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A general method to describe intersystem crossing dynamics in trajectory surface hopping
Intersystem crossing is a radiationless process that can take place in a molecule irradiated by UV-Vis light, thereby playing an important role in many environmental, biological and technological processes. This paper reviews different methods to describe intersystem crossing dynamics, paying attention to semiclassical trajectory theories, which are especially interesting because they can be applied to large systems with many degrees of freedom. In particular, a general trajectory surface hopping methodology recently developed by the authors, which is able to include non-adiabatic and spin-orbit couplings in excited-state dynamics simulations, is explained in detail. This method, termed SHARC, can in principle include any arbitrary coupling, what makes it generally applicable to photophysical and photochemical problems, also those including explicit laser fields. A step-by-step derivation of the main equations of motion employed in surface hopping based on the fewest-switches method of Tully, adapted for the inclusion of spin-orbit interactions, is provided. Special emphasis is put on describing the different possible choices of the electronic bases in which spin-orbit can be included in surface hopping, highlighting the advantages and inconsistencies of the different approaches.
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Generating Synthetic Data for Real World Detection of DoS Attacks in the IoT
Denial of service attacks are especially pertinent to the internet of things as devices have less computing power, memory and security mechanisms to defend against them. The task of mitigating these attacks must therefore be redirected from the device onto a network monitor. Network intrusion detection systems can be used as an effective and efficient technique in internet of things systems to offload computation from the devices and detect denial of service attacks before they can cause harm. However the solution of implementing a network intrusion detection system for internet of things networks is not without challenges due to the variability of these systems and specifically the difficulty in collecting data. We propose a model-hybrid approach to model the scale of the internet of things system and effectively train network intrusion detection systems. Through bespoke datasets generated by the model, the IDS is able to predict a wide spectrum of real-world attacks, and as demonstrated by an experiment construct more predictive datasets at a fraction of the time of other more standard techniques.
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A Data-driven Model for Interaction-aware Pedestrian Motion Prediction in Object Cluttered Environments
This paper reports on a data-driven, interaction-aware motion prediction approach for pedestrians in environments cluttered with static obstacles. When navigating in such workspaces shared with humans, robots need accurate motion predictions of the surrounding pedestrians. Human navigation behavior is mostly influenced by their surrounding pedestrians and by the static obstacles in their vicinity. In this paper we introduce a new model based on Long-Short Term Memory (LSTM) neural networks, which is able to learn human motion behavior from demonstrated data. To the best of our knowledge, this is the first approach using LSTMs, that incorporates both static obstacles and surrounding pedestrians for trajectory forecasting. As part of the model, we introduce a new way of encoding surrounding pedestrians based on a 1d-grid in polar angle space. We evaluate the benefit of interaction-aware motion prediction and the added value of incorporating static obstacles on both simulation and real-world datasets by comparing with state-of-the-art approaches. The results show, that our new approach outperforms the other approaches while being very computationally efficient and that taking into account static obstacles for motion predictions significantly improves the prediction accuracy, especially in cluttered environments.
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Performance study of SKIROC2 and SKIROC2A with BGA testboard
SKIROC2 is an ASIC to readout the silicon pad detectors for the electromagnetic calorimeter in the International Linear Collider. Characteristics of SKIROC2 and the new version of SKIROC2A, packaged with BGA, are measured with testboards and charge injection. The results on the signal-to-noise ratio of both trigger and ADC output, threshold tuning capability and timing resolution are presented.
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Priority effects between annual and perennial plants
Dominance by annual plants has traditionally been considered a brief early stage of ecological succession preceding inevitable dominance by competitive perennials. A more recent, alternative view suggests that interactions between annuals and perennials can result in priority effects, causing annual dominance to persist if they are initially more common. Such priority effects would complicate restoration of native perennial grasslands that have been invaded by exotic annuals. However, the conditions under which these priority effects occur remain unknown. Using a simple simulation model, we show that long-term (500 years) priority effects are possible as long as the plants have low fecundity and show an establishment-longevity tradeoff, with annuals having competitive advantage over perennial seedlings. We also show that short-term (up to 50 years) priority effects arise solely due to low fitness difference in cases where perennials dominate in the long term. These results provide a theoretical basis for predicting when restoration of annual-invaded grasslands requires active removal of annuals and timely reintroduction of perennials.
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Joining and decomposing reaction networks
In systems and synthetic biology, much research has focused on the behavior and design of single pathways, while, more recently, experimental efforts have focused on how cross-talk (coupling two or more pathways) or inhibiting molecular function (isolating one part of the pathway) affects systems-level behavior. However, the theory for tackling these larger systems in general has lagged behind. Here, we analyze how joining networks (e.g., cross-talk) or decomposing networks (e.g., inhibition or knock-outs) affects three properties that reaction networks may possess---identifiability (recoverability of parameter values from data), steady-state invariants (relationships among species concentrations at steady state, used in model selection), and multistationarity (capacity for multiple steady states, which correspond to multiple cell decisions). Specifically, we prove results that clarify, for a network obtained by joining two smaller networks, how properties of the smaller networks can be inferred from or can imply similar properties of the original network. Our proofs use techniques from computational algebraic geometry, including elimination theory and differential algebra.
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Evidence for structural damping in a high-stress silicon nitride nanobeam and its implications for quantum optomechanics
We resolve the thermal motion of a high-stress silicon nitride nanobeam at frequencies far below its fundamental flexural resonance (3.4 MHz) using cavity-enhanced optical interferometry. Over two decades, the displacement spectrum is well-modeled by that of a damped harmonic oscillator driven by a $1/f$ thermal force, suggesting that the loss angle of the beam material is frequency-independent. The inferred loss angle at 3.4 MHz, $\phi = 4.5\cdot 10^{-6}$, agrees well with the quality factor ($Q$) of the fundamental beam mode ($\phi = Q^{-1}$). In conjunction with $Q$ measurements made on higher order flexural modes, and accounting for the mode dependence of stress-induced loss dilution, we find that the intrinsic (undiluted) loss angle of the beam changes by less than a factor of 2 between 50 kHz and 50 MHz. We discuss the impact of such "structural damping" on experiments in quantum optomechanics, in which the thermal force acting on a mechanical oscillator coupled to an optical cavity is overwhelmed by radiation pressure shot noise. As an illustration, we show that structural damping reduces the bandwidth of ponderomotive squeezing.
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Efficient, sparse representation of manifold distance matrices for classical scaling
Geodesic distance matrices can reveal shape properties that are largely invariant to non-rigid deformations, and thus are often used to analyze and represent 3-D shapes. However, these matrices grow quadratically with the number of points. Thus for large point sets it is common to use a low-rank approximation to the distance matrix, which fits in memory and can be efficiently analyzed using methods such as multidimensional scaling (MDS). In this paper we present a novel sparse method for efficiently representing geodesic distance matrices using biharmonic interpolation. This method exploits knowledge of the data manifold to learn a sparse interpolation operator that approximates distances using a subset of points. We show that our method is 2x faster and uses 20x less memory than current leading methods for solving MDS on large point sets, with similar quality. This enables analyses of large point sets that were previously infeasible.
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A First Principle Study on Iron Substituted LiNi(BO3) to use as Cathode Material for Li-ion Batteries
In this work, the structural stability and the electronic properties of LiNiBO 3 and LiFe x Ni (1-x) BO 3 are studied using first principle calculations based on density functional theory. The calculated structural parameters are in good agreement with the available theoretical data. The most stable phases of the Fe substituted systems are predicted from the formation energy hull generated using the cluster expansion method. The 66% of Fe substitution at the Ni site gives the most stable structure among all the Fe substituted systems. The bonding mechanisms of the considered systems are discussed based on the density of states (DOS) and charge density plot. The detailed analysis of the stability, electronic structure, and the bonding mechanisms suggests that the systems can be a promising cathode material for Li ion battery applications.
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Noncommutative Knörrer type equivalences via noncommutative resolutions of singularities
We construct Knörrer type equivalences outside of the hypersurface case, namely, between singularity categories of cyclic quotient surface singularities and certain finite dimensional local algebras. This generalises Knörrer's equivalence for singularities of Dynkin type A (between Krull dimensions $2$ and $0$) and yields many new equivalences between singularity categories of finite dimensional algebras. Our construction uses noncommutative resolutions of singularities, relative singularity categories, and an idea of Hille & Ploog yielding strongly quasi-hereditary algebras which we describe explicitly by building on Wemyss's work on reconstruction algebras. Moreover, K-theory gives obstructions to generalisations of our main result.
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Torsion and K-theory for some free wreath products
We classify torsion actions of free wreath products of arbitrary compact quantum groups and use this to prove that if $\mathbb{G}$ is a torsion-free compact quantum group satisfying the strong Baum-Connes property, then $\mathbb{G}\wr_{\ast}S_{N}^{+}$ also satisfies the strong Baum-Connes property. We then compute the K-theory of free wreath products of classical and quantum free groups by $SO_{q}(3)$.
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High Dimensional Inference in Partially Linear Models
We propose two semiparametric versions of the debiased Lasso procedure for the model $Y_i = X_i\beta_0 + g_0(Z_i) + \epsilon_i$, where $\beta_0$ is high dimensional but sparse (exactly or approximately). Both versions are shown to have the same asymptotic normal distribution and do not require the minimal signal condition for statistical inference of any component in $\beta_0$. Our method also works when $Z_i$ is high dimensional provided that the function classes $E(X_{ij} |Z_i)$s and $E(Y_i|Z_i)$ belong to exhibit certain sparsity features, e.g., a sparse additive decomposition structure. We further develop a simultaneous hypothesis testing procedure based on multiplier bootstrap. Our testing method automatically takes into account of the dependence structure within the debiased estimates, and allows the number of tested components to be exponentially high.
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The Impact of Small-Cell Bandwidth Requirements on Strategic Operators
Small-cell deployment in licensed and unlicensed spectrum is considered to be one of the key approaches to cope with the ongoing wireless data demand explosion. Compared to traditional cellular base stations with large transmission power, small-cells typically have relatively low transmission power, which makes them attractive for some spectrum bands that have strict power regulations, for example, the 3.5GHz band [1]. In this paper we consider a heterogeneous wireless network consisting of one or more service providers (SPs). Each SP operates in both macro-cells and small-cells, and provides service to two types of users: mobile and fixed. Mobile users can only associate with macro-cells whereas fixed users can connect to either macro- or small-cells. The SP charges a price per unit rate for each type of service. Each SP is given a fixed amount of bandwidth and splits it between macro- and small-cells. Motivated by bandwidth regulations, such as those for the 3.5Gz band, we assume a minimum amount of bandwidth has to be set aside for small-cells. We study the optimal pricing and bandwidth allocation strategies in both monopoly and competitive scenarios. In the monopoly scenario the strategy is unique. In the competitive scenario there exists a unique Nash equilibrium, which depends on the regulatory constraints. We also analyze the social welfare achieved, and compare it to that without the small-cell bandwidth constraints. Finally, we discuss implications of our results on the effectiveness of the minimum bandwidth constraint on influencing small-cell deployments.
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Optimisation approach for the Monge-Ampere equation
This paper studies the numerical approximation of solution of the Dirichlet problem for the fully nonlinear Monge-Ampere equation. In this approach, we take the advantage of reformulation the Monge-Ampere problem as an optimization problem, to which we associate a well defined functional whose minimum provides us with the solution to the Monge-Ampere problem after resolving a Poisson problem by the finite element Galerkin method. We present some numerical examples, for which a good approximation is obtained in 68 iterations.
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Coupling parallel adaptive mesh refinement with a nonoverlapping domain decomposition solver
We study the effect of adaptive mesh refinement on a parallel domain decomposition solver of a linear system of algebraic equations. These concepts need to be combined within a parallel adaptive finite element software. A prototype implementation is presented for this purpose. It uses adaptive mesh refinement with one level of hanging nodes. Two and three-level versions of the Balancing Domain Decomposition based on Constraints (BDDC) method are used to solve the arising system of algebraic equations. The basic concepts are recalled and components necessary for the combination are studied in detail. Of particular interest is the effect of disconnected subdomains, a typical output of the employed mesh partitioning based on space-filling curves, on the convergence and solution time of the BDDC method. It is demonstrated using a large set of experiments that while both refined meshes and disconnected subdomains have a negative effect on the convergence of BDDC, the number of iterations remains acceptable. In addition, scalability of the three-level BDDC solver remains good on up to a few thousands of processor cores. The largest presented problem using adaptive mesh refinement has over 10^9 unknowns and is solved on 2048 cores.
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The Pragmatics of Indirect Commands in Collaborative Discourse
Today's artificial assistants are typically prompted to perform tasks through direct, imperative commands such as \emph{Set a timer} or \emph{Pick up the box}. However, to progress toward more natural exchanges between humans and these assistants, it is important to understand the way non-imperative utterances can indirectly elicit action of an addressee. In this paper, we investigate command types in the setting of a grounded, collaborative game. We focus on a less understood family of utterances for eliciting agent action, locatives like \emph{The chair is in the other room}, and demonstrate how these utterances indirectly command in specific game state contexts. Our work shows that models with domain-specific grounding can effectively realize the pragmatic reasoning that is necessary for more robust natural language interaction.
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The Dawn of the Post-Naturalness Era
In an imaginary conversation with Guido Altarelli, I express my views on the status of particle physics beyond the Standard Model and its future prospects.
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An effective likelihood-free approximate computing method with statistical inferential guarantees
Approximate Bayesian computing is a powerful likelihood-free method that has grown increasingly popular since early applications in population genetics. However, complications arise in the theoretical justification for Bayesian inference conducted from this method with a non-sufficient summary statistic. In this paper, we seek to re-frame approximate Bayesian computing within a frequentist context and justify its performance by standards set on the frequency coverage rate. In doing so, we develop a new computational technique called approximate confidence distribution computing, yielding theoretical support for the use of non-sufficient summary statistics in likelihood-free methods. Furthermore, we demonstrate that approximate confidence distribution computing extends the scope of approximate Bayesian computing to include data-dependent priors without damaging the inferential integrity. This data-dependent prior can be viewed as an initial `distribution estimate' of the target parameter which is updated with the results of the approximate confidence distribution computing method. A general strategy for constructing an appropriate data-dependent prior is also discussed and is shown to often increase the computing speed while maintaining statistical inferential guarantees. We supplement the theory with simulation studies illustrating the benefits of the proposed method, namely the potential for broader applications and the increased computing speed compared to the standard approximate Bayesian computing methods.
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The word and conjugacy problems in lacunary hyperbolic groups
We study the word and conjugacy problems in lacunary hyperbolic groups (briefly, LHG). In particular, we describe a necessary and sufficient condition for decidability of the word problem in LHG. Then, based on the graded small-cancellation theory of Olshanskii, we develop a general framework which allows us to construct lacunary hyperbolic groups with word and conjugacy problems highly controllable and flexible both in terms of computability and computational complexity. As an application, we show that for any recursively enumerable subset $\mathcal{L} \subseteq \mathcal{A}^*$, where $\mathcal{A}^*$ is the set of words over arbitrarily chosen non-empty finite alphabet $\mathcal{A}$, there exists a lacunary hyperbolic group $G_{\mathcal{L}}$ such that the membership problem for $ \mathcal{L}$ is `almost' linear time equivalent to the conjugacy problem in $G_{\mathcal{L}}$. Moreover, for the mentioned group the word and individual conjugacy problems are decidable in `almost' linear time. Another application is the construction of a lacunary hyperbolic group with `almost' linear time word problem and with all the individual conjugacy problems being undecidable except the word problem. As yet another application of the developed framework, we construct infinite verbally complete groups and torsion free Tarski monsters, i.e. infinite torsion-free groups all of whose proper subgroups are cyclic, with `almost' linear time word and polynomial time conjugacy problems. These groups are constructed as quotients of arbitrarily given non-elementary torsion-free hyperbolic groups and are lacunary hyperbolic. Finally, as a consequence of the main results, we answer a few open questions.
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Prediction of ultra-narrow Higgs resonance in magnon Bose-condensates
Higgs resonance modes in condensed matter systems are generally broad; meaning large decay widths or short relaxation times. This common feature has obscured and limited their observation to a select few systems. Contrary to this, the present work predicts that Higgs resonances in magnetic field induced, three-dimensional magnon Bose-condensates have vanishingly small decay widths. Specifically for parameters relating to TlCuCl$_3$, we find an energy ($\Delta_H$) to width ($\Gamma_H$) ratio $\Delta_H/\Gamma_H\sim500$, making this the narrowest predicted Higgs mode in a condensed matter system, some two orders of magnitude `narrower' than the sharpest condensed matter Higgs observed so far.
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Better Text Understanding Through Image-To-Text Transfer
Generic text embeddings are successfully used in a variety of tasks. However, they are often learnt by capturing the co-occurrence structure from pure text corpora, resulting in limitations of their ability to generalize. In this paper, we explore models that incorporate visual information into the text representation. Based on comprehensive ablation studies, we propose a conceptually simple, yet well performing architecture. It outperforms previous multimodal approaches on a set of well established benchmarks. We also improve the state-of-the-art results for image-related text datasets, using orders of magnitude less data.
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Two-sample instrumental variable analyses using heterogeneous samples
Instrumental variable analysis is a widely used method to estimate causal effects in the presence of unmeasured confounding. When the instruments, exposure and outcome are not measured in the same sample, Angrist and Krueger (1992) suggested to use two-sample instrumental variable (TSIV) estimators that use sample moments from an instrument-exposure sample and an instrument-outcome sample. However, this method is biased if the two samples are from heterogeneous populations so that the distributions of the instruments are different. In linear structural equation models, we derive a new class of TSIV estimators that are robust to heterogeneous samples under the key assumption that the structural relations in the two samples are the same. The widely used two-sample two-stage least squares estimator belongs to this class. It is generally not asymptotically efficient, although we find that it performs similarly to the optimal TSIV estimator in most practical situations. We then attempt to relax the linearity assumption. We find that, unlike one-sample analyses, the TSIV estimator is not robust to misspecified exposure model. Additionally, to nonparametrically identify the magnitude of the causal effect, the noise in the exposure must have the same distributions in the two samples. However, this assumption is in general untestable because the exposure is not observed in one sample. Nonetheless, we may still identify the sign of the causal effect in the absence of homogeneity of the noise.
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Combinatorial models for Schubert polynomials
Schubert polynomials are a basis for the polynomial ring that represent Schubert classes for the flag manifold. In this paper, we introduce and develop several new combinatorial models for Schubert polynomials that relate them to other known bases including key polynomials and fundamental slide polynomials. We unify these and existing models by giving simple bijections between the combinatorial objects indexing each. In particular, we give a simple bijective proof that the balanced tableaux of Edelman and Greene enumerate reduced expressions and a direct combinatorial proof of Kohnert's algorithm for computing Schubert polynomials. Further, we generalize the insertion algorithm of Edelman and Greene to give a bijection between reduced expressions and pairs of tableaux of the same key diagram shape and use this to give a simple formula, directly in terms of reduced expressions, for the key polynomial expansion of a Schubert polynomial.
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Phase-tunable Josephson thermal router
Since the the first studies of thermodynamics, heat transport has been a crucial element for the understanding of any thermal system. Quantum mechanics has introduced new appealing ingredients for the manipulation of heat currents, such as the long-range coherence of the superconducting condensate. The latter has been exploited by phase-coherent caloritronics, a young field of nanoscience, to realize Josephson heat interferometers, which can control electronic thermal currents as a function of the external magnetic flux. So far, only one output temperature has been modulated, while multi-terminal devices that allow to distribute the heat flux among different reservoirs are still missing. Here, we report the experimental realization of a phase-tunable thermal router able to control the heat transferred between two terminals residing at different temperatures. Thanks to the Josephson effect, our structure allows to regulate the thermal gradient between the output electrodes until reaching its inversion. Together with interferometers, heat diodes and thermal memories, the thermal router represents a fundamental step towards the thermal conversion of non-linear electronic devices, and the realization of caloritronic logic components.
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Topology Analysis of International Networks Based on Debates in the United Nations
In complex, high dimensional and unstructured data it is often difficult to extract meaningful patterns. This is especially the case when dealing with textual data. Recent studies in machine learning, information theory and network science have developed several novel instruments to extract the semantics of unstructured data, and harness it to build a network of relations. Such approaches serve as an efficient tool for dimensionality reduction and pattern detection. This paper applies semantic network science to extract ideological proximity in the international arena, by focusing on the data from General Debates in the UN General Assembly on the topics of high salience to international community. UN General Debate corpus (UNGDC) covers all high-level debates in the UN General Assembly from 1970 to 2014, covering all UN member states. The research proceeds in three main steps. First, Latent Dirichlet Allocation (LDA) is used to extract the topics of the UN speeches, and therefore semantic information. Each country is then assigned a vector specifying the exposure to each of the topics identified. This intermediate output is then used in to construct a network of countries based on information theoretical metrics where the links capture similar vectorial patterns in the topic distributions. Topology of the networks is then analyzed through network properties like density, path length and clustering. Finally, we identify specific topological features of our networks using the map equation framework to detect communities in our networks of countries.
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Solving the incompressible surface Navier-Stokes equation by surface finite elements
We consider a numerical approach for the incompressible surface Navier-Stokes equation on surfaces with arbitrary genus $g(\mathcal{S})$. The approach is based on a reformulation of the equation in Cartesian coordinates of the embedding $\mathbb{R}^3$, penalization of the normal component, a Chorin projection method and discretization in space by surface finite elements for each component. The approach thus requires only standard ingredients which most finite element implementations can offer. We compare computational results with discrete exterior calculus (DEC) simulations on a torus and demonstrate the interplay of the flow field with the topology by showing realizations of the Poincaré-Hopf theorem on $n$-tori.
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Exploring a potential energy surface by machine learning for characterizing atomic transport
We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for the atomic transport. The proposed method generates numerous random samples of the entire potential energy surface (PES) from a probabilistic Gaussian process model of the PES, which enables defining the likelihood of the dominant points. The robustness and efficiency of the method are demonstrated on a dozen model cases for proton diffusion in oxides, in comparison with a conventional nudge elastic band method.
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Products of random walks on finite groups with moderate growth
In this article, we consider products of random walks on finite groups with moderate growth and discuss their cutoffs in the total variation. Based on several comparison techniques, we are able to identify the total variation cutoff of discrete time lazy random walks with the Hellinger distance cutoff of continuous time random walks. Along with the cutoff criterion for Laplace transforms, we derive a series of equivalent conditions on the existence of cutoffs, including the existence of pre-cutoffs, Peres' product condition and a formula generated by the graph diameters. For illustration, we consider products of Heisenberg groups and randomized products of finite cycles.
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A Theoretical Analysis of Sparse Recovery Stability of Dantzig Selector and LASSO
Dantzig selector (DS) and LASSO problems have attracted plenty of attention in statistical learning, sparse data recovery and mathematical optimization. In this paper, we provide a theoretical analysis of the sparse recovery stability of these optimization problems in more general settings and from a new perspective. We establish recovery error bounds for these optimization problems under a mild assumption called weak range space property of a transposed design matrix. This assumption is less restrictive than the well known sparse recovery conditions such as restricted isometry property (RIP), null space property (NSP) or mutual coherence. In fact, our analysis indicates that this assumption is tight and cannot be relaxed for the standard DS problems in order to maintain their sparse recovery stability. As a result, a series of new stability results for DS and LASSO have been established under various matrix properties, including the RIP with constant $\delta_{2k}< 1/\sqrt{2}$ and the (constant-free) standard NSP of order $k.$ We prove that these matrix properties can yield an identical recovery error bound for DS and LASSO with stability coefficients being measured by the so-called Robinson's constant, instead of the conventional RIP or NSP constant. To our knowledge, this is the first time that the stability results with such a unified feature are established for DS and LASSO problems. Different from the standard analysis in this area of research, our analysis is carried out deterministically, and the key analytic tools used in our analysis include the error bound of linear systems due to Hoffman and Robinson and polytope approximation of symmetric convex bodies due to Barvinok.
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Input Perturbations for Adaptive Regulation and Learning
Design of adaptive algorithms for simultaneous regulation and estimation of MIMO linear dynamical systems is a canonical reinforcement learning problem. Efficient policies whose regret (i.e. increase in the cost due to uncertainty) scales at a square-root rate of time have been studied extensively in the recent literature. Nevertheless, existing strategies are computationally intractable and require a priori knowledge of key system parameters. The only exception is a randomized Greedy regulator, for which asymptotic regret bounds have been recently established. However, randomized Greedy leads to probable fluctuations in the trajectory of the system, which renders its finite time regret suboptimal. This work addresses the above issues by designing policies that utilize input signals perturbations. We show that perturbed Greedy guarantees non-asymptotic regret bounds of (nearly) square-root magnitude w.r.t. time. More generally, we establish high probability bounds on both the regret and the learning accuracy under arbitrary input perturbations. The settings where Greedy attains the information theoretic lower bound of logarithmic regret are also discussed. To obtain the results, state-of-the-art tools from martingale theory together with the recently introduced method of policy decomposition are leveraged. Beside adaptive regulators, analysis of input perturbations captures key applications including remote sensing and distributed control.
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Nearly circular domains which are integrable close to the boundary are ellipses
The Birkhoff conjecture says that the boundary of a strictly convex integrable billiard table is necessarily an ellipse. In this article, we consider a stronger notion of integrability, namely integrability close to the boundary, and prove a local version of this conjecture: a small perturbation of an ellipse of small eccentricity which preserves integrability near the boundary, is itself an ellipse. This extends the result in [1], where integrability was assumed on a larger set. In particular, it shows that (local) integrability near the boundary implies global integrability. One of the crucial ideas in the proof consists in analyzing Taylor expansion of the corresponding action-angle coordinates with respect to the eccentricity parameter, deriving and studying higher order conditions for the preservation of integrable rational caustics.
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Empirical study on social groups in pedestrian evacuation dynamics
Pedestrian crowds often include social groups, i.e. pedestrians that walk together because of social relationships. They show characteristic configurations and influence the dynamics of the entire crowd. In order to investigate the impact of social groups on evacuations we performed an empirical study with pupils. Several evacuation runs with groups of different sizes and different interactions were performed. New group parameters are introduced which allow to describe the dynamics of the groups and the configuration of the group members quantitatively. The analysis shows a possible decrease of evacuation times for large groups due to self-ordering effects. Social groups can be approximated as ellipses that orientate along their direction of motion. Furthermore, explicitly cooperative behaviour among group members leads to a stronger aggregation of group members and an intermittent way of evacuation.
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Capacity of the Aperture-Constrained AWGN Free-Space Communication Channel
In this paper, we derive upper and lower bounds as well as a simple closed-form approximation for the capacity of the continuous-time, bandlimited, additive white Gaussian noise channel in a three-dimensional free-space electromagnetic propagation environment subject to constraints on the total effective antenna aperture area of the link and a total transmitter power constraint. We assume that the communication range is much larger than the radius of the sphere containing the antennas at both ends of the link, and we show that, in general, the capacity can only be achieved by transmitting multiple spatially-multiplexed data streams simultaneously over the channel. Furthermore, the lower bound on capacity can be approached asymptotically by transmitting the data streams between a pair of physically-realizable distributed antenna arrays at either end of the link. A consequence of this result is that, in general, communication at close to the maximum achievable data rate on a deep-space communication link can be achieved in practice if and only if the communication system utilizes spatial multiplexing over a distributed MIMO antenna array. Such an approach to deep-space communication does not appear to be envisioned currently by any of the international space agencies or any commercial space companies. A second consequence is that the capacity of a long-range free-space communication link, if properly utilized, grows asymptotically as a function of the square root of the received SNR rather than only logarithmically in the received SNR.
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Quasiparticle entropy in superconductor/normal metal/superconductor proximity junctions in the diffusive limit
We discuss the quasiparticle entropy and heat capacity of a dirty superconductor-normal metal-superconductor junction. In the case of short junctions, the inverse proximity effect extending in the superconducting banks plays a crucial role in determining the thermodynamic quantities. In this case, commonly used approximations can violate thermodynamic relations between supercurrent and quasiparticle entropy. We provide analytical and numerical results as a function of different geometrical parameters. Quantitative estimates for the heat capacity can be relevant for the design of caloritronic devices or radiation sensor applications.
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A Kepler Study of Starspot Lifetimes with Respect to Light Curve Amplitude and Spectral Type
Wide-field high precision photometric surveys such as Kepler have produced reams of data suitable for investigating stellar magnetic activity of cooler stars. Starspot activity produces quasi-sinusoidal light curves whose phase and amplitude vary as active regions grow and decay over time. Here we investigate, firstly, whether there is a correlation between the size of starspots - assumed to be related to the amplitude of the sinusoid - and their decay timescale and, secondly, whether any such correlation depends on the stellar effective temperature. To determine this, we computed the autocorrelation functions of the light curves of samples of stars from Kepler and fitted them with apodised periodic functions. The light curve amplitudes, representing spot size were measured from the root-mean-squared scatter of the normalised light curves. We used a Monte Carlo Markov Chain to measure the periods and decay timescales of the light curves. The results show a correlation between the decay time of starspots and their inferred size. The decay time also depends strongly on the temperature of the star. Cooler stars have spots that last much longer, in particular for stars with longer rotational periods. This is consistent with current theories of diffusive mechanisms causing starspot decay. We also find that the Sun is not unusually quiet for its spectral type - stars with solar-type rotation periods and temperatures tend to have (comparatively) smaller starspots than stars with mid-G or later spectral types.
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Plasmon-Driven Acceleration in a Photo-Excited Nanotube
A plasmon-assisted channeling acceleration can be realized with a large channel, possibly at the nanometer scale. Carbon nanotubes (CNTs) are the most typical example of nano-channels that can confine a large number of channeled particles in a photon-plasmon coupling condition. This paper presents a theoretical and numerical study on the concept of high-field charge acceleration driven by photo-excited Luttinger-liquid plasmons (LLP) in a nanotube. An analytic description of the plasmon-assisted laser acceleration is detailed with practical acceleration parameters, in particular with specifications of a typical tabletop femtosecond laser system. The maximally achievable acceleration gradients and energy gains within dephasing lengths and CNT lengths are discussed with respect to laser-incident angles and CNT-filling ratios.
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Towards Evaluating Size Reduction Techniques for Software Model Checking
Formal verification techniques are widely used for detecting design flaws in software systems. Formal verification can be done by transforming an already implemented source code to a formal model and attempting to prove certain properties of the model (e.g. that no erroneous state can occur during execution). Unfortunately, transformations from source code to a formal model often yield large and complex models, making the verification process inefficient and costly. In order to reduce the size of the resulting model, optimization transformations can be used. Such optimizations include common algorithms known from compiler design and different program slicing techniques. Our paper describes a framework for transforming C programs to a formal model, enhanced by various optimizations for size reduction. We evaluate and compare several optimization algorithms regarding their effect on the size of the model and the efficiency of the verification. Results show that different optimizations are more suitable for certain models, justifying the need for a framework that includes several algorithms.
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Quantum-continuum simulation of underpotential deposition at electrified metal-solution interfaces
The underpotential deposition of transition metal ions is a critical step in many electrosynthetic approaches. While underpotential deposition has been intensively studied at the atomic level, first-principles calculations in vacuum can strongly underestimate the stability of underpotentially deposited metals. It has been shown recently that the consideration of co-adsorbed anions can deliver more reliable descriptions of underpotential deposition reactions; however, the influence of additional key environmental factors such as the electrification of the interface under applied voltage and the activities of the ions in solution have yet to be investigated. In this work, copper underpotential deposition on gold is studied under realistic electrochemical conditions using a quantum-continuum model of the electrochemical interface. We report here on the influence of surface electrification, concentration effects, and anion co-adsorption on the stability of the copper underpotential deposition layer on the gold (100) surface.
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Neural Expectation Maximization
Many real world tasks such as reasoning and physical interaction require identification and manipulation of conceptual entities. A first step towards solving these tasks is the automated discovery of distributed symbol-like representations. In this paper, we explicitly formalize this problem as inference in a spatial mixture model where each component is parametrized by a neural network. Based on the Expectation Maximization framework we then derive a differentiable clustering method that simultaneously learns how to group and represent individual entities. We evaluate our method on the (sequential) perceptual grouping task and find that it is able to accurately recover the constituent objects. We demonstrate that the learned representations are useful for next-step prediction.
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Gold Standard Online Debates Summaries and First Experiments Towards Automatic Summarization of Online Debate Data
Usage of online textual media is steadily increasing. Daily, more and more news stories, blog posts and scientific articles are added to the online volumes. These are all freely accessible and have been employed extensively in multiple research areas, e.g. automatic text summarization, information retrieval, information extraction, etc. Meanwhile, online debate forums have recently become popular, but have remained largely unexplored. For this reason, there are no sufficient resources of annotated debate data available for conducting research in this genre. In this paper, we collected and annotated debate data for an automatic summarization task. Similar to extractive gold standard summary generation our data contains sentences worthy to include into a summary. Five human annotators performed this task. Inter-annotator agreement, based on semantic similarity, is 36% for Cohen's kappa and 48% for Krippendorff's alpha. Moreover, we also implement an extractive summarization system for online debates and discuss prominent features for the task of summarizing online debate data automatically.
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Entropy-SGD optimizes the prior of a PAC-Bayes bound: Generalization properties of Entropy-SGD and data-dependent priors
We show that Entropy-SGD (Chaudhari et al., 2017), when viewed as a learning algorithm, optimizes a PAC-Bayes bound on the risk of a Gibbs (posterior) classifier, i.e., a randomized classifier obtained by a risk-sensitive perturbation of the weights of a learned classifier. Entropy-SGD works by optimizing the bound's prior, violating the hypothesis of the PAC-Bayes theorem that the prior is chosen independently of the data. Indeed, available implementations of Entropy-SGD rapidly obtain zero training error on random labels and the same holds of the Gibbs posterior. In order to obtain a valid generalization bound, we rely on a result showing that data-dependent priors obtained by stochastic gradient Langevin dynamics (SGLD) yield valid PAC-Bayes bounds provided the target distribution of SGLD is $\epsilon$-differentially private. We observe that test error on MNIST and CIFAR10 falls within the (empirically nonvacuous) risk bounds computed under the assumption that SGLD reaches stationarity. In particular, Entropy-SGLD can be configured to yield relatively tight generalization bounds and still fit real labels, although these same settings do not obtain state-of-the-art performance.
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DeepFM: A Factorization-Machine based Neural Network for CTR Prediction
Learning sophisticated feature interactions behind user behaviors is critical in maximizing CTR for recommender systems. Despite great progress, existing methods seem to have a strong bias towards low- or high-order interactions, or require expertise feature engineering. In this paper, we show that it is possible to derive an end-to-end learning model that emphasizes both low- and high-order feature interactions. The proposed model, DeepFM, combines the power of factorization machines for recommendation and deep learning for feature learning in a new neural network architecture. Compared to the latest Wide \& Deep model from Google, DeepFM has a shared input to its "wide" and "deep" parts, with no need of feature engineering besides raw features. Comprehensive experiments are conducted to demonstrate the effectiveness and efficiency of DeepFM over the existing models for CTR prediction, on both benchmark data and commercial data.
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How a small quantum bath can thermalize long localized chains
We investigate the stability of the many-body localized (MBL) phase for a system in contact with a single ergodic grain, modelling a Griffiths region with low disorder. Our numerical analysis provides evidence that even a small ergodic grain consisting of only 3 qubits can delocalize a localized chain, as soon as the localization length exceeds a critical value separating localized and extended regimes of the whole system. We present a simple theory, consistent with the arguments in [Phys. Rev. B 95, 155129 (2017)], that assumes a system to be locally ergodic unless the local relaxation time, determined by Fermi's Golden Rule, is larger than the inverse level spacing. This theory predicts a critical value for the localization length that is perfectly consistent with our numerical calculations. We analyze in detail the behavior of local operators inside and outside the ergodic grain, and find excellent agreement of numerics and theory.
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Transfer Learning for Brain-Computer Interfaces: An Euclidean Space Data Alignment Approach
Almost all EEG-based brain-computer interfaces (BCIs) need some labeled subject-specific data to calibrate a new subject, as neural responses are different across subjects to even the same stimulus. So, a major challenge in developing high-performance and user-friendly BCIs is to cope with such individual differences so that the calibration can be reduced or even completely eliminated. This paper focuses on the latter. More specifically, we consider an offline application scenario, in which we have unlabeled EEG trials from a new subject, and would like to accurately label them by leveraging auxiliary labeled EEG trials from other subjects in the same task. To accommodate the individual differences, we propose a novel unsupervised approach to align the EEG trials from different subjects in the Euclidean space to make them more consistent. It has three desirable properties: 1) the aligned trial lie in the Euclidean space, which can be used by any Euclidean space signal processing and machine learning approach; 2) it can be computed very efficiently; and, 3) it does not need any labeled trials from the new subject. Experiments on motor imagery and event-related potentials demonstrated the effectiveness and efficiency of our approach.
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Linear and bilinear restriction to certain rotationally symmetric hypersurfaces
Conditional on Fourier restriction estimates for elliptic hypersurfaces, we prove optimal restriction estimates for polynomial hypersurfaces of revolution for which the defining polynomial has non-negative coefficients. In particular, we obtain uniform--depending only on the dimension and polynomial degree--estimates for restriction with affine surface measure, slightly beyond the bilinear range. The main step in the proof of our linear result is an (unconditional) bilinear adjoint restriction estimate for pieces at different scales.
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Mixed one-bit compressive sensing with applications to overexposure correction for CT reconstruction
When a measurement falls outside the quantization or measurable range, it becomes saturated and cannot be used in classical reconstruction methods. For example, in C-arm angiography systems, which provide projection radiography, fluoroscopy, digital subtraction angiography, and are widely used for medical diagnoses and interventions, the limited dynamic range of C-arm flat detectors leads to overexposure in some projections during an acquisition, such as imaging relatively thin body parts (e.g., the knee). Aiming at overexposure correction for computed tomography (CT) reconstruction, we in this paper propose a mixed one-bit compressive sensing (M1bit-CS) to acquire information from both regular and saturated measurements. This method is inspired by the recent progress on one-bit compressive sensing, which deals with only sign observations. Its successful applications imply that information carried by saturated measurements is useful to improve recovery quality. For the proposed M1bit-CS model, alternating direction methods of multipliers is developed and an iterative saturation detection scheme is established. Then we evaluate M1bit-CS on one-dimensional signal recovery tasks. In some experiments, the performance of the proposed algorithms on mixed measurements is almost the same as recovery on unsaturated ones with the same amount of measurements. Finally, we apply the proposed method to overexposure correction for CT reconstruction on a phantom and a simulated clinical image. The results are promising, as the typical streaking artifacts and capping artifacts introduced by saturated projection data are effectively reduced, yielding significant error reduction compared with existing algorithms based on extrapolation.
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Stochastic Gradient Descent on Highly-Parallel Architectures
There is an increased interest in building data analytics frameworks with advanced algebraic capabilities both in industry and academia. Many of these frameworks, e.g., TensorFlow and BIDMach, implement their compute-intensive primitives in two flavors---as multi-thread routines for multi-core CPUs and as highly-parallel kernels executed on GPU. Stochastic gradient descent (SGD) is the most popular optimization method for model training implemented extensively on modern data analytics platforms. While the data-intensive properties of SGD are well-known, there is an intense debate on which of the many SGD variants is better in practice. In this paper, we perform a comprehensive study of parallel SGD for training generalized linear models. We consider the impact of three factors -- computing architecture (multi-core CPU or GPU), synchronous or asynchronous model updates, and data sparsity -- on three measures---hardware efficiency, statistical efficiency, and time to convergence. In the process, we design an optimized asynchronous SGD algorithm for GPU that leverages warp shuffling and cache coalescing for data and model access. We draw several interesting findings from our extensive experiments with logistic regression (LR) and support vector machines (SVM) on five real datasets. For synchronous SGD, GPU always outperforms parallel CPU---they both outperform a sequential CPU solution by more than 400X. For asynchronous SGD, parallel CPU is the safest choice while GPU with data replication is better in certain situations. The choice between synchronous GPU and asynchronous CPU depends on the task and the characteristics of the data. As a reference, our best implementation outperforms TensorFlow and BIDMach consistently. We hope that our insights provide a useful guide for applying parallel SGD to generalized linear models.
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Mixed Precision Training
Deep neural networks have enabled progress in a wide variety of applications. Growing the size of the neural network typically results in improved accuracy. As model sizes grow, the memory and compute requirements for training these models also increases. We introduce a technique to train deep neural networks using half precision floating point numbers. In our technique, weights, activations and gradients are stored in IEEE half-precision format. Half-precision floating numbers have limited numerical range compared to single-precision numbers. We propose two techniques to handle this loss of information. Firstly, we recommend maintaining a single-precision copy of the weights that accumulates the gradients after each optimizer step. This single-precision copy is rounded to half-precision format during training. Secondly, we propose scaling the loss appropriately to handle the loss of information with half-precision gradients. We demonstrate that this approach works for a wide variety of models including convolution neural networks, recurrent neural networks and generative adversarial networks. This technique works for large scale models with more than 100 million parameters trained on large datasets. Using this approach, we can reduce the memory consumption of deep learning models by nearly 2x. In future processors, we can also expect a significant computation speedup using half-precision hardware units.
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An elementary representation of the higher-order Jacobi-type differential equation
We investigate the differential equation for the Jacobi-type polynomials which are orthogonal on the interval $[-1,1]$ with respect to the classical Jacobi measure and an additional point mass at one endpoint. This scale of higher-order equations was introduced by J. and R. Koekoek in 1999 essentially by using special function methods. In this paper, a completely elementary representation of the Jacobi-type differential operator of any even order is given. This enables us to trace the orthogonality relation of the Jacobi-type polynomials back to their differential equation. Moreover, we establish a new factorization of the Jacobi-type operator which gives rise to a recurrence relation with respect to the order of the equation.
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Theory of $L$-edge spectroscopy of strongly correlated systems
X-ray absorption spectroscopy measured at the $L$-edge of transition metals (TMs) is a powerful element-selective tool providing direct information about the correlation effects in the $3d$ states. The theoretical modeling of the $2p\rightarrow3d$ excitation processes remains to be challenging for contemporary \textit{ab initio} electronic structure techniques, due to strong core-hole and multiplet effects influencing the spectra. In this work we present a realization of the method combining the density-functional theory with multiplet ligand field theory, proposed in Haverkort et al. (this https URL), Phys. Rev. B 85, 165113 (2012). In this approach a single-impurity Anderson model (SIAM) is constructed, with almost all parameters obtained from first principles, and then solved to obtain the spectra. In our implementation we adopt the language of the dynamical mean-field theory and utilize the local density of states and the hybridization function, projected onto TM $3d$ states, in order to construct the SIAM. The developed computational scheme is applied to calculate the $L$-edge spectra for several TM monoxides. A very good agreement between the theory and experiment is found for all studied systems. The effect of core-hole relaxation, hybridization discretization, possible extensions of the method as well as its limitations are discussed.
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Pseudo-spin Skyrmions in the Phase Diagram of Cuprate Superconductors
Topological states of matter are at the root of some of the most fascinating phenomena in condensed matter physics. Here we argue that skyrmions in the pseudo-spin space related to an emerging SU(2) symmetry enlighten many mysterious properties of the pseudogap phase in under-doped cuprates. We detail the role of the SU(2) symmetry in controlling the phase diagram of the cuprates, in particular how a cascade of phase transitions explains the arising of the pseudogap, superconducting and charge modulation phases seen at low temperature. We specify the structure of the charge modulations inside the vortex core below $T_{c}$, as well as in a wide temperature region above $T_{c}$, which is a signature of the skyrmion topological structure. We argue that the underlying SU(2) symmetry is the main structure controlling the emergent complexity of excitations at the pseudogap scale $T^{*}$. The theory yields a gapping of a large part of the anti-nodal region of the Brillouin zone, along with $q=0$ phase transitions, of both nematic and loop currents characters.
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Large Scale Empirical Risk Minimization via Truncated Adaptive Newton Method
We consider large scale empirical risk minimization (ERM) problems, where both the problem dimension and variable size is large. In these cases, most second order methods are infeasible due to the high cost in both computing the Hessian over all samples and computing its inverse in high dimensions. In this paper, we propose a novel adaptive sample size second-order method, which reduces the cost of computing the Hessian by solving a sequence of ERM problems corresponding to a subset of samples and lowers the cost of computing the Hessian inverse using a truncated eigenvalue decomposition. We show that while we geometrically increase the size of the training set at each stage, a single iteration of the truncated Newton method is sufficient to solve the new ERM within its statistical accuracy. Moreover, for a large number of samples we are allowed to double the size of the training set at each stage, and the proposed method subsequently reaches the statistical accuracy of the full training set approximately after two effective passes. In addition to this theoretical result, we show empirically on a number of well known data sets that the proposed truncated adaptive sample size algorithm outperforms stochastic alternatives for solving ERM problems.
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Large covers and sharp resonances of hyperbolic surfaces
Let $\Gamma$ be a convex co-compact discrete group of isometries of the hyperbolic plane $\mathbb{H}^2$, and $X=\Gamma\backslash \mathbb{H}^2$ the associated surface. In this paper we investigate the behaviour of resonances of the Laplacian for large degree covers of $X$ given by a finite index normal subgroup of $\Gamma$. Using various techniques of thermodynamical formalism and representation theory, we prove two new existence results of "sharp non-trivial resonances" close to $\Re(s)=\delta_\Gamma$, both in the large degree limit, for abelian covers and also infinite index congruence subgroups of $SL2(\mathbb{Z})$.
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Computational Models of Tutor Feedback in Language Acquisition
This paper investigates the role of tutor feedback in language learning using computational models. We compare two dominant paradigms in language learning: interactive learning and cross-situational learning - which differ primarily in the role of social feedback such as gaze or pointing. We analyze the relationship between these two paradigms and propose a new mixed paradigm that combines the two paradigms and allows to test algorithms in experiments that combine no feedback and social feedback. To deal with mixed feedback experiments, we develop new algorithms and show how they perform with respect to traditional knn and prototype approaches.
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Non-Saturated Throughput Analysis of Coexistence of Wi-Fi and Cellular With Listen-Before-Talk in Unlicensed Spectrum
This paper analyzes the coexistence performance of Wi-Fi and cellular networks conditioned on non-saturated traffic in the unlicensed spectrum. Under the condition, the time-domain behavior of a cellular small-cell base station (SCBS) with a listen-before-talk (LBT) procedure is modeled as a Markov chain, and it is combined with a Markov chain which describes the time-domain behavior of a Wi-Fi access point. Using the proposed model, this study finds the optimal contention window size of cellular SCBSs in which total throughput of both networks is maximized while satisfying the required throughput of each network, under the given traffic densities of both networks. This will serve as a guideline for cellular operators with respect to performing LBT at cellular SCBSs according to the changes of traffic volumes of both networks over time.
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A Dynamic Model for Traffic Flow Prediction Using Improved DRN
Real-time traffic flow prediction can not only provide travelers with reliable traffic information so that it can save people's time, but also assist the traffic management agency to manage traffic system. It can greatly improve the efficiency of the transportation system. Traditional traffic flow prediction approaches usually need a large amount of data but still give poor performances. With the development of deep learning, researchers begin to pay attention to artificial neural networks (ANNs) such as RNN and LSTM. However, these ANNs are very time-consuming. In our research, we improve the Deep Residual Network and build a dynamic model which previous researchers hardly use. We firstly integrate the input and output of the $i^{th}$ layer to the input of the $i+1^{th}$ layer and prove that each layer will fit a simpler function so that the error rate will be much smaller. Then, we use the concept of online learning in our model to update pre-trained model during prediction. Our result shows that our model has higher accuracy than some state-of-the-art models. In addition, our dynamic model can perform better in practical applications.
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Think globally, fit locally under the Manifold Setup: Asymptotic Analysis of Locally Linear Embedding
Since its introduction in 2000, the locally linear embedding (LLE) has been widely applied in data science. We provide an asymptotical analysis of the LLE under the manifold setup. We show that for the general manifold, asymptotically we may not obtain the Laplace-Beltrami operator, and the result may depend on the non-uniform sampling, unless a correct regularization is chosen. We also derive the corresponding kernel function, which indicates that the LLE is not a Markov process. A comparison with the other commonly applied nonlinear algorithms, particularly the diffusion map, is provided, and its relationship with the locally linear regression is also discussed.
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Relative energetics of acetyl-histidine protomers with and without Zn2+ and a benchmark of energy methods
We studied acetylhistidine (AcH), bare or microsolvated with a zinc cation by simulations in isolation. First, a global search for minima of the potential energy surface combining both, empirical and first-principles methods, is performed individually for either one of five possible protonation states. Comparing the most stable structures between tautomeric forms of negatively charged AcH shows a clear preference for conformers with the neutral imidazole ring protonated at the N-epsilon-2 atom. When adding a zinc cation to the system, the situation is reversed and N-delta-1-protonated structures are energetically more favorable. Obtained minima structures then served as basis for a benchmark study to examine the goodness of commonly applied levels of theory, i.e. force fields, semi-empirical methods, density-functional approximations (DFA), and wavefunction-based methods with respect to high-level coupled-cluster calculations, i.e. the DLPNO-CCSD(T) method. All tested force fields and semi-empirical methods show a poor performance in reproducing the energy hierarchies of conformers, in particular of systems involving the zinc cation. Meta-GGA, hybrid, double hybrid DFAs, and the MP2 method are able to describe the energetics of the reference method within chemical accuracy, i.e. with a mean absolute error of less than 1kcal/mol. Best performance is found for the double hybrid DFA B3LYP+XYG3 with a mean absolute error of 0.7 kcal/mol and a maximum error of 1.8 kcal/mol. While MP2 performs similarly as B3LYP+XYG3, computational costs, i.e. timings, are increased by a factor of 4 in comparison due to the large basis sets required for accurate results.
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"Space is blue and birds fly through it"
Quantum mechanics is not about 'quantum states': it is about values of physical variables. I give a short fresh presentation and update on the $relational$ perspective on the theory, and a comment on its philosophical implications.
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On the Geometry of Nash and Correlated Equilibria with Cumulative Prospect Theoretic Preferences
It is known that the set of all correlated equilibria of an n-player non-cooperative game is a convex polytope and includes all the Nash equilibria. Further, the Nash equilibria all lie on the boundary of this polytope. We study the geometry of both these equilibrium notions when the players have cumulative prospect theoretic (CPT) preferences. The set of CPT correlated equilibria includes all the CPT Nash equilibria but it need not be a convex polytope. We show that it can, in fact, be disconnected. However, all the CPT Nash equilibria continue to lie on its boundary. We also characterize the sets of CPT correlated equilibria and CPT Nash equilibria for all 2x2 games.
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Multipoint Radiation Induced Ignition of Dust Explosions: Turbulent Clustering of Particles and Increased Transparency
It is known that unconfined dust explosions consist of a relatively weak primary (turbulent) deflagrations followed by a devastating secondary explosion. The secondary explosion may propagate with a speed of up to 1000 m/s producing overpressures of over 8-10 atm. Since detonation is the only established theory that allows a rapid burning producing a high pressure that can be sustained in open areas, the generally accepted view was that the mechanism explaining the high rate of combustion in dust explosions is deflagration to detonation transition. In the present work we propose a theoretical substantiation of the alternative propagation mechanism explaining origin of the secondary explosion producing the high speeds of combustion and high overpressures in unconfined dust explosions. We show that clustering of dust particles in a turbulent flow gives rise to a significant increase of the thermal radiation absorption length ahead of the advancing flame front. This effect ensures that clusters of dust particles are exposed to and heated by the radiation from hot combustion products of large gaseous explosions sufficiently long time to become multi-point ignition kernels in a large volume ahead of the advancing flame front. The ignition times of fuel-air mixture by the radiatively heated clusters of particles is considerably reduced compared to the ignition time by the isolated particle. The radiation-induced multi-point ignitions of a large volume of fuel-air ahead of the primary flame efficiently increase the total flame area, giving rise to the secondary explosion, which results in high rates of combustion and overpressures required to account for the observed level of overpressures and damages in unconfined dust explosions, such as e.g. the 2005 Buncefield explosion and several vapor cloud explosions of severity similar to that of the Buncefield incident.
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Modeling of the Latent Embedding of Music using Deep Neural Network
While both the data volume and heterogeneity of the digital music content is huge, it has become increasingly important and convenient to build a recommendation or search system to facilitate surfacing these content to the user or consumer community. Most of the recommendation models fall into two primary species, collaborative filtering based and content based approaches. Variants of instantiations of collaborative filtering approach suffer from the common issues of so called "cold start" and "long tail" problems where there is not much user interaction data to reveal user opinions or affinities on the content and also the distortion towards the popular content. Content-based approaches are sometimes limited by the richness of the available content data resulting in a heavily biased and coarse recommendation result. In recent years, the deep neural network has enjoyed a great success in large-scale image and video recognitions. In this paper, we propose and experiment using deep convolutional neural network to imitate how human brain processes hierarchical structures in the auditory signals, such as music, speech, etc., at various timescales. This approach can be used to discover the latent factor models of the music based upon acoustic hyper-images that are extracted from the raw audio waves of music. These latent embeddings can be used either as features to feed to subsequent models, such as collaborative filtering, or to build similarity metrics between songs, or to classify music based on the labels for training such as genre, mood, sentiment, etc.
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Intense keV isolated attosecond pulse generation by orthogonally polarized multicycle midinfrared two-color laser field
We theoretically investigate the generation of intense keV attosecond pulses in an orthogonally polarized multicycle midinfrared two-color laser field. It is demonstrated that multiple continuum-like humps, which have a spectral width of about twenty orders of harmonics and an intensity of about one order higher than adjacent normal harmonic peaks, are generated under proper two-color delays, owing to the reduction of the number of electron-ion recollisions and suppression of inter-half-cycle interference effect of multiple electron trajectories when the long wavelength midinfrared driving field is used. Using the semiclassical trajectory model, we have revealed the two-dimensional manipulation of the electron-ion recollision process, which agrees well with the time frequency analysis. By filtering these humps, intense isolated attosecond pulses are directly generated without any phase compensation. Our proposal provides a simple technique to generate intense isolated attosecond pulses with various central photon energies covering the multi-keV spectral regime by using multicycle driving pulses with high pump energy in experiment.
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Games with Costs and Delays
We demonstrate the usefulness of adding delay to infinite games with quantitative winning conditions. In a delay game, one of the players may delay her moves to obtain a lookahead on her opponent's moves. We show that determining the winner of delay games with winning conditions given by parity automata with costs is EXPTIME-complete and that exponential bounded lookahead is both sufficient and in general necessary. Thus, although the parity condition with costs is a quantitative extension of the parity condition, our results show that adding costs does not increase the complexity of delay games with parity conditions. Furthermore, we study a new phenomenon that appears in quantitative delay games: lookahead can be traded for the quality of winning strategies and vice versa. We determine the extent of this tradeoff. In particular, even the smallest lookahead allows to improve the quality of an optimal strategy from the worst possible value to almost the smallest possible one. Thus, the benefit of introducing lookahead is twofold: not only does it allow the delaying player to win games she would lose without, but lookahead also allows her to improve the quality of her winning strategies in games she wins even without lookahead.
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Compile-Time Extensions to Hybrid ODEs
Reachability analysis for hybrid systems is an active area of development and has resulted in many promising prototype tools. Most of these tools allow users to express hybrid system as automata with a set of ordinary differential equations (ODEs) associated with each state, as well as rules for transitions between states. Significant effort goes into developing and verifying and correctly implementing those tools. As such, it is desirable to expand the scope of applicability tools of such as far as possible. With this goal, we show how compile-time transformations can be used to extend the basic hybrid ODE formalism traditionally supported in hybrid reachability tools such as SpaceEx or Flow*. The extension supports certain types of partial derivatives and equational constraints. These extensions allow users to express, among other things, the Euler-Lagrangian equation, and to capture practically relevant constraints that arise naturally in mechanical systems. Achieving this level of expressiveness requires using a binding time-analysis (BTA), program differentiation, symbolic Gaussian elimination, and abstract interpretation using interval analysis. Except for BTA, the other components are either readily available or can be easily added to most reachability tools. The paper therefore focuses on presenting both the declarative and algorithmic specifications for the BTA phase, and establishes the soundness of the algorithmic specifications with respect to the declarative one.
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Sorted Concave Penalized Regression
The Lasso is biased. Concave penalized least squares estimation (PLSE) takes advantage of signal strength to reduce this bias, leading to sharper error bounds in prediction, coefficient estimation and variable selection. For prediction and estimation, the bias of the Lasso can be also reduced by taking a smaller penalty level than what selection consistency requires, but such smaller penalty level depends on the sparsity of the true coefficient vector. The sorted L1 penalized estimation (Slope) was proposed for adaptation to such smaller penalty levels. However, the advantages of concave PLSE and Slope do not subsume each other. We propose sorted concave penalized estimation to combine the advantages of concave and sorted penalizations. We prove that sorted concave penalties adaptively choose the smaller penalty level and at the same time benefits from signal strength, especially when a significant proportion of signals are stronger than the corresponding adaptively selected penalty levels. A local convex approximation, which extends the local linear and quadratic approximations to sorted concave penalties, is developed to facilitate the computation of sorted concave PLSE and proven to possess desired prediction and estimation error bounds. We carry out a unified treatment of penalty functions in a general optimization setting, including the penalty levels and concavity of the above mentioned sorted penalties and mixed penalties motivated by Bayesian considerations. Our analysis of prediction and estimation errors requires the restricted eigenvalue condition on the design, not beyond, and provides selection consistency under a required minimum signal strength condition in addition. Thus, our results also sharpens existing results on concave PLSE by removing the upper sparse eigenvalue component of the sparse Riesz condition.
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A New Fully Polynomial Time Approximation Scheme for the Interval Subset Sum Problem
The interval subset sum problem (ISSP) is a generalization of the well-known subset sum problem. Given a set of intervals $\left\{[a_{i,1},a_{i,2}]\right\}_{i=1}^n$ and a target integer $T,$ the ISSP is to find a set of integers, at most one from each interval, such that their sum best approximates the target $T$ but cannot exceed it. In this paper, we first study the computational complexity of the ISSP. We show that the ISSP is relatively easy to solve compared to the 0-1 Knapsack problem (KP). We also identify several subclasses of the ISSP which are polynomial time solvable (with high probability), albeit the problem is generally NP-hard. Then, we propose a new fully polynomial time approximation scheme (FPTAS) for solving the general ISSP problem. The time and space complexities of the proposed scheme are ${\cal O}\left(n \max\left\{1 / \epsilon,\log n\right\}\right)$ and ${\cal O}\left(n+1/\epsilon\right),$ respectively, where $\epsilon$ is the relative approximation error. To the best of our knowledge, the proposed scheme has almost the same time complexity but a significantly lower space complexity compared to the best known scheme. Both the correctness and efficiency of the proposed scheme are validated by numerical simulations. In particular, the proposed scheme successfully solves ISSP instances with $n=100,000$ and $\epsilon=0.1\%$ within one second.
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Data Dependent Kernel Approximation using Pseudo Random Fourier Features
Kernel methods are powerful and flexible approach to solve many problems in machine learning. Due to the pairwise evaluations in kernel methods, the complexity of kernel computation grows as the data size increases; thus the applicability of kernel methods is limited for large scale datasets. Random Fourier Features (RFF) has been proposed to scale the kernel method for solving large scale datasets by approximating kernel function using randomized Fourier features. While this method proved very popular, still it exists shortcomings to be effectively used. As RFF samples the randomized features from a distribution independent of training data, it requires sufficient large number of feature expansions to have similar performances to kernelized classifiers, and this is proportional to the number samples in the dataset. Thus, reducing the number of feature dimensions is necessary to effectively scale to large datasets. In this paper, we propose a kernel approximation method in a data dependent way, coined as Pseudo Random Fourier Features (PRFF) for reducing the number of feature dimensions and also to improve the prediction performance. The proposed approach is evaluated on classification and regression problems and compared with the RFF, orthogonal random features and Nystr{ö}m approach
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Estimating Historical Hourly Traffic Volumes via Machine Learning and Vehicle Probe Data: A Maryland Case Study
This paper focuses on the problem of estimating historical traffic volumes between sparsely-located traffic sensors, which transportation agencies need to accurately compute statewide performance measures. To this end, the paper examines applications of vehicle probe data, automatic traffic recorder counts, and neural network models to estimate hourly volumes in the Maryland highway network, and proposes a novel approach that combines neural networks with an existing profiling method. On average, the proposed approach yields 24% more accurate estimates than volume profiles, which are currently used by transportation agencies across the US to compute statewide performance measures. The paper also quantifies the value of using vehicle probe data in estimating hourly traffic volumes, which provides important managerial insights to transportation agencies interested in acquiring this type of data. For example, results show that volumes can be estimated with a mean absolute percent error of about 21% at locations where average number of observed probes is between 30 and 47 vehicles/hr, which provides a useful guideline for assessing the value of probe vehicle data from different vendors.
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Monitoring of Wild Pseudomonas Biofilm Strain Conditions Using Statistical Characterisation of Scanning Electron Microscopy Images
The present paper proposes a novel method of quantification of the variation in biofilm architecture, in correlation with the alteration of growth conditions that include, variations of substrate and conditioning layer. The polymeric biomaterial serving as substrates are widely used in implants and indwelling medical devices, while the plasma proteins serve as the conditioning layer. The present method uses descriptive statistics of FESEM images of biofilms obtained during a variety of growth conditions. We aim to explore here the texture and fractal analysis techniques, to identify the most discriminatory features which are capable of predicting the difference in biofilm growth conditions. We initially extract some statistical features of biofilm images on bare polymer surfaces, followed by those on the same substrates adsorbed with two different types of plasma proteins, viz. Bovine serum albumin (BSA) and Fibronectin (FN), for two different adsorption times. The present analysis has the potential to act as a futuristic technology for developing a computerized monitoring system in hospitals with automated image analysis and feature extraction, which may be used to predict the growth profile of an emerging biofilm on surgical implants or similar medical applications.
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Continuous Measurement of an Atomic Current
We are interested in dynamics of quantum many-body systems under continuous observation, and its physical realizations involving cold atoms in lattices. In the present work we focus on continuous measurement of atomic currents in lattice models, including the Hubbard model. We describe a Cavity QED setup, where measurement of a homodyne current provides a faithful representation of the atomic current as a function of time. We employ the quantum optical description in terms of a diffusive stochastic Schrödinger equation to follow the time evolution of the atomic system conditional to observing a given homodyne current trajectory, thus accounting for the competition between the Hamiltonian evolution and measurement back-action. As an illustration, we discuss minimal models of atomic dynamics and continuous current measurement on rings with synthetic gauge fields, involving both real space and synthetic dimension lattices (represented by internal atomic states). Finally, by `not reading' the current measurements the time evolution of the atomic system is governed by a master equation, where - depending on the microscopic details of our CQED setups - we effectively engineer a current coupling of our system to a quantum reservoir. This provides novel scenarios of dissipative dynamics generating `dark' pure quantum many-body states.
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Zero-Inflated Autoregressive Conditional Duration Model for Discrete Trade Durations with Excessive Zeros
In finance, durations between successive transactions are usually modeled by the autoregressive conditional duration model based on a continuous distribution omitting frequent zero values. Zero durations can be caused by either split transactions or independent transactions. We propose a discrete model allowing for excessive zero values based on the zero-inflated negative binomial distribution with score dynamics. We establish the invertibility of the score filter. Additionally, we derive sufficient conditions for the consistency and asymptotic normality of the maximum likelihood of the model parameters. In an empirical study of DJIA stocks, we find that split transactions cause on average 63% of zero values. Furthermore, the loss of decimal places in the proposed model is less severe than incorrect treatment of zero values in continuous models.
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Analog Experiments on Tensile Strength of Dusty and Cometary Matter
The tensile strength of small dusty bodies in the solar system is determined by the interaction between the composing grains. In the transition regime between small and sticky dust ($\rm \mu m$) and non cohesive large grains (mm), particles still stick to each other but are easily separated. In laboratory experiments we find that thermal creep gas flow at low ambient pressure generates an overpressure sufficient to overcome the tensile strength. For the first time it allows a direct measurement of the tensile strength of individual, very small (sub)-mm aggregates which consist of only tens of grains in the (sub)-mm size range. We traced the disintegration of aggregates by optical imaging in ground based as well as microgravity experiments and present first results for basalt, palagonite and vitreous carbon samples with up to a few hundred Pa. These measurements show that low tensile strength can be the result of building loose aggregates with compact (sub)-mm units. This is in favour of a combined cometary formation scenario by aggregation to compact aggreates and gravitational instability of these units.
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On Compiling DNNFs without Determinism
State-of-the-art knowledge compilers generate deterministic subsets of DNNF, which have been recently shown to be exponentially less succinct than DNNF. In this paper, we propose a new method to compile DNNFs without enforcing determinism necessarily. Our approach is based on compiling deterministic DNNFs with the addition of auxiliary variables to the input formula. These variables are then existentially quantified from the deterministic structure in linear time, which would lead to a DNNF that is equivalent to the input formula and not necessarily deterministic. On the theoretical side, we show that the new method could generate exponentially smaller DNNFs than deterministic ones, even by adding a single auxiliary variable. Further, we show that various existing techniques that introduce auxiliary variables to the input formulas can be employed in our framework. On the practical side, we empirically demonstrate that our new method can significantly advance DNNF compilation on certain benchmarks.
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Algebraic infinite delooping and derived destabilization
Working over the prime field of characteristic two, consequences of the Koszul duality between the Steenrod algebra and the big Dyer-Lashof algebra are studied, with an emphasis on the interplay between instability for the Steenrod algebra action and that for the Dyer-Lashof operations. The central algebraic framework is the category of length-graded modules over the Steenrod algebra equipped with an unstable action of the Dyer-Lashof algebra, with compatibility via the Nishida relations. A first ingredient is a functor defined on modules over the Steenrod algebra that arose in the work of Kuhn and McCarty on the homology of infinite loop spaces. This functor is given in terms of derived functors of destabilization from the category of modules over the Steenrod algebra to unstable modules, enriched by taking into account the action of Dyer-Lashof operations. A second ingredient is the derived functors of the Dyer-Lashof indecomposables functor to length-graded modules over the Steenrod algebra. These are related to functors used by Miller in his study of a spectral sequence to calculate the homology of an infinite delooping. An important fact is that these functors can be calculated as the homology of an explicit Koszul complex with terms expressed as certain Steinberg functors. The latter are quadratic dual to the more familiar Singer functors. By exploiting the explicit complex built from the Singer functors which calculates the derived functors of destabilization, Koszul duality leads to an algebraic infinite delooping spectral sequence. This is conceptually similar to Miller's spectral sequence, but there seems to be no direct relationship. The spectral sequence sheds light on the relationship between unstable modules over the Steenrod algebra and all modules.
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WHAI: Weibull Hybrid Autoencoding Inference for Deep Topic Modeling
To train an inference network jointly with a deep generative topic model, making it both scalable to big corpora and fast in out-of-sample prediction, we develop Weibull hybrid autoencoding inference (WHAI) for deep latent Dirichlet allocation, which infers posterior samples via a hybrid of stochastic-gradient MCMC and autoencoding variational Bayes. The generative network of WHAI has a hierarchy of gamma distributions, while the inference network of WHAI is a Weibull upward-downward variational autoencoder, which integrates a deterministic-upward deep neural network, and a stochastic-downward deep generative model based on a hierarchy of Weibull distributions. The Weibull distribution can be used to well approximate a gamma distribution with an analytic Kullback-Leibler divergence, and has a simple reparameterization via the uniform noise, which help efficiently compute the gradients of the evidence lower bound with respect to the parameters of the inference network. The effectiveness and efficiency of WHAI are illustrated with experiments on big corpora.
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Constraining the Dynamics of Deep Probabilistic Models
We introduce a novel generative formulation of deep probabilistic models implementing "soft" constraints on their function dynamics. In particular, we develop a flexible methodological framework where the modeled functions and derivatives of a given order are subject to inequality or equality constraints. We then characterize the posterior distribution over model and constraint parameters through stochastic variational inference. As a result, the proposed approach allows for accurate and scalable uncertainty quantification on the predictions and on all parameters. We demonstrate the application of equality constraints in the challenging problem of parameter inference in ordinary differential equation models, while we showcase the application of inequality constraints on the problem of monotonic regression of count data. The proposed approach is extensively tested in several experimental settings, leading to highly competitive results in challenging modeling applications, while offering high expressiveness, flexibility and scalability.
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Democratizing Design for Future Computing Platforms
Information and communications technology can continue to change our world. These advances will partially depend upon designs that synergistically combine software with specialized hardware. Today open-source software incubates rapid software-only innovation. The government can unleash software-hardware innovation with programs to develop open hardware components, tools, and design flows that simplify and reduce the cost of hardware design. Such programs will speed development for startup companies, established industry leaders, education, scientific research, and for government intelligence and defense platforms.
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EstimatedWold Representation and Spectral Density-Driven Bootstrap for Time Series
The second-order dependence structure of purely nondeterministic stationary process is described by the coefficients of the famous Wold representation. These coefficients can be obtained by factorizing the spectral density of the process. This relation together with some spectral density estimator is used in order to obtain consistent estimators of these coefficients. A spectral density-driven bootstrap for time series is then developed which uses the entire sequence of estimated MA coefficients together with appropriately generated pseudo innovations in order to obtain a bootstrap pseudo time series. It is shown that if the underlying process is linear and if the pseudo innovations are generated by means of an i.i.d. wild bootstrap which mimics, to the necessary extent, the moment structure of the true innovations, this bootstrap proposal asymptotically works for a wide range of statistics. The relations of the proposed bootstrap procedure to some other bootstrap procedures, including the autoregressive-sieve bootstrap, are discussed. It is shown that the latter is a special case of the spectral density-driven bootstrap, if a parametric autoregressive spectral density estimator is used. Simulations investigate the performance of the new bootstrap procedure in finite sample situations. Furthermore, a real-life data example is presented.
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A Polynomial Time Match Test for Large Classes of Extended Regular Expressions
In the present paper, we study the match test for extended regular expressions. We approach this NP-complete problem by introducing a novel variant of two-way multihead automata, which reveals that the complexity of the match test is determined by a hidden combinatorial property of extended regular expressions, and it shows that a restriction of the corresponding parameter leads to rich classes with a polynomial time match test. For presentational reasons, we use the concept of pattern languages in order to specify extended regular expressions. While this decision, formally, slightly narrows the scope of our results, an extension of our concepts and results to more general notions of extended regular expressions is straightforward.
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Anomalous Magnetism for Dirac Electrons in Two Dimensional Rashba Systems
Spin-spin correlation function response in the low electronic density regime and externally applied electric field is evaluated for 2D metallic crystals under Rashba-type coupling, fixed number of particles and two-fold energy band structure. Intrinsic Zeeman-like effect on electron spin polarization, density of states, Fermi surface topology and transverse magnetic susceptibility are analyzed in the zero temperature limit. A possible magnetic state for Dirac electrons depending on the zero field band gap magnitude under this conditions is found.
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Estimating Average Treatment Effects with a Double-Index Propensity Score
We consider estimating average treatment effects (ATE) of a binary treatment in observational data when data-driven variable selection is needed to select relevant covariates from a moderately large number of available covariates $\mathbf{X}$. To leverage covariates among $\mathbf{X}$ predictive of the outcome for efficiency gain while using regularization to fit a parameteric propensity score (PS) model, we consider a dimension reduction of $\mathbf{X}$ based on fitting both working PS and outcome models using adaptive LASSO. A novel PS estimator, the Double-index Propensity Score (DiPS), is proposed, in which the treatment status is smoothed over the linear predictors for $\mathbf{X}$ from both the initial working models. The ATE is estimated by using the DiPS in a normalized inverse probability weighting (IPW) estimator, which is found to maintain double-robustness and also local semiparametric efficiency with a fixed number of covariates $p$. Under misspecification of working models, the smoothing step leads to gains in efficiency and robustness over traditional doubly-robust estimators. These results are extended to the case where $p$ diverges with sample size and working models are sparse. Simulations show the benefits of the approach in finite samples. We illustrate the method by estimating the ATE of statins on colorectal cancer risk in an electronic medical record (EMR) study and the effect of smoking on C-reactive protein (CRP) in the Framingham Offspring Study.
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Emotion Detection and Analysis on Social Media
In this paper, we address the problem of detection, classification and quantification of emotions of text in any form. We consider English text collected from social media like Twitter, which can provide information having utility in a variety of ways, especially opinion mining. Social media like Twitter and Facebook is full of emotions, feelings and opinions of people all over the world. However, analyzing and classifying text on the basis of emotions is a big challenge and can be considered as an advanced form of Sentiment Analysis. This paper proposes a method to classify text into six different Emotion-Categories: Happiness, Sadness, Fear, Anger, Surprise and Disgust. In our model, we use two different approaches and combine them to effectively extract these emotions from text. The first approach is based on Natural Language Processing, and uses several textual features like emoticons, degree words and negations, Parts Of Speech and other grammatical analysis. The second approach is based on Machine Learning classification algorithms. We have also successfully devised a method to automate the creation of the training-set itself, so as to eliminate the need of manual annotation of large datasets. Moreover, we have managed to create a large bag of emotional words, along with their emotion-intensities. On testing, it is shown that our model provides significant accuracy in classifying tweets taken from Twitter.
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HotFlip: White-Box Adversarial Examples for Text Classification
We propose an efficient method to generate white-box adversarial examples to trick a character-level neural classifier. We find that only a few manipulations are needed to greatly decrease the accuracy. Our method relies on an atomic flip operation, which swaps one token for another, based on the gradients of the one-hot input vectors. Due to efficiency of our method, we can perform adversarial training which makes the model more robust to attacks at test time. With the use of a few semantics-preserving constraints, we demonstrate that HotFlip can be adapted to attack a word-level classifier as well.
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Towards fully commercial, UV-compatible fiber patch cords
We present and analyze two pathways to produce commercial optical-fiber patch cords with stable long-term transmission in the ultraviolet (UV) at powers up to $\sim$ 200 mW, and typical bulk transmission between 66-75\%. Commercial fiber patch cords in the UV are of great interest across a wide variety of scientific applications ranging from biology to metrology, and the lack of availability has yet to be suitably addressed. We provide a guide to producing such solarization-resistant, hydrogen-passivated, polarization-maintaining, connectorized and jacketed optical fibers compatible with demanding scientific and industrial applications. Our presentation describes the fabrication and hydrogen loading procedure in detail and presents a high-pressure vessel design, calculations of required \Ht\ loading times, and information on patch cord handling and the mitigation of bending sensitivities. Transmission at 313 nm is measured over many months for cumulative energy on the fiber output of > 10 kJ with no demonstrable degradation due to UV solarization, in contrast to standard uncured fibers. Polarization sensitivity and stability are characterized yielding polarization extinction ratios between 15 dB and 25 dB at 313 nm, where we find patch cords become linearly polarizing. We observe that particle deposition at the fiber facet induced by high-intensity UV exposure can (reversibly) deteriorate patch cord performance and describe a technique for nitrogen purging of fiber collimators which mitigates this phenomenon.
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Convex Parameterizations and Fidelity Bounds for Nonlinear Identification and Reduced-Order Modelling
Model instability and poor prediction of long-term behavior are common problems when modeling dynamical systems using nonlinear "black-box" techniques. Direct optimization of the long-term predictions, often called simulation error minimization, leads to optimization problems that are generally non-convex in the model parameters and suffer from multiple local minima. In this work we present methods which address these problems through convex optimization, based on Lagrangian relaxation, dissipation inequalities, contraction theory, and semidefinite programming. We demonstrate the proposed methods with a model order reduction task for electronic circuit design and the identification of a pneumatic actuator from experiment.
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Rydberg states of helium in electric and magnetic fields of arbitrary relative orientation
A spectroscopic study of Rydberg states of helium ($n$ = 30 and 45) in magnetic, electric and combined magnetic and electric fields with arbitrary relative orientations of the field vectors is presented. The emphasis is on two special cases where (i) the diamagnetic term is negligible and both paramagnetic Zeeman and Stark effects are linear ($n$ = 30, $B \leq$ 120 mT and $F$ = 0 - 78 V/cm ), and (ii) the diamagnetic term is dominant and the Stark effect is linear ($n$ = 45, $B$ = 277 mT and $F$ = 0 - 8 V/cm). Both cases correspond to regimes where the interactions induced by the electric and magnetic fields are much weaker than the Coulomb interaction, but much stronger than the spin-orbit interaction. The experimental spectra are compared to spectra calculated by determining the eigenvalues of the Hamiltonian matrix describing helium Rydberg states in the external fields. The spectra and the calculated energy-level diagrams in external fields reveal avoided crossings between levels of different $m_l$ values and pronounced $m_l$-mixing effects at all angles between the electric and magnetic field vectors other than 0. These observations are discussed in the context of the development of a method to generate dense samples of cold atoms and molecules in a magnetic trap following Rydberg-Stark deceleration.
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Change-point inference on volatility in noisy Itô semimartingales
This work is concerned with tests on structural breaks in the spot volatility process of a general Itô semimartingale based on discrete observations contaminated with i.i.d. microstructure noise. We construct a consistent test building up on infill asymptotic results for certain functionals of spectral spot volatility estimates. A weak limit theorem is established under the null hypothesis relying on extreme value theory. We prove consistency of the test and of an associated estimator for the change point. A simulation study illustrates the finite-sample performance of the method and efficiency gains compared to a skip-sampling approach.
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Double-diffusive erosion of the core of Jupiter
We present Direct Numerical Simulations of the transport of heat and heavy elements across a double-diffusive interface or a double-diffusive staircase, in conditions that are close to those one may expect to find near the boundary between the heavy-element rich core and the hydrogen-helium envelope of giant planets such as Jupiter. We find that the non-dimensional ratio of the buoyancy flux associated with heavy element transport to the buoyancy flux associated with heat transport lies roughly between 0.5 and 1, which is much larger than previous estimates derived by analogy with geophysical double-diffusive convection. Using these results in combination with a core-erosion model proposed by Guillot et al. (2004), we find that the entire core of Jupiter would be eroded within less than 1Myr assuming that the core-envelope boundary is composed of a single interface. We also propose an alternative model that is more appropriate in the presence of a well-established double-diffusive staircase, and find that in this limit a large fraction of the core could be preserved. These findings are interesting in the context of Juno's recent results, but call for further modeling efforts to better understand the process of core erosion from first principles.
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Classifying Exoplanets with Gaussian Mixture Model
Recently, Odrzywolek and Rafelski (arXiv:1612.03556) have found three distinct categories of exoplanets, when they are classified based on density. We first carry out a similar classification of exoplanets according to their density using the Gaussian Mixture Model, followed by information theoretic criterion (AIC and BIC) to determine the optimum number of components. Such a one-dimensional classification favors two components using AIC and three using BIC, but the statistical significance from both the tests is not significant enough to decisively pick the best model between two and three components. We then extend this GMM-based classification to two dimensions by using both the density and the Earth similarity index (arXiv:1702.03678), which is a measure of how similar each planet is compared to the Earth. For this two-dimensional classification, both AIC and BIC provide decisive evidence in favor of three components.
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Competing effects of Hund's splitting and symmetry-breaking perturbations on electronic order in Pb$_{1-x}$Sn$_{x}$Te
We study the effect of a uniform external magnetization on p-wave superconductivity on the (001) surface of the crystalline topological insulator(TCI) Pb$_{1-x}$Sn$_{x}$Te. It was shown by us in an earlier work that a chiral p-wave finite momentum pairing (FFLO) state can be stabilized in this system in the presence of weak repulsive interparticle interactions. In particular, the superconducting instability is very sensitive to the Hund's interaction in the multiorbital TCI, and no instabilities are found to be possible for the "wrong" sign of the Hund's splitting. Here we show that for a finite Hund's splitting of interactions, a significant value of the external magnetization is needed to degrade the surface superconductivity, while in the absence of the Hund's interaction, an arbitrarily small external magnetization can destroy the superconductivity. This implies that multiorbital effects in this system play an important role in stabilizing electronic order on the surface.
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Partition function of Chern-Simons theory as renormalized q-dimension
We calculate $q$-dimension of $k$-th Cartan power of fundamental representation $\Lambda_0$, corresponding to affine root of affine simply laced Kac-Moody algebras, and show that in the limit $q\rightarrow 1 $, and with natural renormalization, it is equal to universal partition function of Chern-Simons theory on three-dimensional sphere.
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Task Recommendation in Crowdsourcing Based on Learning Preferences and Reliabilities
Workers participating in a crowdsourcing platform can have a wide range of abilities and interests. An important problem in crowdsourcing is the task recommendation problem, in which tasks that best match a particular worker's preferences and reliabilities are recommended to that worker. A task recommendation scheme that assigns tasks more likely to be accepted by a worker who is more likely to complete it reliably results in better performance for the task requester. Without prior information about a worker, his preferences and reliabilities need to be learned over time. In this paper, we propose a multi-armed bandit (MAB) framework to learn a worker's preferences and his reliabilities for different categories of tasks. However, unlike the classical MAB problem, the reward from the worker's completion of a task is unobservable. We therefore include the use of gold tasks (i.e., tasks whose solutions are known \emph{a priori} and which do not produce any rewards) in our task recommendation procedure. Our model could be viewed as a new variant of MAB, in which the random rewards can only be observed at those time steps where gold tasks are used, and the accuracy of estimating the expected reward of recommending a task to a worker depends on the number of gold tasks used. We show that the optimal regret is $O(\sqrt{n})$, where $n$ is the number of tasks recommended to the worker. We develop three task recommendation strategies to determine the number of gold tasks for different task categories, and show that they are order optimal. Simulations verify the efficiency of our approaches.
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Elliptic Weight Functions and Elliptic q-KZ Equation
By using representation theory of the elliptic quantum group U_{q,p}(sl_N^), we present a systematic method of deriving the weight functions. The resultant sl_N type elliptic weight functions are new and give elliptic and dynamical analogues of those obtained in the trigonometric case. We then discuss some basic properties of the elliptic weight functions. We also present an explicit formula for formal elliptic hypergeometric integral solution to the face type, i.e. dynamical, elliptic q-KZ equation.
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Formal duality in finite cyclic groups
The notion of formal duality in finite Abelian groups appeared recently in relation to spherical designs, tight sphere packings, and energy minimizing configurations in Euclidean spaces. For finite cyclic groups it is conjectured that there are no primitive formally dual pairs besides the trivial one and the TITO configuration. This conjecture has been verified for cyclic groups of prime power order, as well as of square-free order. In this paper, we will confirm the conjecture for other classes of cyclic groups, namely almost all cyclic groups of order a product of two prime powers, with finitely many exceptions for each pair of primes, or whose order $N$ satisfies $p\mid\!\mid N$, where $p$ a prime satisfying the so-called self-conjugacy property with respect to $N$. For the above proofs, various tools were needed: the field descent method, used chiefly for the circulant Hadamard conjecture, the techniques of Coven & Meyerowitz for sets that tile $\mathbb{Z}$ or $\mathbb{Z}_N$ by translations, dubbed herein as the polynomial method, as well as basic number theory of cyclotomic fields, especially the splitting of primes in a given cyclotomic extension.
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Nonlinear Dynamics of Binocular Rivalry: A Comparative Study
When our eyes are presented with the same image, the brain processes it to view it as a single coherent one. The lateral shift in the position of our eyes, causes the two images to possess certain differences, which our brain exploits for the purpose of depth perception and to gauge the size of objects at different distances, a process commonly known as stereopsis. However, when presented with two different visual stimuli, the visual awareness alternates. This phenomenon of binocular rivalry is a result of competition between the corresponding neuronal populations of the two eyes. The article presents a comparative study of various dynamical models proposed to capture this process. It goes on to study the effect of a certain parameter on the rate of perceptual alternations and proceeds to disprove the initial propositions laid down to characterise this phenomenon. It concludes with a discussion on the possible future work that can be conducted to obtain a better picture of the neuronal functioning behind this rivalry.
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Nonstandard Analysis and Constructivism!
Almost two decades ago, Wattenberg published a paper with the title 'Nonstandard Analysis and Constructivism?' in which he speculates on a possible connection between Nonstandard Analysis and constructive mathematics. We study Wattenberg's work in light of recent research on the aforementioned connection. On one hand, with only slight modification, some of Wattenberg's theorems in Nonstandard Analysis are seen to yield effective and constructive theorems (not involving Nonstandard Analysis). On the other hand, we establish the incorrectness of some of Wattenberg's (explicit and implicit) claims regarding the constructive status of the axioms Transfer and Standard Part of Nonstandard Analysis.
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Text-Independent Speaker Verification Using 3D Convolutional Neural Networks
In this paper, a novel method using 3D Convolutional Neural Network (3D-CNN) architecture has been proposed for speaker verification in the text-independent setting. One of the main challenges is the creation of the speaker models. Most of the previously-reported approaches create speaker models based on averaging the extracted features from utterances of the speaker, which is known as the d-vector system. In our paper, we propose an adaptive feature learning by utilizing the 3D-CNNs for direct speaker model creation in which, for both development and enrollment phases, an identical number of spoken utterances per speaker is fed to the network for representing the speakers' utterances and creation of the speaker model. This leads to simultaneously capturing the speaker-related information and building a more robust system to cope with within-speaker variation. We demonstrate that the proposed method significantly outperforms the traditional d-vector verification system. Moreover, the proposed system can also be an alternative to the traditional d-vector system which is a one-shot speaker modeling system by utilizing 3D-CNNs.
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Sequential identification of nonignorable missing data mechanisms
With nonignorable missing data, likelihood-based inference should be based on the joint distribution of the study variables and their missingness indicators. These joint models cannot be estimated from the data alone, thus requiring the analyst to impose restrictions that make the models uniquely obtainable from the distribution of the observed data. We present an approach for constructing classes of identifiable nonignorable missing data models. The main idea is to use a sequence of carefully set up identifying assumptions, whereby we specify potentially different missingness mechanisms for different blocks of variables. We show that the procedure results in models with the desirable property of being non-parametric saturated.
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Image Stitching by Line-guided Local Warping with Global Similarity Constraint
Low-textured image stitching remains a challenging problem. It is difficult to achieve good alignment and it is easy to break image structures due to insufficient and unreliable point correspondences. Moreover, because of the viewpoint variations between multiple images, the stitched images suffer from projective distortions. To solve these problems, this paper presents a line-guided local warping method with a global similarity constraint for image stitching. Line features which serve well for geometric descriptions and scene constraints, are employed to guide image stitching accurately. On one hand, the line features are integrated into a local warping model through a designed weight function. On the other hand, line features are adopted to impose strong geometric constraints, including line correspondence and line colinearity, to improve the stitching performance through mesh optimization. To mitigate projective distortions, we adopt a global similarity constraint, which is integrated with the projective warps via a designed weight strategy. This constraint causes the final warp to slowly change from a projective to a similarity transformation across the image. Finally, the images undergo a two-stage alignment scheme that provides accurate alignment and reduces projective distortion. We evaluate our method on a series of images and compare it with several other methods. The experimental results demonstrate that the proposed method provides a convincing stitching performance and that it outperforms other state-of-the-art methods.
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