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Variable selection is a problem of statistics that aims to find the subset of the $N$-dimensional possible explanatory variables that are truly related to the generation process of the response variable. In high-dimensional setups, where the input dimension $N$ is comparable to the data size $M$, it is difficult to use classic methods based on $p$-values. Therefore, methods based on the ensemble learning are often used. In this review article, we introduce how the performance of these ensemble-based methods can be systematically analyzed using the replica method from statistical mechanics when $N$ and $M$ diverge at the same rate as $N,M\to\infty, M/N\to\alpha\in(0,\infty)$. As a concrete application, we analyze the power of stability selection (SS) and the derandomized knockoff (dKO) with the $\ell_1$-regularized statistics in the high-dimensional linear model. The result indicates that dKO provably outperforms the vanilla knockoff and the standard SS, while increasing the bootstrap resampling rate in SS might further improve the detection power., Comment: 25 pages, 4 figures, 1 table

Kagome superconductors AV3Sb5 (A = K, Rb, Cs) exhibit a characteristic superconducting and charge-density wave (CDW) phase diagram upon carrier doping and chemical substitution. However, the key electronic states responsible for such a phase diagram have yet to be clarified. Here we report a systematic micro-focused angle-resolved photoemission spectroscopy (ARPES) study of Cs(V1-xCrx)3Sb5 as a function of Cr content x, where Cr substitution causes monotonic reduction of superconducting and CDW transition temperatures. We found that the V-derived bands forming saddle points at the M point and Dirac nodes along high-symmetry cuts show an energy shift due to electron doping by Cr substitution, whereas the Sb-derived electron band at the Gamma point remains almost unchanged, signifying an orbital-selective band shift. We also found that band doubling associated with the emergence of three-dimensional CDW identified at x = 0 vanishes at x = 0.25, in line with the disappearance of CDW. A comparison of band diagrams among Ti-, Nb-, and Cr-substituted Cs(V1-xCrx)3Sb5 suggests the importance to simultaneously take into account the two saddle points at the M point and their proximity to the Fermi energy, to understand the complex phase diagram against carrier doping and chemical pressure., Comment: 7 pages, 4 figures

Antiferromagnetic topological insulators (AF TIs) are predicted to exhibit exotic physical properties such as gigantic optical and topological magnetoelectric responses. While a key to achieving such phenomena relies on how to break the symmetry protecting the Dirac-cone surface state (SS) and acquire the mass of Dirac fermions, the mechanism has yet to be clarified. To address this issue, we carried out micro-focused angle-resolved photoemission spectroscopy for GdBi hosting the type-II AF order, and uncovered the stripe-type 2$\times$1 reconstruction of the Fermi surface associated with the AF band folding. Intriguingly, in contrast to NdBi with the type-I AF order displaying the surface-selective Dirac-fermion mass, GdBi shows massless behavior irrespective of AF domains due to the robust topological protection. These results strongly suggest a crucial role of the ThetaTD (time-reversal and translational) symmetry to create the Dirac-fermion mass in AF TIs., Comment: 21 pages, 6 figures

Under-bagging (UB), which combines under-sampling and bagging, is a popular ensemble learning method for training classifiers on an imbalanced data. Using bagging to reduce the increased variance caused by the reduction in sample size due to under-sampling is a natural approach. However, it has recently been pointed out that in generalized linear models, naive bagging, which does not consider the class imbalance structure, and ridge regularization can produce the same results. Therefore, it is not obvious whether it is better to use UB, which requires an increased computational cost proportional to the number of under-sampled data sets, when training linear models. Given such a situation, in this study, we heuristically derive a sharp asymptotics of UB and use it to compare with several other popular methods for learning from imbalanced data, in the scenario where a linear classifier is trained from a two-component mixture data. The methods compared include the under-sampling (US) method, which trains a model using a single realization of the under-sampled data, and the simple weighting (SW) method, which trains a model with a weighted loss on the entire data. It is shown that the performance of UB is improved by increasing the size of the majority class while keeping the size of the minority fixed, even though the class imbalance can be large, especially when the size of the minority class is small. This is in contrast to US, whose performance is almost independent of the majority class size. In this sense, bagging and simple regularization differ as methods to reduce the variance increased by under-sampling. On the other hand, the performance of SW with the optimal weighting coefficients is almost equal to UB, indicating that the combination of reweighting and regularization may be similar to UB., Comment: 31 pages, 14 figures

This study investigates the asymptotic dynamics of alternating minimization applied to optimize a bilinear non-convex function with normally distributed covariates. This is achieved by employing the replica method to a multi-temperature glassy system which unfolds the algorithm's time evolution. Our results show that the dynamics can be described effectively by a two-dimensional discrete stochastic process, where each step depends on all previous time steps, revealing the structure of the memory dependence in the evolution of alternating minimization. The theoretical framework developed in this work can be applied to the analysis of various iterative algorithms, extending beyond the scope of alternating minimization., Comment: 28 pages, 4 figures, Submission to SciPost

We have performed micro-focused angle-resolved photoemission spectroscopy on NdSb which exhibits the type-I antiferromagnetism below TN = 16 K. We succeeded in selectively observing the band structure for all three types of single-q antiferromagnetic (AF) domains at the surface. We found that two of the three surfaces whose AF-ordering vector lies within the surface plane commonly show twofold symmetric surface states (SSs) around the bulk-band edges, whereas the other surface with an out-of-plane AF-ordering vector displays fourfold symmetric shallow electronlike SS at the Brillouin-zone center. We suggest that these SSs commonly originate from the combination of the PT (space-inversion and time-reversal) symmetry breaking at the surface and the band folding due to the AF order. The present results pave a pathway toward understanding the relationship between the symmetry and the surface electronic states in antiferromagnets., Comment: 23 pages, 7 figures

The compressed sensing (CS) model can represent the signal recovery process of a large number of radar systems. The detection problem of such radar systems has been studied in many pieces of literature through the technology of debiased least absolute shrinkage and selection operator (LASSO). While naive LASSO treats all the entries equally, there are many applications in which prior information varies depending on each entry. Weighted LASSO, in which the weights of the regularization terms are tuned depending on the entry-dependent prior, is proven to be more effective with the prior information by many researchers. In the present paper, existing results obtained by methods of statistical mechanics are utilized to derive the debiased weighted LASSO estimator for randomly constructed row-orthogonal measurement matrices. Based on this estimator, we construct a detector, termed the debiased weighted LASSO detector (DWLD), for CS radar systems and prove its advantages. The threshold of this detector can be calculated by false alarm rate, which yields better detection performance than the naive weighted LASSO detector (NWLD) under the Neyman-Pearson principle. The improvement of the detection performance brought by tuning weights is demonstrated by numerical experiments. With the same false alarm rate, the detection probability of DWLD is obviously higher than those of NWLD and the debiased (non-weighted) LASSO detector (DLD).

We analyze the performance of the least absolute shrinkage and selection operator (Lasso) for the linear model when the number of regressors $N$ grows larger keeping the true support size $d$ finite, i.e., the ultra-sparse case. The result is based on a novel treatment of the non-rigorous replica method in statistical physics, which has been applied only to problem settings where $N$ ,$d$ and the number of observations $M$ tend to infinity at the same rate. Our analysis makes it possible to assess the average performance of Lasso with Gaussian sensing matrices without assumptions on the scaling of $N$ and $M$, the noise distribution, and the profile of the true signal. Under mild conditions on the noise distribution, the analysis also offers a lower bound on the sample complexity necessary for partial and perfect support recovery when $M$ diverges as $M = O(\log N)$. The obtained bound for perfect support recovery is a generalization of that given in previous literature, which only considers the case of Gaussian noise and diverging $d$. Extensive numerical experiments strongly support our analysis., Comment: To appear in AISTATS 2023

Generalized approximate message passing (GAMP) is a computationally efficient algorithm for estimating an unknown signal $w_0\in\mathbb{R}^N$ from a random linear measurement $y= Xw_0 + \epsilon\in\mathbb{R}^M$, where $X\in\mathbb{R}^{M\times N}$ is a known measurement matrix and $\epsilon$ is the noise vector. The salient feature of GAMP is that it can provide an unbiased estimator $\hat{r}^{\rm G}\sim\mathcal{N}(w_0, \hat{s}^2I_N)$, which can be used for various hypothesis-testing methods. In this study, we consider the bootstrap average of an unbiased estimator of GAMP for the elastic net. By numerically analyzing the state evolution of \emph{approximate message passing with resampling}, which has been proposed for computing bootstrap statistics of the elastic net estimator, we investigate when the bootstrap averaging reduces the variance of the unbiased estimator and the effect of optimizing the size of each bootstrap sample and hyperparameter of the elastic net regularization in the asymptotic setting $M, N\to\infty, M/N\to\alpha\in(0,\infty)$. The results indicate that bootstrap averaging effectively reduces the variance of the unbiased estimator when the actual data generation process is inconsistent with the sparsity assumption of the regularization and the sample size is small. Furthermore, we find that when $w_0$ is less sparse, and the data size is small, the system undergoes a phase transition. The phase transition indicates the existence of the region where the ensemble average of unbiased estimators of GAMP for the elastic net norm minimization problem yields the unbiased estimator with the minimum variance., Comment: 6 pages, 5 figures

Recently discovered kagome superconductors AV3Sb5 (A = K, Rb, Cs) exhibit exotic bulk and surface physical properties such as charge-density wave (CDW) and chirality, whereas their origins remain unresolved. By using micro-focused angle-resolved photoemission spectroscopy, we discovered that AV3Sb5 commonly exhibits two distinct polar surfaces depending on the termination; electron- and hole-doped ones for the A- and Sb-termination, respectively. We observed that the kagome-derived band shows a clear splitting in the A-terminated surface while it is absent in the Sb-terminated counterpart, indicative of the polarity-dependent CDW at the surface. Close comparison of the band-dependent splitting reveals that the three-dimensional CDW structure of the K-terminated surface is different from that of the Rb- or Cs-terminated surface, suggesting the diversity of the CDW ground state. These results provide important insight into the origin of CDW in kagome superconductors AV3Sb5., Comment: 10 pages, 8 figures

Interplay between fermiology and electron correlation is crucial for realizing exotic quantum phases. Transition-metal dichalcogenide (TMD) 1T-TaS2 has sparked a tremendous attention owing to its unique Mott-insulating phase coexisting with the charge-density wave (CDW). However, how the fermiology and electron correlation are associated with such properties has yet to be claried. Here we demonstrate that monolayer 1T-NbTe2 is a new class of two-dimensional TMD which has the star-of-David lattice similarly to bulk TaS2 and isostructural monolayer NbSe2, but exhibits a metallic ground state with an unusual lattice periodicity root19xroot19 characterized by the sparsely occupied star-of-David lattice. By using angle-resolved photoemission and scanning-tunneling spectroscopies in combination with first-principles band-structure calculations, we found that the hidden Fermi-surface nesting and associated CDW formation are a primary cause to realize this unique correlated metallic state with no signature of Mott gap. The present result points to a vital role of underlying fermiology to characterize the Mott phase of TMDs., Comment: To be published in Physical Review B

We performed angle-resolved photoemission spectroscopy with micro-focused beam on a topological line-nodal compound CaSb2 which undergoes a superconducting transition at the onset Tc~1.8 K, to clarify the Fermi-surface topology relevant to the occurrence of superconductivity. We found that a three-dimensional hole pocket at the G point is commonly seen for two types of single-crystalline samples fabricated by different growth conditions. On the other hand, the carrier-doping level estimated from the position of the chemical potential was found to be sensitive to the sample fabrication condition. The cylindrical electron pocket at the Y(C) point predicted by the calculations is absent in one of the two samples, despite the fact that both samples commonly show superconductivity with similar Ts's. This suggests a key role of the three-dimensional hole pocket to the occurrence of superconductivity, and further points to an intriguing possibility to control the topological nature of superconductivity by carrier tuning in CaSb2., Comment: 7 pages, 3 figures

Compressed sensing (CS) model of complex-valued data can represent the signal recovery process of a large amount types of radar systems, especially when the measurement matrix is row-orthogonal. Based on debiased least absolute shrinkage and selection operator (LASSO), detection problem under Gaussian random design model, i.e. the elements of measurement matrix are drawn from Gaussian distribution, is studied by literature. However, we find that these approaches are not suitable for row-orthogonal measurement matrices, which are of more practical relevance. In view of statistical mechanics approaches, we provide derivations of more accurate test statistics and thresholds (or p-values) under the row-orthogonal design model, and theoretically analyze the detection performance of the present detector. Such detector can analytically provide the threshold according to given false alarm rate, which is not possible with the conventional CS detector, and the detection performance is proved to be better than that of the traditional LASSO detector. Comparing with other debiased LASSO based detectors, simulation results indicate that the proposed approach can achieve more accurate probability of false alarm when the measurement matrix is row-orthogonal, leading to better detection performance under Neyman-Pearson principle., Comment: 43 pages, 7 figures

Polar surface and interface play a pivotal role for realizing exotic properties of materials, and a search for such polar states is of crucial importance for expanding materials' functionality. Here we report micro-focused angle-resolved photoemission spectroscopy of CsV3Sb5, a member of recently discovered kagome superconductors AV3Sb5 (A = K, Rb, Cs), and show evidence for the polar nature of cleaved surface which is characterized by Cs- and Sb-terminated surfaces with markedly different fermiology. The Cs-terminated surface shows intriguing doubling of V-derived bands at low temperature associated with the band folding due to the three-dimensional charge-density wave (CDW), whereas the Sb-terminated one shows no band doubling or resultant CDW-gap opening indicative of the suppression of bulk-originated CDW due to polar charge. Such polar-surface-dependent band structure must be incorporated for understanding the origin of unconventional superconducting and charge order at the surface of AV3Sb5., Comment: 10 pages, 13 figures

Kagome lattices offer a fertile ground to explore exotic quantum phenomena associated with electron correlation and band topology. The recent discovery of superconductivity coexisting with charge-density wave (CDW) in the kagome metals KV3Sb5, RbV3Sb5, and CsV3Sb5 suggests an intriguing entanglement of electronic order and superconductivity. However, the microscopic origin of CDW, a key to understanding the superconducting mechanism and its possible topological nature, remains elusive. Here, we report angle-resolved photoemission spectroscopy of KV3Sb5 and demonstrate a substantial reconstruction of Fermi surface in the CDW state that accompanies the formation of small three-dimensional pockets. The CDW gap exhibits a periodicity of undistorted Brillouin zone along the out-of-plane wave vector, signifying a dominant role of the in-plane inter-saddle-point scattering to the mechanism of CDW. The characteristics of experimental band dispersion can be captured by first-principles calculations with the inverse star-of-David structural distortion. The present result indicates a direct link between the low-energy excitations and CDW, and puts constraints on the microscopic theory of superconductivity in alkali-metal kagome lattices., Comment: 25 pages, 3 figures

Self-training (ST) is a simple yet effective semi-supervised learning method. However, why and how ST improves generalization performance by using potentially erroneous pseudo-labels is still not well understood. To deepen the understanding of ST, we derive and analyze a sharp characterization of the behavior of iterative ST when training a linear classifier by minimizing the ridge-regularized convex loss on binary Gaussian mixtures, in the asymptotic limit where input dimension and data size diverge proportionally. The results show that ST improves generalization in different ways depending on the number of iterations. When the number of iterations is small, ST improves generalization performance by fitting the model to relatively reliable pseudo-labels and updating the model parameters by a large amount at each iteration. This suggests that ST works intuitively. On the other hand, with many iterations, ST can gradually improve the direction of the classification plane by updating the model parameters incrementally, using soft labels and small regularization. It is argued that this is because the small update of ST can extract information from the data in an almost noiseless way. However, in the presence of label imbalance, the generalization performance of ST underperforms supervised learning with true labels. To overcome this, two heuristics are proposed to enable ST to achieve nearly compatible performance with supervised learning even with significant label imbalance., Comment: 65 pages, 13 figures

Kagome metals AV3Sb5 (A = K, Rb, and Cs) exhibit a characteristic superconducting ground state coexisting with charge-density wave (CDW), whereas the mechanisms of the superconductivity and CDW have yet to be clarified. Here we report a systematic ARPES study of Cs(V1-xNbx)3Sb5 as a function of Nb content x, where isovalent Nb substitution causes an enhancement of superconducting transition temperature (Tc) and the reduction of CDW temperature (TCDW). We found that the Nb substitution shifts the Sb-derived electron band at the Gamma point downward and simultaneously moves the V-derived band around the M point upward to lift up the saddle point (SP) away from the Fermi level, leading to the reduction of CDW-gap magnitude and TCDW. This indicates a primary role of the SP density of states to stabilize CDW. The present result also suggests that the enhancement of superconductivity by Nb substitution is caused by the cooperation between the expansion of the Sb-derived electron pocket and the recovery of the V-derived density of states at the Fermi level., Comment: 6 pages, 3 figures

Kagome metals AV3Sb5 (A = K, Rb, and Cs) exhibit a unique superconducting ground state coexisting with charge-density wave (CDW), whereas how these characteristics are affected by carrier doping remains unexplored because of the lack of an efficient carrier-doping method. Here we report successful electron doping to CsV3Sb5 by Cs dosing, as visualized by angle-resolved photoemission spectroscopy. We found that the electron doping with Cs dosing proceeds in an orbital-selective way, as characterized by a marked increase in electron filling of the Sb 5pz and V 3dxz/yz bands as opposed to relatively insensitive nature of the V 3dxy/x2-y2 bands. By monitoring the temperature evolution of the CDW gap around the M point, we found that the CDW can be completely killed by Cs dosing while keeping the saddle point with the V 3dxy/x2-y2 character almost pinned at the Fermi level. The present result suggests a crucial role of multi-orbital effect to the occurrence of CDW, and provides an important step toward manipulating the CDW and superconductivity in AV3Sb5., Comment: 7 pages, 3 figures

Knapsack problem (KP) is a representative combinatorial optimization problem that aims to maximize the total profit by selecting a subset of items under given constraints on the total weights. In this study, we analyze a generalized version of KP, which is termed the generalized multidimensional knapsack problem (GMDKP). As opposed to the basic KP, GMDKP allows multiple choices per item type under multiple weight constraints. Although several efficient algorithms are known and the properties of their solutions have been examined to a significant extent for basic KPs, there is a paucity of known algorithms and studies on the solution properties of GMDKP. To gain insight into the problem, we assess the typical achievable limit of the total profit for a random ensemble of GMDKP using the replica method. Our findings are summarized as follows: (1) When the profits of item types are normally distributed, the total profit grows in the leading order with respect to the number of item types as the maximum number of choices per item type $x^{\rm max}$ increases while it depends on $x^{\rm max}$ only in a sub-leading order if the profits are constant among the item types. (2) A greedy-type heuristic can find a nearly optimal solution whose total profit is lower than the optimal value only by a sub-leading order with a low computational cost. (3) The sub-leading difference from the optimal total profit can be improved by a heuristic algorithm based on the cavity method. Extensive numerical experiments support these findings., Comment: 21 pages with 7 figures

In Markov-chain Monte Carlo simulations, estimating statistical errors or confidence intervals of numerically obtained values is an essential task. In this paper, we review several methods for error estimation, such as simple empirical estimation with multiple independent runs, the blocking method, and the stationary bootstrap method. We then study their performance when applied to an actual Monte-Carlo time series. We find that the stationary bootstrap method gives a reasonable and stable estimation for any quantity using only one single time series. In contrast, the simple estimation with few independent runs can be demonstratively erroneous. We further discuss the potential use of the stationary bootstrap method in numerical simulations., Comment: 11 pages, 6 figures

Combination of low-dimensionality and electron correlation is vital for exotic quantum phenomena such as the Mott-insulating phase and high-temperature superconductivity. Transition-metal dichalcogenide (TMD) 1T-TaS2 has evoked great interest owing to its unique nonmagnetic Mott-insulator nature coupled with a charge-density-wave (CDW). To functionalize such a complex phase, it is essential to enhance the CDW-Mott transition temperature TCDW-Mott, whereas this was difficult for bulk TMDs with TCDW-Mott < 200 K. Here we report a strong-coupling 2D CDW-Mott phase with a transition temperature onset of ~530 K in monolayer 1T-TaSe2. Furthermore, the electron correlation derived lower Hubbard band survives under external perturbations such as carrier doping and photoexcitation, in contrast to the bulk counterpart. The enhanced Mott-Hubbard and CDW gaps for monolayer TaSe2 compared to NbSe2, originating in the lattice distortion assisted by strengthened correlations and disappearance of interlayer hopping, suggest stabilization of a likely nonmagnetic CDW-Mott insulator phase well above the room temperature. The present result lays the foundation for realizing monolayer CDW-Mott insulator based devices operating at room temperature.

Quasiparticle - a key concept to describe interacting particles - characterizes electron-electron interaction in metals (Fermi liquid) and electron pairing in superconductors. While this concept essentially relies on the simplification of hard-to-solve many-body problem into one-particle picture and residual effects, a difficulty in disentangling many-body effects from experimental quasiparticle signature sometimes hinders unveiling intrinsic low-energy dynamics, as highlighted by the fierce controversy on the origin of Dirac-band anomaly in graphene and dispersion kink in high-temperature superconductors. Here, we propose an approach to solve this fundamental problem - the Bayesian modelling of quasiparticles. We have chosen a topological insulator $\mathrm{TlBi(S,Se)_2}$ as a model system to formulate an inverse problem of quasiparticle spectra with semiparametric Bayesian analysis, and successfully extracted one-particle and many-body characteristics, i.e. the intrinsic energy gap and unusual lifetime in Dirac-quasiparticle bands. Our approach is widely applicable to clarify the quasiparticle dynamics of quantum materials.

Kagome metals AV3Sb5 (A = K, Rb, and Cs) exhibit superconductivity at 0.9-2.5 K and charge-density wave (CDW) at 78-103 K. Key electronic states associated with the CDW and superconductivity remain elusive. Here, we investigate low-energy excitations of CsV3Sb5 by angle-resolved photoemission spectroscopy. We found an energy gap of 70-100 meV at the Dirac-crossing points of linearly dispersive bands, pointing to an importance of spin-orbit coupling. We also found a signature of strongly Fermi-surface and momentum-dependent CDW gap characterized by the larger energy gap of maximally 70 meV for a band forming a saddle point around the M point, the smaller (0-18 meV) gap for a band forming massive Dirac cones, and a zero gap at the Gamma-centered electron pocket. The observed highly anisotropic CDW gap which is enhanced around the M point signifies an importance of scattering channel connecting the saddle points, laying foundation for understanding the nature of CDW and superconductivity in AV3Sb5., Comment: 10 pages, 9 figures

Three dimensionally curved graphene with a wide range of curvature radii from 25 nm to 1000 nm demonstrates that nano-scale curvature is a new degree of freedom to tune the transport properties of graphene by manipulating 2D electron kinetics on 3D curved surfaces.

We have performed angle-resolved photoemission spectroscopy on EuIn2As2 which is predicted to be an axion insulator in the antiferromagnetic state. By utilizing soft-x-ray and vacuum-ultraviolet photons, we revealed a three-dimensional hole pocket centered at the Gamma point of bulk Brillouin zone together with a heavily hole-doped surface state in the paramagnetic phase. Upon entering the antiferromagnetic phase, the band structure exhibits a marked reconstruction characterized by the emergence of a "M"-shaped bulk band near the Fermi level. The qualitative agreement with first-principles band-structure calculations suggests the occurrence of bulk-band inversion at the Gamma point in the antiferromagnetic phase. We suggest that EuIn2As2 provides a good opportunity to study the exotic quantum phases associated with possible axion-insulator phase., Comment: 8 pages, 5 figures

We investigated the Dirac-cone state and its modulation when an ultrathin film of topological insulator Bi2Se3 was epitaxially grown on a van-der-Waals ferromagnet Cr2Si2Te6 (CST) by angle-resolved photoemission spectroscopy. We observed a gapless Dirac-cone surface state in 6 quintuple-layer (QL) Bi2Se3 on CST, whereas the Dirac cone exhibits a gap of 0.37 eV in 2QL counterpart. Intriguingly, this gap is much larger than those for Bi2Se3 films on Si(111). We also revealed no discernible change in the gap magnitude across the ferromagnetic transition of CST, suggesting the very small characteristic length and energy scale of the magnetic proximity effect. The present results suggest a crucial role of interfacial coupling for modulating Dirac electrons in topological-insulator hybrids.

We have performed angle-resolved photoemission spectroscopy of Bi(111) thin films grown on Si(111), and investigated the evolution of band structure with temperature. We revealed an unexpectedly large temperature variation of the energy dispersion for the Rashba-split surface state and the quantum-well states, as seen in the highly momentum-dependent energy shift as large as 0.1 eV. A comparison of the band dispersion between experiment and first-principles band-structure calculations suggests that the interlayer spacing at the topmost Bi bilayer expands upon temperature increase. The present study provides a new pathway for investigating the interplay between lattice and electronic states through the temperature dependence of band structure., Comment: 7 pages, 4 figures

We have performed high-resolution angle-resolved photoemission spectroscopy of ternary pnictide CaAuAs which is predicted to be a three-dimensional topological Dirac semimetal (TDS). By accurately determining the bulk-band structure, we have revealed the coexistence of three-dimensional and quasi-two-dimensional Fermi surfaces with dominant hole carriers. The band structure around the Brillouin-zone center is characterized by an energy overlap between hole and electron pockets, in excellent agreement with first-principles band-structure calculations. This indicates the occurrence of bulk-band inversion, supporting the TDS state in CaAuAs. Because of the high tunability in the chemical composition besides the TDS nature, CaAuAs provides a precious opportunity for investigating the quantum phase transition from TDS to other exotic topological phases., Comment: 6 pages, 4 figures

We consider the variable selection problem of generalized linear models (GLMs). Stability selection (SS) is a promising method proposed for solving this problem. Although SS provides practical variable selection criteria, it is computationally demanding because it needs to fit GLMs to many re-sampled datasets. We propose a novel approximate inference algorithm that can conduct SS without the repeated fitting. The algorithm is based on the replica method of statistical mechanics and vector approximate message passing of information theory. For datasets characterized by rotation-invariant matrix ensembles, we derive state evolution equations that macroscopically describe the dynamics of the proposed algorithm. We also show that their fixed points are consistent with the replica symmetric solution obtained by the replica method. Numerical experiments indicate that the algorithm exhibits fast convergence and high approximation accuracy for both synthetic and real-world data., Comment: 34 pages, 7 figures

Vector approximate message passing (VAMP) is an efficient approximate inference algorithm used for generalized linear models. Although VAMP exhibits excellent performance, particularly when measurement matrices are sampled from rotationally invariant ensembles, existing convergence and performance analyses have been limited mostly to cases in which the correct posterior distribution is available. Here, we extend the analyses for cases in which the correct posterior distribution is not used in the inference stage. We derive state evolution equations, which macroscopically describe the dynamics of VAMP, and show that their fixed point is consistent with the replica symmetric solution obtained by the replica method of statistical mechanics. We also show that the fixed point of VAMP can exhibit a microscopic instability, the critical condition of which agrees with that for breaking the replica symmetry. The results of numerical experiments support our findings., Comment: 22pages, 2 figures

The discovery of high-temperature (Tc) superconductivity in monolayer FeSe on SrTiO3 raised a fundamental question whether high Tc is commonly realized in monolayer iron-based superconductors. Tetragonal FeS is a key material to resolve this issue because bulk FeS is a superconductor with Tc comparable to that of isostructural FeSe. However, difficulty in synthesizing tetragonal monolayer FeS due to its metastable nature has hindered further investigations. Here we report elucidation of band structure of monolayer FeS on SrTiO3, enabled by a unique combination of in-situ topotactic reaction and molecular-beam epitaxy. Our angle-resolved photoemission spectroscopy on FeS and FeSe revealed marked similarities in the electronic structure, such as heavy electron doping and interfacial electron-phonon coupling, both of which have been regarded as possible sources of high Tc in FeSe. However, surprisingly, high-Tc superconductivity is absent in monolayer FeS. This is linked to the weak superconducting pairing in electron-doped multilayer FeS in which the interfacial effects are absent. Our results strongly suggest that the cross-interface electron-phonon coupling enhances Tc only when it cooperates with the pairing interaction inherent to the superconducting layer. This finding provides a key insight to explore new heterointerface high-Tc superconductors., Comment: 6 pages, 3 figures

We have performed angle-resolved photoemission spectroscopy (ARPES) on CeBi which undergoes a two-step antiferromagnetic (AF) transition with temperature. Soft-x-ray ARPES has revealed the inverted band structure at the X point of bulk Brillouin zone for CeBi (and also for LaBi) as opposed to LaSb with non-inverted band structure. Low-energy ARPES on CeBi has revealed the Dirac-cone band at the Gamma point in the paramagnetic phase associated with the bulk band inversion. On the other hand, a double Dirac-cone band appears on entering the first AF phase at T = 25 K, whereas a single Dirac-cone band recovers below the second AF transition at T = 14 K. The present result suggests an intricate interplay between antiferromagnetism and topological surface states in CeBi., Comment: 8 pages, 6 figures

We have performed angle-resolved photoemission spectroscopy (ARPES) on layered ternary compounds ZrGeXc (Xc = S, Se, and Te) with square Ge lattices. ARPES measurements with bulk-sensitive soft-x-ray photons revealed a quasi-two-dimensional bulk-band structure with the bulk nodal loops protected by glide mirror symmetry of the crystal lattice. Moreover, high-resolution ARPES measurements near the Fermi level with vacuum-ultraviolet photons combined with first-principles band-structure calculations elucidated a Dirac-node-arc surface state traversing a tiny spin-orbit gap associated with the nodal loops. We found that this surface state commonly exists in ZrGeXc despite the difference in the shape of nodal loops. The present results suggest that the spin-orbit coupling and the multiple nodal loops cooperatively play a key role in creating the exotic Dirac-node-arc surface states in this class of topological line-node semimetals., Comment: 11 pages, 9 figures

We investigated the electronic structure of monolayer VTe2 grown on bilayer graphene by angle-resolved photoemission spectroscopy (ARPES). We found that monolayer VTe2 takes the octahedral 1T structure in contrast to the monoclinic one in the bulk, as evidenced by the good agreement in the Fermi-surface topology between ARPES results and first-principles band calculations for octahedral monolayer 1T-VTe2. We have revealed that monolayer 1T-VTe2 at low temperature is characterized by a metallic state whereas the nesting condition is better than that of isostructural monolayer VSe2 which undergoes a CDW transition to insulator at low temperature. The present result suggests an importance of Fermi-surface topology for characterizing the CDW properties of monolayer TMDs.

Resampling techniques are widely used in statistical inference and ensemble learning, in which estimators' statistical properties are essential. However, existing methods are computationally demanding, because repetitions of estimation/learning via numerical optimization/integral for each resampled data are required. In this study, we introduce a computationally efficient method to resolve such problem: replicated vector approximate message passing. This is based on a combination of the replica method of statistical physics and an accurate approximate inference algorithm, namely the vector approximate message passing of information theory. The method provides tractable densities without repeating estimation/learning, and the densities approximately offer an arbitrary degree of the estimators' moment in practical time. In the experiment, we apply the proposed method to the stability selection method, which is commonly used in variable selection problems. The numerical results show its fast convergence and high approximation accuracy for problems involving both synthetic and real-world datasets., Comment: 10 pages, 3 figures

We have performed angle-resolved photoemission spectroscopy on a heterostructure consisting of topological insulator Bi2Te3 and iron chalcogenide FeTe fabricated on SrTiO3 substrate by molecular-beam-epitaxy technique. This system was recently found to show superconductivity albeit non-superconducting nature of each constituent material. Upon interfacing FeTe with two quintuple layers of Bi2Te3, we found that the Dirac-cone surface state of Bi2Te3 is shifted toward higher binding energy, while the holelike band at the Fermi level originating from FeTe moves toward lower binding energy. This suggests that electron charge transfer takes place from FeTe to Bi2Te3 through the interface. The present result points to importance of hole-doped FeTe interface for the occurrence of unconventional superconductivity., Comment: 5 pages, 4 figures

We have performed scanning angle-resolved photoemission spectroscopy with a nanometer-sized beam spot (nano-ARPES) on the cleaved surface of Pb5Bi24Se41, which is a member of the (PbSe)5(Bi2Se3)3m homologous series (PSBS) with m = 4 consisting of alternate stacking of the topologically-trivial insulator PbSe bilayer and four quintuple layers (QLs) of the topological insulator Bi2Se3. This allows us to visualize a mosaic of topological Dirac states at a nanometer scale coming from the variable thickness of the Bi2Se3 nano-islands (1-3 QLs) that remain on top of the PbSe layer after cleaving the PSBS crystal, because the local band structure of topological origin changes drastically with the thickness of the Bi2Se3 nano-islands. A comparison of the local band structure with that in ultrathin Bi2Se3 films on Si(111) gives us further insights into the nature of the observed topological states. This result demonstrates that nano-ARPES is a very useful tool for characterizing topological heterostructures., Comment: 6 pages, 3 figures

We have performed high-resolution angle-resolved photoemission spectroscopy of the quasi-one-dimensional (1D) topological superconductor candidate Tl2Mo6Se6 consisting of weakly-coupled Mo3Se3 chains. We found a quasi-1D Fermi surface arising from a Dirac-like energy band, which is associated with the nonsymmorphic screw symmetry of the chains and predicted to trigger topological superconductivity. We observed a significant spectral-weight reduction over a wide energy range, together with a tiny Fermi-edge structure which exhibits a signature of a superconducting-gap opening below the superconducting-transition temperature. The observed quasi-1D Dirac-like band and its very small density of states point to an unconventional nature of superconductivity in Tl2Mo6Se6., Comment: 5 pages, 3 figures

One of important challenges in condensed-matter physics is to realize new quantum states of matter by manipulating the dimensionality of materials, as represented by the discovery of high-temperature superconductivity in atomic-layer pnictides and room-temperature quantum Hall effect in graphene. Transition-metal dichalcogenides (TMDs) provide a fertile platform for exploring novel quantum phenomena accompanied by the dimensionality change, since they exhibit a variety of electronic/magnetic states owing to quantum confinement. Here we report an anomalous metal-insulator transition induced by 3D-2D crossover in monolayer 1T-VSe2 grown on bilayer graphene. We observed a complete insulating state with a finite energy gap on the entire Fermi surface in monolayer 1T-VSe2 at low temperatures, in sharp contrast to metallic nature of bulk. More surprisingly, monolayer 1T-VSe2 exhibits a pseudogap with Fermi arc at temperatures above the charge-density-wave temperature, showing a close resemblance to high-temperature cuprates. This similarity suggests a common underlying physics between two apparently different systems, pointing to the importance of charge/spin fluctuations to create the novel electronic states, such as pseudogap and Fermi arc, in these materials., Comment: Nano Res. in press

We have performed angle-resolved photoemission spectroscopy of layered ternary telluride Ta3SiTe6 which is predicted to host nodal lines associated with nonsymmorphic crystal symmetry. We found that the energy bands in the valence-band region show Dirac-like dispersions which present a band degeneracy at the R point of the bulk orthorhombic Brillouin zone. This band degeneracy extends one-dimensionally along the whole SR high-symmetry line, forming the nodal lines protected by the glide mirror symmetry of the crystal. We also observed a small band splitting near EF which supports the existence of hourglass-type dispersions predicted by the calculation. The present results provide an excellent opportunity to investigate the interplay between exotic nodal fermions and nonsymmorphic crystal symmetry., Comment: 6 pages, 4 figures

Topological semimetals materialize a new state of quantum matter where massless fermions protected by a specific crystal symmetry host exotic quantum phenomena. Distinct from well-known Dirac and Weyl fermions, structurally-chiral topological semimetals are predicted to host new types of massless fermions characterized by a large topological charge, whereas such exotic fermions are yet to be experimentally established. Here, by using angle-resolved photoemission spectroscopy, we experimentally demonstrate that a transition-metal silicide CoSi hosts two types of chiral topological fermions, spin-1 chiral fermion and double Weyl fermion, in the center and corner of the bulk Brillouin zone, respectively. Intriguingly, we found that the bulk Fermi surfaces are purely composed of the energy bands related to these fermions. We also find the surface states connecting the Fermi surfaces associated with these fermions, suggesting the existence of the predicted Fermi-arc surface states. Our result provides the first experimental evidence for the chiral topological fermions beyond Dirac and Weyl fermions in condensed-matter systems, and paves the pathway toward realizing exotic electronic properties associated with unconventional chiral fermions., Comment: 6 pages, 4 figures (paper proper) + 4 pages, 4 figures (supplemental material)

We have performed angle-resolved photoemission spectroscopy of AlB2 which is isostructural to high-temperature superconductor MgB2. Using soft-x-ray photons, we accurately determined the three-dimensional bulk band structure and found a highly anisotropic Dirac-cone band at the K point in the bulk hexagonal Brillouin zone. This band disperses downward on approaching the H point while keeping its degeneracy at the Dirac point, producing a characteristic Dirac nodal line along the KH line. We also found that the band structure of AlB2 is regarded as a heavily electron-doped version of MgB2 and is therefore well suited for fully visualizing the predicted Dirac nodal line. The present results suggest that (Al,Mg)B2 system is a promising platform for studying the interplay among Dirac nodal line, carrier doping, and possible topological superconducting properties., Comment: 6 pages, 3 figures