpower teachers. Our experiments show significant advantages from transferring knowledge between DenseNets and ResNets in either direction.
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Exploit Kits: The production line of the Cybercrime Economy
The annual cost of Cybercrime to the global economy is estimated to be around 400 billion dollar in support of which Exploit Kits have been providing enabling technology.This paper reviews the recent developments in Exploit Kit capability and how these are being applied in practice.In doing so it paves the way for better understanding of the exploit kits economy that may better help in combatting them and considers industry preparedness to respond.
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Helicity locking in light emitted from a plasmonic nanotaper
Surface plasmon waves carry an intrinsic transverse spin, which is locked to its propagation direction. Apparently, when a singular plasmonic mode is guided on a conic surface this spin-locking may lead to a strong circular polarization of the far-field emission. Specifically, an adiabatically tapered gold nanocone guides an a priori excited plasmonic vortex upwards where the mode accelerates and finally beams out from the tip apex. The helicity of this beam is shown to be single-handed and stems solely from the transverse spin-locking of the helical plasmonic wave-front. We present a simple geometric model that fully predicts the emerging light spin in our system. Finally we experimentally demonstrate the helicity-locking phenomenon by using accurately fabricated nanostructures and confirm the results with the model and numerical data.
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Declarative Statistics
In this work we introduce declarative statistics, a suite of declarative modelling tools for statistical analysis. Statistical constraints represent the key building block of declarative statistics. First, we introduce a range of relevant counting and matrix constraints and associated decompositions, some of which novel, that are instrumental in the design of statistical constraints. Second, we introduce a selection of novel statistical constraints and associated decompositions, which constitute a self-contained toolbox that can be used to tackle a wide range of problems typically encountered by statisticians. Finally, we deploy these statistical constraints to a wide range of application areas drawn from classical statistics and we contrast our framework against established practices.
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Description of CRESST-II data
In Phase 2 of CRESST-II 18 detector modules were operated for about two years (July 2013 - August 2015). Together with this document we are publishing data from two detector modules which have been used for direct dark-matter searches. With these data-sets we were able to set world-leading limits on the cross section for spin-independent elastic scattering of dark matter particles off nuclei. We publish the energies of all events within the acceptance regions for dark-matter searches. In addition, we also publish the energies of the events within the electron-recoil band. This data set can be used to study interactions with electrons of CaWO$_4$. In this document we describe how to use these data sets. In particular, we explain the cut-survival probabilities required for comparisons of models with the data sets.
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ABC of ladder operators for rationally extended quantum harmonic oscillator systems
The problem of construction of ladder operators for rationally extended quantum harmonic oscillator (REQHO) systems of a general form is investigated in the light of existence of different schemes of the Darboux-Crum-Krein-Adler transformations by which such systems can be generated from the quantum harmonic oscillator. Any REQHO system is characterized by the number of separated states in its spectrum, the number of `valence bands' in which the separated states are organized, and by the total number of the missing energy levels and their position. All these peculiarities of a REQHO system are shown to be detected and reflected by a trinity $(\mathcal{A}^\pm$, $\mathcal{B}^\pm$, $\mathcal{C}^\pm$) of the basic (primary) lowering and raising ladder operators related between themselves by certain algebraic identities with coefficients polynomially-dependent on the Hamiltonian. We show that all the secondary, higher-order ladder operators are obtainable by a composition of the basic ladder operators of the trinity which form the set of the spectrum-generating operators. Each trinity, in turn, can be constructed from the intertwining operators of the two complementary minimal schemes of the Darboux-Crum-Krein-Adler transformations.
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On permutation-invariance of limit theorems
By a classical principle of probability theory, sufficiently thin subsequences of general sequences of random variables behave like i.i.d.\ sequences. This observation not only explains the remarkable properties of lacunary trigonometric series, but also provides a powerful tool in many areas of analysis, such the theory of orthogonal series and Banach space theory. In contrast to i.i.d.\ sequences, however, the probabilistic structure of lacunary sequences is not permutation-invariant and the analytic properties of such sequences can change after rearrangement. In a previous paper we showed that permutation-invariance of subsequences of the trigonometric system and related function systems is connected with Diophantine properties of the index sequence. In this paper we will study permutation-invariance of subsequences of general r.v.\ sequences.
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Superconductivity at 33 - 37 K in $ALn_2$Fe$_4$As$_4$O$_2$ ($A$ = K and Cs; $Ln$ = Lanthanides)
We have synthesized 10 new iron oxyarsenides, K$Ln_2$Fe$_4$As$_4$O$_2$ ($Ln$ = Gd, Tb, Dy, and Ho) and Cs$Ln_2$Fe$_4$As$_4$O$_2$ ($Ln$ = Nd, Sm, Gd, Tb, Dy, and Ho), with the aid of lattice-match [between $A$Fe$_2$As$_2$ ($A$ = K and Cs) and $Ln$FeAsO] approach. The resultant compounds possess hole-doped conducting double FeAs layers, [$A$Fe$_4$As$_4$]$^{2-}$, that are separated by the insulating [$Ln_2$O$_2$]$^{2+}$ slabs. Measurements of electrical resistivity and dc magnetic susceptibility demonstrate bulk superconductivity at $T_\mathrm{c}$ = 33 - 37 K. We find that $T_\mathrm{c}$ correlates with the axis ratio $c/a$ for all 12442-type superconductors discovered. Also, $T_\mathrm{c}$ tends to increase with the lattice mismatch, implying a role of lattice instability for the enhancement of superconductivity.
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Live Visualization of GUI Application Code Coverage with GUITracer
The present paper introduces the initial implementation of a software exploration tool targeting graphical user interface (GUI) driven applications. GUITracer facilitates the comprehension of GUI-driven applications by starting from their most conspicuous artefact - the user interface itself. The current implementation of the tool can be used with any Java-based target application that employs one of the AWT, Swing or SWT toolkits. The tool transparently instruments the target application and provides real time information about the GUI events fired. For each event, call relations within the application are displayed at method, class or package level, together with detailed coverage information. The tool facilitates feature location, program comprehension as well as GUI test creation by revealing the link between the application's GUI and its underlying code. As such, GUITracer is intended for software practitioners developing or maintaining GUI-driven applications. We believe our tool to be especially useful for entry-level practitioners as well as students seeking to understand complex GUI-driven software systems. The present paper details the rationale as well as the technical implementation of the tool. As a proof-of-concept implementation, we also discuss further development that can lead to our tool's integration into a software development workflow.
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3D Simulation of Electron and Ion Transmission of GEM-based Detectors
Time Projection Chamber (TPC) has been chosen as the main tracking system in several high-flux and high repetition rate experiments. These include on-going experiments such as ALICE and future experiments such as PANDA at FAIR and ILC. Different $\mathrm{R}\&\mathrm{D}$ activities were carried out on the adoption of Gas Electron Multiplier (GEM) as the gas amplification stage of the ALICE-TPC upgrade version. The requirement of low ion feedback has been established through these activities. Low ion feedback minimizes distortions due to space charge and maintains the necessary values of detector gain and energy resolution. In the present work, Garfield simulation framework has been used to study the related physical processes occurring within single, triple and quadruple GEM detectors. Ion backflow and electron transmission of quadruple GEMs, made up of foils with different hole pitch under different electromagnetic field configurations (the projected solutions for the ALICE TPC) have been studied. Finally a new triple GEM detector configuration with low ion backflow fraction and good electron transmission properties has been proposed as a simpler GEM-based alternative suitable for TPCs for future collider experiments.
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Witt and Cohomological Invariants of Witt Classes
We classify all invariants of the functor $I^n$ (powers of the fundamental ideal of the Witt ring) with values in $A$, that it to say functions $I^n(K)\rightarrow A(K)$ compatible with field extensions, in the cases where $A(K)=W(K)$ is the Witt ring and $A(K)=H^*(K,\mu_2)$ is mod 2 Galois cohomology. This is done in terms of some invariants $f_n^d$ that behave like divided powers with respect to sums of Pfister forms, and we show that any invariant of $I^n$ can be written uniquely as a (possibly infinite) combination of those $f_n^d$. This in particular allows to lift operations defined on mod 2 Milnor K-theory (or equivalently mod 2 Galois cohomology) to the level of $I^n$. We also study various properties of these invariants, including behaviour under products, similitudes, residues for discrete valuations, and restriction from $I^n$ to $I^{n+1}$. The goal is to use this to study invariants of algebras with involutions in future articles.
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The Cooperative Output Regulation Problem of Discrete-Time Linear Multi-Agent Systems by the Adaptive Distributed Observer
In this paper, we first present an adaptive distributed observer for a discrete-time leader system. This adaptive distributed observer will provide, to each follower, not only the estimation of the leader's signal, but also the estimation of the leader's system matrix. Then, based on the estimation of the matrix S, we devise a discrete adaptive algorithm to calculate the solution to the regulator equations associated with each follower, and obtain an estimated feedforward control gain. Finally, we solve the cooperative output regulation problem for discrete-time linear multi-agent systems by both state feedback and output feedback adaptive distributed control laws utilizing the adaptive distributed observer.
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Preferred traces on C*-algebras of self-similar groupoids arising as fixed points
Recent results of Laca, Raeburn, Ramagge and Whittaker show that any self-similar action of a groupoid on a graph determines a 1-parameter family of self-mappings of the trace space of the groupoid C*-algebra. We investigate the fixed points for these self-mappings, under the same hypotheses that Laca et al. used to prove that the C*-algebra of the self-similar action admits a unique KMS state. We prove that for any value of the parameter, the associated self-mapping admits a unique fixed point, which is in fact a universal attractor. This fixed point is precisely the trace that extends to a KMS state on the C*-algebra of the self-similar action.
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Tool Breakage Detection using Deep Learning
In manufacture, steel and other metals are mainly cut and shaped during the fabrication process by computer numerical control (CNC) machines. To keep high productivity and efficiency of the fabrication process, engineers need to monitor the real-time process of CNC machines, and the lifetime management of machine tools. In a real manufacturing process, breakage of machine tools usually happens without any indication, this problem seriously affects the fabrication process for many years. Previous studies suggested many different approaches for monitoring and detecting the breakage of machine tools. However, there still exists a big gap between academic experiments and the complex real fabrication processes such as the high demands of real-time detections, the difficulty in data acquisition and transmission. In this work, we use the spindle current approach to detect the breakage of machine tools, which has the high performance of real-time monitoring, low cost, and easy to install. We analyze the features of the current of a milling machine spindle through tools wearing processes, and then we predict the status of tool breakage by a convolutional neural network(CNN). In addition, we use a BP neural network to understand the reliability of the CNN. The results show that our CNN approach can detect tool breakage with an accuracy of 93%, while the best performance of BP is 80%.
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Continuous Learning in Single-Incremental-Task Scenarios
It was recently shown that architectural, regularization and rehearsal strategies can be used to train deep models sequentially on a number of disjoint tasks without forgetting previously acquired knowledge. However, these strategies are still unsatisfactory if the tasks are not disjoint but constitute a single incremental task (e.g., class-incremental learning). In this paper we point out the differences between multi-task and single-incremental-task scenarios and show that well-known approaches such as LWF, EWC and SI are not ideal for incremental task scenarios. A new approach, denoted as AR1, combining architectural and regularization strategies is then specifically proposed. AR1 overhead (in term of memory and computation) is very small thus making it suitable for online learning. When tested on CORe50 and iCIFAR-100, AR1 outperformed existing regularization strategies by a good margin.
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Diagonal Rescaling For Neural Networks
We define a second-order neural network stochastic gradient training algorithm whose block-diagonal structure effectively amounts to normalizing the unit activations. Investigating why this algorithm lacks in robustness then reveals two interesting insights. The first insight suggests a new way to scale the stepsizes, clarifying popular algorithms such as RMSProp as well as old neural network tricks such as fanin stepsize scaling. The second insight stresses the practical importance of dealing with fast changes of the curvature of the cost.
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Dynamic Bernoulli Embeddings for Language Evolution
Word embeddings are a powerful approach for unsupervised analysis of language. Recently, Rudolph et al. (2016) developed exponential family embeddings, which cast word embeddings in a probabilistic framework. Here, we develop dynamic embeddings, building on exponential family embeddings to capture how the meanings of words change over time. We use dynamic embeddings to analyze three large collections of historical texts: the U.S. Senate speeches from 1858 to 2009, the history of computer science ACM abstracts from 1951 to 2014, and machine learning papers on the Arxiv from 2007 to 2015. We find dynamic embeddings provide better fits than classical embeddings and capture interesting patterns about how language changes.
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Homotopy Decompositions of Gauge Groups over Real Surfaces
We analyse the homotopy types of gauge groups of principal U(n)-bundles associated to pseudo Real vector bundles in the sense of Atiyah. We provide satisfactory homotopy decompositions of these gauge groups into factors in which the homotopy groups are well known. Therefore, we substantially build upon the low dimensional homotopy groups as provided in a paper by I. Biswas, J. Huisman, and J. Hurtubise.
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W-algebras associated to surfaces
We define an integral form of the deformed W-algebra of type gl_r, and construct its action on the K-theory groups of moduli spaces of rank r stable sheaves on a smooth projective surface S, under certain assumptions. Our construction generalizes the action studied by Nakajima, Grojnowski and Baranovsky in cohomology, although the appearance of deformed W-algebras by generators and relations is a new feature. Physically, this action encodes the AGT correspondence for 5d supersymmetric gauge theory on S x circle.
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Comparing Classical and Relativistic Kinematics in First-Order Logic
The aim of this paper is to present a new logic-based understanding of the connection between classical kinematics and relativistic kinematics. We show that the axioms of special relativity can be interpreted in the language of classical kinematics. This means that there is a logical translation function from the language of special relativity to the language of classical kinematics which translates the axioms of special relativity into consequences of classical kinematics. We will also show that if we distinguish a class of observers (representing observers stationary with respect to the "Ether") in special relativity and exclude the non-slower-than light observers from classical kinematics by an extra axiom, then the two theories become definitionally equivalent (i.e., they become equivalent theories in the sense as the theory of lattices as algebraic structures is the same as the theory of lattices as partially ordered sets). Furthermore, we show that classical kinematics is definitionally equivalent to classical kinematics with only slower-than-light inertial observers, and hence by transitivity of definitional equivalence that special relativity theory extended with "Ether" is definitionally equivalent to classical kinematics. So within an axiomatic framework of mathematical logic, we explicitly show that the transition from classical kinematics to relativistic kinematics is the knowledge acquisition that there is no "Ether", accompanied by a redefinition of the concepts of time and space.
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Anomalous Acoustic Plasmon Mode from Topologically Protected States
Plasmons, the collective excitations of electrons in the bulk or at the surface, play an important role in the properties of materials, and have generated the field of Plasmonics. We report the observation of a highly unusual acoustic plasmon mode on the surface of a three-dimensional topological insulator (TI), Bi2Se3, using momentum resolved inelastic electron scattering. In sharp contrast to ordinary plasmon modes, this mode exhibits almost linear dispersion into the second Brillouin zone and remains prominent with remarkably weak damping not seen in any other systems. This behavior must be associated with the inherent robustness of the electrons in the TI surface state, so that not only the surface Dirac states but also their collective excitations are topologically protected. On the other hand, this mode has much smaller energy dispersion than expected from a continuous media excitation picture, which can be attributed to the strong coupling with surface phonons.
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Klein-Gordonization: mapping superintegrable quantum mechanics to resonant spacetimes
We describe a procedure naturally associating relativistic Klein-Gordon equations in static curved spacetimes to non-relativistic quantum motion on curved spaces in the presence of a potential. Our procedure is particularly attractive in application to (typically, superintegrable) problems whose energy spectrum is given by a quadratic function of the energy level number, since for such systems the spacetimes one obtains possess evenly spaced, resonant spectra of frequencies for scalar fields of a certain mass. This construction emerges as a generalization of the previously studied correspondence between the Higgs oscillator and Anti-de Sitter spacetime, which has been useful for both understanding weakly nonlinear dynamics in Anti-de Sitter spacetime and algebras of conserved quantities of the Higgs oscillator. Our conversion procedure ("Klein-Gordonization") reduces to a nonlinear elliptic equation closely reminiscent of the one emerging in relation to the celebrated Yamabe problem of differential geometry. As an illustration, we explicitly demonstrate how to apply this procedure to superintegrable Rosochatius systems, resulting in a large family of spacetimes with resonant spectra for massless wave equations.
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Towards Gene Expression Convolutions using Gene Interaction Graphs
We study the challenges of applying deep learning to gene expression data. We find experimentally that there exists non-linear signal in the data, however is it not discovered automatically given the noise and low numbers of samples used in most research. We discuss how gene interaction graphs (same pathway, protein-protein, co-expression, or research paper text association) can be used to impose a bias on a deep model similar to the spatial bias imposed by convolutions on an image. We explore the usage of Graph Convolutional Neural Networks coupled with dropout and gene embeddings to utilize the graph information. We find this approach provides an advantage for particular tasks in a low data regime but is very dependent on the quality of the graph used. We conclude that more work should be done in this direction. We design experiments that show why existing methods fail to capture signal that is present in the data when features are added which clearly isolates the problem that needs to be addressed.
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Density-Functional Theory Study of the Optoelectronic Properties of π-Conjugated Copolymers for Organic Light-Emitting Diodes
Novel low-band-gap copolymer oligomers are proposed on the basis of density functional theory (DFT) quantum chemical calculations of photophysical properties. These molecules have an electron donor-accepter (D-A) architecture involving poly(3-hexylthiophene-2,5-diyl) (P3HT) as D units and furan, aniline, or hydroquinone as A units. Structural parameters, electronic properties, highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps and molecular orbital densities are predicted. The charge transfer process between the D unit and the A unit one is supported by analyzing the optical absorption spectra of the compounds and the localization of the HOMO and LUMO.
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Accurate ranking of influential spreaders in networks based on dynamically asymmetric link-impact
We propose an efficient and accurate measure for ranking spreaders and identifying the influential ones in spreading processes in networks. While the edges determine the connections among the nodes, their specific role in spreading should be considered explicitly. An edge connecting nodes i and j may differ in its importance for spreading from i to j and from j to i. The key issue is whether node j, after infected by i through the edge, would reach out to other nodes that i itself could not reach directly. It becomes necessary to invoke two unequal weights wij and wji characterizing the importance of an edge according to the neighborhoods of nodes i and j. The total asymmetric directional weights originating from a node leads to a novel measure si which quantifies the impact of the node in spreading processes. A s-shell decomposition scheme further assigns a s-shell index or weighted coreness to the nodes. The effectiveness and accuracy of rankings based on si and the weighted coreness are demonstrated by applying them to nine real-world networks. Results show that they generally outperform rankings based on the nodes' degree and k-shell index, while maintaining a low computational complexity. Our work represents a crucial step towards understanding and controlling the spread of diseases, rumors, information, trends, and innovations in networks.
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Learning Multimodal Transition Dynamics for Model-Based Reinforcement Learning
In this paper we study how to learn stochastic, multimodal transition dynamics in reinforcement learning (RL) tasks. We focus on evaluating transition function estimation, while we defer planning over this model to future work. Stochasticity is a fundamental property of many task environments. However, discriminative function approximators have difficulty estimating multimodal stochasticity. In contrast, deep generative models do capture complex high-dimensional outcome distributions. First we discuss why, amongst such models, conditional variational inference (VI) is theoretically most appealing for model-based RL. Subsequently, we compare different VI models on their ability to learn complex stochasticity on simulated functions, as well as on a typical RL gridworld with multimodal dynamics. Results show VI successfully predicts multimodal outcomes, but also robustly ignores these for deterministic parts of the transition dynamics. In summary, we show a robust method to learn multimodal transitions using function approximation, which is a key preliminary for model-based RL in stochastic domains.
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Publication Trends in Physics Education: A Bibliometric study
A publication trend in Physics Education by employing bibliometric analysis leads the researchers to describe current scientific movement. This paper tries to answer "What do Physics education scientists concentrate in their publications?" by analyzing the productivity and development of publications on the subject category of Physics Education in the period 1980--2013. The Web of Science databases in the research areas of "EDUCATION - EDUCATIONAL RESEARCH" was used to extract the publication trends. The study involves 1360 publications, including 840 articles, 503 proceedings paper, 22 reviews, 7 editorial material, 6 Book review, and one Biographical item. Number of publications with "Physical Education" in topic increased from 0.14 % (n = 2) in 1980 to 16.54 % (n = 225) in 2011. Total number of receiving citations is 8071, with approximately citations per papers of 5.93. The results show the publication and citations in Physic Education has increased dramatically while the Malaysian share is well ranked.
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Unveiling Swarm Intelligence with Network Science$-$the Metaphor Explained
Self-organization is a natural phenomenon that emerges in systems with a large number of interacting components. Self-organized systems show robustness, scalability, and flexibility, which are essential properties when handling real-world problems. Swarm intelligence seeks to design nature-inspired algorithms with a high degree of self-organization. Yet, we do not know why swarm-based algorithms work well and neither we can compare the different approaches in the literature. The lack of a common framework capable of characterizing these several swarm-based algorithms, transcending their particularities, has led to a stream of publications inspired by different aspects of nature without much regard as to whether they are similar to already existing approaches. We address this gap by introducing a network-based framework$-$the interaction network$-$to examine computational swarm-based systems via the optics of social dynamics. We discuss the social dimension of several swarm classes and provide a case study of the Particle Swarm Optimization. The interaction network enables a better understanding of the plethora of approaches currently available by looking at them from a general perspective focusing on the structure of the social interactions.
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Sphere geometry and invariants
A finite abstract simplicial complex G defines two finite simple graphs: the Barycentric refinement G1, connecting two simplices if one is a subset of the other and the connection graph G', connecting two simplices if they intersect. We prove that the Poincare-Hopf value i(x)=1-X(S(x)), where X is Euler characteristics and S(x) is the unit sphere of a vertex x in G1, agrees with the Green function value g(x,x),the diagonal element of the inverse of (1+A'), where A' is the adjacency matrix of G'. By unimodularity, det(1+A') is the product of parities (-1)^dim(x) of simplices in G, the Fredholm matrix 1+A' is in GL(n,Z), where n is the number of simplices in G. We show that the set of possible unit sphere topologies in G1 is a combinatorial invariant of the complex G. So, also the Green function range of G is a combinatorial invariant. To prove the invariance of the unit sphere topology we use that all unit spheres in G1 decompose as a join of a stable and unstable part. The join operation + renders the category X of simplicial complexes into a monoid, where the empty complex is the 0 element and the cone construction adds 1. The augmented Grothendieck group (X,+,0) contains the graph and sphere monoids (Graphs, +,0) and (Spheres,+,0). The Poincare-Hopf functionals i(G) as well as the volume are multiplicative functions on (X,+). For the sphere group, both i(G) as well as Fredholm characteristic are characters. The join + can be augmented with a product * so that we have a commutative ring (X,+,0,*,1)for which there are both additive and multiplicative primes and which contains as a subring of signed complete complexes isomorphic to the integers (Z,+,0,*,1). We also look at the spectrum of the Laplacian of the join of two graphs. Both for addition + and multiplication *, one can ask whether unique prime factorization holds.
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Chaos and thermalization in small quantum systems
Chaos and ergodicity are the cornerstones of statistical physics and thermodynamics. While classically even small systems like a particle in a two-dimensional cavity, can exhibit chaotic behavior and thereby relax to a microcanonical ensemble, quantum systems formally can not. Recent theoretical breakthroughs and, in particular, the eigenstate thermalization hypothesis (ETH) however indicate that quantum systems can also thermalize. In fact ETH provided us with a framework connecting microscopic models and macroscopic phenomena, based on the notion of highly entangled quantum states. Such thermalization was beautifully demonstrated experimentally by A. Kaufman et. al. who studied relaxation dynamics of a small lattice system of interacting bosonic particles. By directly measuring the entanglement entropy of subsystems, as well as other observables, they showed that after the initial transient time the system locally relaxes to a thermal ensemble while globally maintaining a zero-entropy pure state.
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Index Search Algorithms for Databases and Modern CPUs
Over the years, many different indexing techniques and search algorithms have been proposed, including CSS-trees, CSB+ trees, k-ary binary search, and fast architecture sensitive tree search. There have also been papers on how best to set the many different parameters of these index structures, such as the node size of CSB+ trees. These indices have been proposed because CPU speeds have been increasing at a dramatically higher rate than memory speeds, giving rise to the Von Neumann CPU--Memory bottleneck. To hide the long latencies caused by memory access, it has become very important to well-utilize the features of modern CPUs. In order to drive down the average number of CPU clock cycles required to execute CPU instructions, and thus increase throughput, it has become important to achieve a good utilization of CPU resources. Some of these are the data and instruction caches, and the translation lookaside buffers. But it also has become important to avoid branch misprediction penalties, and utilize vectorization provided by CPUs in the form of SIMD instructions. While the layout of index structures has been heavily optimized for the data cache of modern CPUs, the instruction cache has been neglected so far. In this paper, we present NitroGen, a framework for utilizing code generation for speeding up index traversal in main memory database systems. By bringing together data and code, we make index structures use the dormant resource of the instruction cache. We show how to combine index compilation with previous approaches, such as binary tree search, cache-sensitive tree search, and the architecture-sensitive tree search presented by Kim et al.
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Bounding the Radius of Convergence of Analytic Functions
Contour integration is a crucial technique in many numeric methods of interest in physics ranging from differentiation to evaluating functions of matrices. It is often important to determine whether a given contour contains any poles or branch cuts, either to make use of these features or to avoid them. A special case of this problem is that of determining or bounding the radius of convergence of a function, as this provides a known circle around a point in which a function remains analytic. We describe a method for determining whether or not a circular contour of a complex-analytic function contains any poles. We then build on this to produce a robust method for bounding the radius of convergence of a complex-analytic function.
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An Efficient Algorithm for the Multicomponent Compressible Navier-Stokes Equations in Low- and High-Mach Number Regimes
The goal of this study is to develop an efficient numerical algorithm applicable to a wide range of compressible multicomponent flows. Although many highly efficient algorithms have been proposed for simulating each type of the flows, the construction of a universal solver is known to be challenging. Extreme cases, such as incompressible and highly compressible flows, or inviscid and highly viscous flows, require different numerical treatments in order to maintain the efficiency, stability, and accuracy of the method. Linearized block implicit (LBI) factored schemes are known to provide an efficient way of solving the compressible Navier-Stokes equations implicitly, allowing us to avoid stability restrictions at low Mach number and high viscosity. However, the methods' splitting error has been shown to grow and dominate physical fluxes as the Mach number goes to zero. In this paper, a splitting error reduction technique is proposed to solve the issue. A novel finite element shock-capturing algorithm, proposed by Guermond and Popov, is reformulated in terms of finite differences, extended to the stiffened gas equation of state (SG EOS) and combined with the LBI factored scheme to stabilize the method around flow discontinuities at high Mach numbers. A novel stabilization term is proposed for low Mach number applications. The resulting algorithm is shown to be efficient in both low and high Mach number regimes. The algorithm is extended to the multicomponent case using an interface capturing strategy with surface tension as a continuous surface force. Numerical tests are presented to verify the performance and stability properties for a wide range of flows.
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Goldstone-like phonon modes in a (111)-strained perovskite
Goldstone modes are massless particles resulting from spontaneous symmetry breaking. Although such modes are found in elementary particle physics as well as in condensed matter systems like superfluid helium, superconductors and magnons - structural Goldstone modes are rare. Epitaxial strain in thin films can induce structures and properties not accessible in bulk and has been intensively studied for (001)-oriented perovskite oxides. Here we predict Goldstone-like phonon modes in (111)-strained SrMnO3 by first-principles calculations. Under compressive strain the coupling between two in-plane rotational instabilities give rise to a Mexican hat shaped energy surface characteristic of a Goldstone mode. Conversely, large tensile strain induces in-plane polar instabilities with no directional preference, giving rise to a continuous polar ground state. Such phonon modes with U(1) symmetry could emulate structural condensed matter Higgs modes. The mass of this Higgs boson, given by the shape of the Mexican hat energy surface, can be tuned by strain through proper choice of substrate.
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Estimating Heterogeneous Causal Effects in the Presence of Irregular Assignment Mechanisms
This paper provides a link between causal inference and machine learning techniques - specifically, Classification and Regression Trees (CART) - in observational studies where the receipt of the treatment is not randomized, but the assignment to the treatment can be assumed to be randomized (irregular assignment mechanism). The paper contributes to the growing applied machine learning literature on causal inference, by proposing a modified version of the Causal Tree (CT) algorithm to draw causal inference from an irregular assignment mechanism. The proposed method is developed by merging the CT approach with the instrumental variable framework to causal inference, hence the name Causal Tree with Instrumental Variable (CT-IV). As compared to CT, the main strength of CT-IV is that it can deal more efficiently with the heterogeneity of causal effects, as demonstrated by a series of numerical results obtained on synthetic data. Then, the proposed algorithm is used to evaluate a public policy implemented by the Tuscan Regional Administration (Italy), which aimed at easing the access to credit for small firms. In this context, CT-IV breaks fresh ground for target-based policies, identifying interesting heterogeneous causal effects.
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SUBIC: A Supervised Bi-Clustering Approach for Precision Medicine
Traditional medicine typically applies one-size-fits-all treatment for the entire patient population whereas precision medicine develops tailored treatment schemes for different patient subgroups. The fact that some factors may be more significant for a specific patient subgroup motivates clinicians and medical researchers to develop new approaches to subgroup detection and analysis, which is an effective strategy to personalize treatment. In this study, we propose a novel patient subgroup detection method, called Supervised Biclustring (SUBIC) using convex optimization and apply our approach to detect patient subgroups and prioritize risk factors for hypertension (HTN) in a vulnerable demographic subgroup (African-American). Our approach not only finds patient subgroups with guidance of a clinically relevant target variable but also identifies and prioritizes risk factors by pursuing sparsity of the input variables and encouraging similarity among the input variables and between the input and target variables
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Polarization leakage in epoch of reionization windows: III. Wide-field effects of narrow-field arrays
Leakage of polarized Galactic diffuse emission into total intensity can potentially mimic the 21-cm signal coming from the epoch of reionization (EoR), as both of them might have fluctuating spectral structure. Although we are sensitive to the EoR signal only in small fields of view, chromatic sidelobes from further away can contaminate the inner region. Here, we explore the effects of leakage into the 'EoR window' of the cylindrically averaged power spectra (PS) within wide fields of view using both observation and simulation of the 3C196 and NCP fields, two observing fields of the LOFAR-EoR project. We present the polarization PS of two one-night observations of the two fields and find that the NCP field has higher fluctuations along frequency, and consequently exhibits more power at high-$k_\parallel$ that could potentially leak to Stokes $I$. Subsequently, we simulate LOFAR observations of Galactic diffuse polarized emission based on a model to assess what fraction of polarized power leaks into Stokes $I$ because of the primary beam. We find that the rms fractional leakage over the instrumental $k$-space is $0.35\%$ in the 3C196 field and $0.27\%$ in the NCP field, and it does not change significantly within the diameters of $15^\circ$, $9^\circ$ and $4^\circ$. Based on the observed PS and simulated fractional leakage, we show that a similar level of leakage into Stokes $I$ is expected in the 3C196 and NCP fields, and the leakage can be considered to be a bias in the PS.
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Image Reconstruction using Matched Wavelet Estimated from Data Sensed Compressively using Partial Canonical Identity Matrix
This paper proposes a joint framework wherein lifting-based, separable, image-matched wavelets are estimated from compressively sensed (CS) images and used for the reconstruction of the same. Matched wavelet can be easily designed if full image is available. Also matched wavelet may provide better reconstruction results in CS application compared to standard wavelet sparsifying basis. Since in CS application, we have compressively sensed image instead of full image, existing methods of designing matched wavelet cannot be used. Thus, we propose a joint framework that estimates matched wavelet from the compressively sensed images and also reconstructs full images. This paper has three significant contributions. First, lifting-based, image-matched separable wavelet is designed from compressively sensed images and is also used to reconstruct the same. Second, a simple sensing matrix is employed to sample data at sub-Nyquist rate such that sensing and reconstruction time is reduced considerably without any noticeable degradation in the reconstruction performance. Third, a new multi-level L-Pyramid wavelet decomposition strategy is provided for separable wavelet implementation on images that leads to improved reconstruction performance. Compared to CS-based reconstruction using standard wavelets with Gaussian sensing matrix and with existing wavelet decomposition strategy, the proposed methodology provides faster and better image reconstruction in compressive sensing application.
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Python Implementation and Construction of Finite Abelian Groups
Here we present a working framework to establish finite abelian groups in python. The primary aim is to allow new A-level students to work with examples of finite abelian groups using open source software. We include the code used in the implementation of the framework. We also prove some useful results regarding finite abelian groups which are used to establish the functions and help show how number theoretic results can blend with computational power when studying algebra. The groups established are based modular multiplication and addition. We include direct products of cyclic groups meaning the user has access to all finite abelian groups.
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Near-Optimal Closeness Testing of Discrete Histogram Distributions
We investigate the problem of testing the equivalence between two discrete histograms. A {\em $k$-histogram} over $[n]$ is a probability distribution that is piecewise constant over some set of $k$ intervals over $[n]$. Histograms have been extensively studied in computer science and statistics. Given a set of samples from two $k$-histogram distributions $p, q$ over $[n]$, we want to distinguish (with high probability) between the cases that $p = q$ and $\|p-q\|_1 \geq \epsilon$. The main contribution of this paper is a new algorithm for this testing problem and a nearly matching information-theoretic lower bound. Specifically, the sample complexity of our algorithm matches our lower bound up to a logarithmic factor, improving on previous work by polynomial factors in the relevant parameters. Our algorithmic approach applies in a more general setting and yields improved sample upper bounds for testing closeness of other structured distributions as well.
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