arXiv subjects

Lijun Zhang

Publications and source records attributed to Lijun Zhang.

At least 289 records · Page 16Linked to original sources

arXiv2015

Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides

Recent discovery of high-temperature superconductivity (Tc = 190 K) in sulfur hydrides at megabar pressures breaks the traditional belief on the Tc limit of 40 K for conventional superconductors, and open up the doors in searching new high-temperature superconductors in compounds made up of light elements. Selenium is a sister and isoelectronic element of sulfur, with a larger atomic core and a weaker electronegativity. Whether selenium hydrides share similar high-temperature superconductivity remains elusive, but it is a subject of considerable interest. First-principles swarm structure predictions are performed in an effort to seek for energetically stable and metallic selenium hydrides at high pressures. We find the phase diagram of selenium hydrides is rather different from its sulfur analogy, which is indicates by the emergence of new phases and the change of relative stabilities. Three stable and metallic species with stoichiometries of HSe2, HSe and H3Se are identified above ~120 GPa and they all exhibit superconductive behaviors, of which the hydrogen-rich HSe and H3Se phases show high Tc in the range of 40-110 K. Our simulations established the high-temperature superconductive nature of selenium hydrides and provided useful route for experimental verification.

cond-mat.supr-con↗

arXiv2015

A Simple Probabilistic Extension of Modal Mu-calculus

Probabilistic systems are an important theme in AI domain. As the specification language, the logic PCTL is now the default logic for reasoning about probabilistic properties. In this paper, we present a natural and succinct probabilistic extension of mu-calculus, another prominent logic in the concurrency theory. We study the relationship with PCTL. Interestingly, the expressiveness is highly orthogonal with PCTL. The proposed logic captures some useful properties which cannot be expressed in PCTL. We investigate the model checking and satisfiability problem, and show that the model checking problem is in UP and co-UP, and the satisfiability checking can be decided via reducing into solving parity games. This is in contrast to PCTL as well, whose satisfiability checking is still an open problem.

cs.LO↗

arXiv2015

An Explicit Sampling Dependent Spectral Error Bound for Column Subset Selection

In this paper, we consider the problem of column subset selection. We present a novel analysis of the spectral norm reconstruction for a simple randomized algorithm and establish a new bound that depends explicitly on the sampling probabilities. The sampling dependent error bound (i) allows us to better understand the tradeoff in the reconstruction error due to sampling probabilities, (ii) exhibits more insights than existing error bounds that exploit specific probability distributions, and (iii) implies better sampling distributions. In particular, we show that a sampling distribution with probabilities proportional to the square root of the statistical leverage scores is always better than uniform sampling and is better than leverage-based sampling when the statistical leverage scores are very nonuniform. And by solving a constrained optimization problem related to the error bound with an efficient bisection search we are able to achieve better performance than using either the leverage-based distribution or that proportional to the square root of the statistical leverage scores. Numerical simulations demonstrate the benefits of the new sampling distributions for low-rank matrix approximation and least square approximation compared to state-of-the art algorithms.

math.NA↗

arXiv2015

Lazy Probabilistic Model Checking without Determinisation

The bottleneck in the quantitative analysis of Markov chains and Markov decision processes against specifications given in LTL or as some form of nondeterministic Büchi automata is the inclusion of a determinisation step of the automaton under consideration. In this paper, we show that full determinisation can be avoided: subset and breakpoint constructions suffice. We have implemented our approach---both explicit and symbolic versions---in a prototype tool. Our experiments show that our prototype can compete with mature tools like PRISM.

cs.LO↗

arXiv2015

Tellurium Hydrides at High Pressures: High-temperature Superconductors

Observation of high-temperature superconductivity in sulfur hydrides at megabar pressures has generated an irresistible wave on searching for new superconductors in other compressed hydrogen-rich compounds. An immediate effort is towards exploration of the relevant candidate of tellurium hydrides, where tellurium is isoelectronic to sulfur but it has a heavier atomic mass and much weaker electronegativity. The hitherto unknown phase diagram of tellurium hydrides at high pressures was investigated by a first-principles swarm structure search. Four energetically stable and metallic stoichiometries of H4Te, H5Te2, HTe and HTe3 were uncovered above 140 GPa, showing a distinct potential energy map of tellurium hydrides from those in sulfur and selenium hydrides. The two hydrogen-rich H4Te and H5Te2 species adopt ionic structures containing exotic quasi-molecular H2 and linear H3 units, respectively. Strong electron-phonon couplings associated with the intermediate-frequency H-derived wagging and bending modes make them good superconductors with high Tc in the range of 46-104 K.

cond-mat.supr-con↗

arXiv2015

N$_2$H: A Novel Polymeric Hydronitrogen as a High Energy Density Material

The polymeric phase of nitrogen connected by the lower (than three) order N-N bonds has been long sought after for the potential application as high energy density materials. Here we report a hitherto unknown polymeric N$_2$H phase discovered in the high-pressure hydronitrogen system by first-principle structure search method based on particle swarm optimization algorithm. This polymeric hydronitrogen consists of quasi-one-dimensional infinite armchair-like polymeric N chains, where H atoms bond with two adjacent N located at one side of armchair edge. It is energetically stable against decomposition above ~33 GPa, and shows novel metallic feature as the result of pressure-enhanced charge transfer and delocalization of π electrons within the infinite nitrogen chains. The high energy density (~4.40 KJ/g), high nitrogen content (96.6%), as well as relatively low stabilization pressure, make it a possible candidate for high energy density applications. It also has lattice dynamical stability down to the ambient pressure, allowing for the possibility of kinetic stability with respect to variations of external conditions. Experimental synthesis of this novel phase is called for.

cond-mat.mtrl-sci↗

arXiv2015

Tuning Optical Properties of Transparent Conducting Barium Stannate by Dimensional Reduction

We report calculations of the electronic structure and optical properties of doped $n$-type perovskite BaSnO3 and layered perovskites. While doped BaSnO$_3$ retains its transparency for energies below the valence to conduction band onset, the doped layered compounds exhibit below band edge optical conductivity due to transitions from the lowest conduction band. This gives absorption in the visible for Ba2SnO4. Thus it is important to minimize this phase in transparent conducting oxide (TCO) films. Ba3Sn2O7 and Ba4Sn3O10 have strong transitions only in the red and infrared, respectively. Thus there may be opportunities for using these as wavelength filtering TCO.

cond-mat.mtrl-sci↗

arXiv2014

Model Checking CSL for Markov Population Models

Markov population models (MPMs) are a widely used modelling formalism in the area of computational biology and related areas. The semantics of a MPM is an infinite-state continuous-time Markov chain. In this paper, we use the established continuous stochastic logic (CSL) to express properties of Markov population models. This allows us to express important measures of biological systems, such as probabilistic reachability, survivability, oscillations, switching times between attractor regions, and various others. Because of the infinite state space, available analysis techniques only apply to a very restricted subset of CSL properties. We present a full algorithm for model checking CSL for MPMs, and provide experimental evidence showing that our method is effective.

math.NA↗

arXiv2014

Probably Safe or Live

This paper presents a formal characterisation of safety and liveness properties à la Alpern and Schneider for fully probabilistic systems. As for the classical setting, it is established that any (probabilistic tree) property is equivalent to a conjunction of a safety and liveness property. A simple algorithm is provided to obtain such property decomposition for flat probabilistic CTL (PCTL). A safe fragment of PCTL is identified that provides a sound and complete characterisation of safety properties. For liveness properties, we provide two PCTL fragments, a sound and a complete one. We show that safety properties only have finite counterexamples, whereas liveness properties have none. We compare our characterisation for qualitative properties with the one for branching time properties by Manolios and Trefler, and present sound and complete PCTL fragments for characterising the notions of strong safety and absolute liveness coined by Sistla.

cs.LO↗

arXiv2014

Fast LTL Satisfiability Checking by SAT Solvers

Satisfiability checking for Linear Temporal Logic (LTL) is a fundamental step in checking for possible errors in LTL assertions. Extant LTL satisfiability checkers use a variety of different search procedures. With the sole exception of LTL satisfiability checking based on bounded model checking, which does not provide a complete decision procedure, LTL satisfiability checkers have not taken advantage of the remarkable progress over the past 20 years in Boolean satisfiability solving. In this paper, we propose a new LTL satisfiability-checking framework that is accelerated using a Boolean SAT solver. Our approach is based on the variant of the \emph{obligation-set method}, which we proposed in earlier work. We describe here heuristics that allow the use of a Boolean SAT solver to analyze the obligations for a given LTL formula. The experimental evaluation indicates that the new approach provides a a significant performance advantage.

cs.LO↗

arXiv2014

When Equivalence and Bisimulation Join Forces in Probabilistic Automata

Probabilistic automata were introduced by Rabin in 1963 as language acceptors. Two automata are equivalent if and only if they accept each word with the same probability. On the other side, in the process algebra community, probabilistic automata were re-proposed by Segala in 1995 which are more general than Rabin's automata. Bisimulations have been proposed for Segala's automata to characterize the equivalence between them. So far the two notions of equivalences and their characteristics have been studied most independently. In this paper, we consider Segala's automata, and propose a novel notion of distribution based bisimulation by joining the existing equivalence and bisimilarities. Our bisimulation bridges the two closely related concepts in the community, and provides a uniform way of studying their characteristics. We demonstrate the utility of our definition by studying distribution based bisimulation metrics, which gives rise to a robust notion of equivalence for Rabin's automata.

cs.LO↗

arXiv2014

LTLf satisfiability checking

We consider here Linear Temporal Logic (LTL) formulas interpreted over \emph{finite} traces. We denote this logic by LTLf. The existing approach for LTLf satisfiability checking is based on a reduction to standard LTL satisfiability checking. We describe here a novel direct approach to LTLf satisfiability checking, where we take advantage of the difference in the semantics between LTL and LTLf. While LTL satisfiability checking requires finding a \emph{fair cycle} in an appropriate transition system, here we need to search only for a finite trace. This enables us to introduce specialized heuristics, where we also exploit recent progress in Boolean SAT solving. We have implemented our approach in a prototype tool and experiments show that our approach outperforms existing approaches.

cs.LO↗

arXiv2014

High-order S-Lemma with application to stability of a class of switched nonlinear systems

This paper extends some results on the S-Lemma proposed by Yakubovich and uses the improved results to investigate the asymptotic stability of a class of switched nonlinear systems. Firstly, the strict S-Lemma is extended from quadratic forms to homogeneous functions with respect to any dilation, where the improved S-Lemma is named the strict homogeneous S-Lemma (the SHS-Lemma for short). In detail, this paper indicates that the strict S-Lemma does not necessarily hold for homogeneous functions that are not quadratic forms, and proposes a necessary and sufficient condition under which the SHS-Lemma holds. It is well known that a switched linear system with two sub-systems admits a Lyapunov function with homogeneous derivative (LFHD for short), if and only if it has a convex combination of the vector fields of its two sub-systems that admits a LFHD. In this paper, it is shown that this conclusion does not necessarily hold for a general switched nonlinear system with two sub-systems, and gives a necessary and sufficient condition under which the conclusion holds for a general switched nonlinear system with two sub-systems. It is also shown that for a switched nonlinear system with three or more sub-systems, the "if" part holds, but the "only if" part may not. At last, the S-Lemma is extended from quadratic polynomials to polynomials of degree more than $2$ under some mild conditions, and the improved results are called the homogeneous S-Lemma (the HS-Lemma for short) and the non-homogeneous S-Lemma (the NHS-Lemma for short), respectively. Besides, some examples and counterexamples are given to illustrate the main results.

math.OC↗

arXiv2014

Recovering the Optimal Solution by Dual Random Projection

Random projection has been widely used in data classification. It maps high-dimensional data into a low-dimensional subspace in order to reduce the computational cost in solving the related optimization problem. While previous studies are focused on analyzing the classification performance of using random projection, in this work, we consider the recovery problem, i.e., how to accurately recover the optimal solution to the original optimization problem in the high-dimensional space based on the solution learned from the subspace spanned by random projections. We present a simple algorithm, termed Dual Random Projection, that uses the dual solution of the low-dimensional optimization problem to recover the optimal solution to the original problem. Our theoretical analysis shows that with a high probability, the proposed algorithm is able to accurately recover the optimal solution to the original problem, provided that the data matrix is of low rank or can be well approximated by a low rank matrix.

cs.LG↗

arXiv2014

Binary Excess Risk for Smooth Convex Surrogates

In statistical learning theory, convex surrogates of the 0-1 loss are highly preferred because of the computational and theoretical virtues that convexity brings in. This is of more importance if we consider smooth surrogates as witnessed by the fact that the smoothness is further beneficial both computationally- by attaining an {\it optimal} convergence rate for optimization, and in a statistical sense- by providing an improved {\it optimistic} rate for generalization bound. In this paper we investigate the smoothness property from the viewpoint of statistical consistency and show how it affects the binary excess risk. We show that in contrast to optimization and generalization errors that favor the choice of smooth surrogate loss, the smoothness of loss function may degrade the binary excess risk. Motivated by this negative result, we provide a unified analysis that integrates optimization error, generalization bound, and the error in translating convex excess risk into a binary excess risk when examining the impact of smoothness on the binary excess risk. We show that under favorable conditions appropriate choice of smooth convex loss will result in a binary excess risk that is better than $O(1/\sqrt{n})$.

cs.LG↗

arXiv2014

Beating the Minimax Rate of Active Learning with Prior Knowledge

Active learning refers to the learning protocol where the learner is allowed to choose a subset of instances for labeling. Previous studies have shown that, compared with passive learning, active learning is able to reduce the label complexity exponentially if the data are linearly separable or satisfy the Tsybakov noise condition with parameter $κ=1$. In this paper, we propose a novel active learning algorithm using a convex surrogate loss, with the goal to broaden the cases for which active learning achieves an exponential improvement. We make use of a convex loss not only because it reduces the computational cost, but more importantly because it leads to a tight bound for the empirical process (i.e., the difference between the empirical estimation and the expectation) when the current solution is close to the optimal one. Under the assumption that the norm of the optimal classifier that minimizes the convex risk is available, our analysis shows that the introduction of the convex surrogate loss yields an exponential reduction in the label complexity even when the parameter $κ$ of the Tsybakov noise is larger than $1$. To the best of our knowledge, this is the first work that improves the minimax rate of active learning by utilizing certain priori knowledge.

cs.LG↗

arXiv2014

Late Weak Bisimulation for Markov Automata

Weak bisimilarity is a distribution-based equivalence notion for Markov automata. It has gained some popularity as the coarsest reasonable behavioural equivalence on Markov automata. This paper studies a strictly coarser notion: Late weak bisimilarity enjoys valuable properties if restricting to important subclasses of schedulers: Trace distribution equivalence is implied for partial information schedulers, and compositionality is preserved by distributed schedulers. The intersection of the two scheduler classes thus spans a coarser and still reasonable compositional theory of Markov automata.

cs.FL↗

arXiv2013

Bisimulations and Logical Characterizations on Continuous-time Markov Decision Processes

In this paper we study strong and weak bisimulation equivalences for continuous-time Markov decision processes (CTMDPs) and the logical characterizations of these relations with respect to the continuous-time stochastic logic (CSL). For strong bisimulation, it is well known that it is strictly finer than CSL equivalence. In this paper we propose strong and weak bisimulations for CTMDPs and show that for a subclass of CTMDPs, strong and weak bisimulations are both sound and complete with respect to the equivalences induced by CSL and the sub-logic of CSL without next operator respectively. We then consider a standard extension of CSL, and show that it and its sub-logic without X can be fully characterized by strong and weak bisimulations respectively over arbitrary CTMDPs.

cs.LO↗