Empirical risk minimization as parameter choice rule for general linear regularization methods.

We consider the statistical inverse problem to recover f from noisy measurements Y = Tf + sigma xi where xi is Gaussian white noise and T a compact operator between Hilbert spaces. Considering general reconstruction methods of the form (f) over cap (alpha) = q(alpha) (T*T)T*Y with an ordered filter q(alpha), we investigate the choice of the regularization parameter alpha by minimizing an unbiased estiate of the predictive risk E[parallel to T f - T (f) over cap (alpha)parallel to(2)]. The corresponding parameter alpha(pred) and its usage are well-known in the literature, but oracle inequalities and optimality results in this general setting are unknown. We prove a (generalized) oracle inequality, which relates the direct risk E[parallel to f - (f) over cap (alpha pred)parallel to(2)] with the oracle prediction risk inf(alpha>0) E[parallel to T f - T (f) over cap (alpha)parallel to(2)]. From this oracle inequality we are then able to conclude that the investigated parameter choice rule is of optimal order in the minimax sense. Finally we also present numerical simulations, which support the order optimality of the method and the quality of the parameter choice in finite sample situations

The Coupled Cluster Method Applied to Quantum Magnets: A New LPSUBmm Approximation Scheme for Lattice Models

A new approximation hierarchy, called the LPSUB$m$ scheme, is described for the coupled cluster method (CCM). It is applicable to systems defined on a regular spatial lattice. We then apply it to two well-studied prototypical (spin-1/2 Heisenberg antiferromagnetic) spin-lattice models, namely: the XXZ and the XY models on the square lattice in two dimensions. Results are obtained in each case for the ground-state energy, the ground-state sublattice magnetization and the quantum critical point. They are all in good agreement with those from such alternative methods as spin-wave theory, series expansions, quantum Monte Carlo methods and the CCM using the alternative LSUB$m$ and DSUB$m$ schemes. Each of the three CCM schemes (LSUB$m$, DSUB$m$ and LPSUB$m$) for use with systems defined on a regular spatial lattice is shown to have its own advantages in particular applications

Low-energy parameters and spin gap of a frustrated spin-ss Heisenberg antiferromagnet with s≤32s \leq \frac{3}{2} on the honeycomb lattice

The coupled cluster method is implemented at high orders of approximation to investigate the zero-temperature $(T=0)$ phase diagram of the frustrated spin-$s$ $J_{1}$--$J_{2}$--$J_{3}$ antiferromagnet on the honeycomb lattice. The system has isotropic Heisenberg interactions of strength $J_{1}>0$, $J_{2}>0$ and $J_{3}>0$ between nearest-neighbour, next-nearest-neighbour and next-next-nearest-neighbour pairs of spins, respectively. We study it in the case $J_{3}=J_{2}\equiv \kappa J_{1}$, in the window $0 \leq \kappa \leq 1$ that contains the classical tricritical point (at $\kappa_{{\rm cl}}=\frac{1}{2}$) of maximal frustration, appropriate to the limiting value $s \to \infty$ of the spin quantum number. We present results for the magnetic order parameter $M$, the triplet spin gap $\Delta$, the spin stiffness $\rho_{s}$ and the zero-field transverse magnetic susceptibility $\chi$ for the two collinear quasiclassical antiferromagnetic (AFM) phases with N\'{e}el and striped order, respectively. Results for $M$ and $\Delta$ are given for the three cases $s=\frac{1}{2}$, $s=1$ and $s=\frac{3}{2}$, while those for $\rho_{s}$ and $\chi$ are given for the two cases $s=\frac{1}{2}$ and $s=1$. On the basis of all these results we find that the spin-$\frac{1}{2}$ and spin-1 models both have an intermediate paramagnetic phase, with no discernible magnetic long-range order, between the two AFM phases in their $T=0$ phase diagrams, while for $s > 1$ there is a direct transition between them. Accurate values are found for all of the associated quantum critical points. While the results also provide strong evidence for the intermediate phase being gapped for the case $s=\frac{1}{2}$, they are less conclusive for the case $s=1$. On balance however, at least the transition in the latter case at the striped phase boundary seems to be to a gapped intermediate state

Transverse Magnetic Susceptibility of a Frustrated Spin-12\frac{1}{2} J1J_{1}--J2J_{2}--J1⊥J_{1}^{\perp} Heisenberg Antiferromagnet on a Bilayer Honeycomb Lattice

We use the coupled cluster method (CCM) to study a frustrated spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{1}^{\perp}$ Heisenberg antiferromagnet on a bilayer honeycomb lattice with $AA$ stacking. Both nearest-neighbor (NN) and frustrating next-nearest-neighbor antiferromagnetic (AFM) exchange interactions are present in each layer, with respective exchange coupling constants $J_{1}>0$ and $J_{2} \equiv \kappa J_{1} > 0$. The two layers are coupled with NN AFM exchanges with coupling strength $J_{1}^{\perp}\equiv \delta J_{1}>0$. We calculate to high orders of approximation within the CCM the zero-field transverse magnetic susceptibility $\chi$ in the N\'eel phase. We thus obtain an accurate estimate of the full boundary of the N\'eel phase in the $\kappa\delta$ plane for the zero-temperature quantum phase diagram. We demonstrate explicitly that the phase boundary derived from $\chi$ is fully consistent with that obtained from the vanishing of the N\'eel magnetic order parameter. We thus conclude that at all points along the N\'eel phase boundary quasiclassical magnetic order gives way to a nonclassical paramagnetic phase with a nonzero energy gap. The N\'eel phase boundary exhibits a marked reentrant behavior, which we discuss in detail

Collinear antiferromagnetic phases of a frustrated spin-12\frac{1}{2} J1J_{1}--J2J_{2}--J1⊥J_{1}^{\perp} Heisenberg model on an AAAA-stacked bilayer honeycomb lattice

The zero-temperature quantum phase diagram of the spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{1}^{\perp}$ model on an $AA$-stacked bilayer honeycomb lattice is investigated using the coupled cluster method (CCM). The model comprises two monolayers in each of which the spins, residing on honeycomb-lattice sites, interact via both nearest-neighbor (NN) and frustrating next-nearest-neighbor isotropic antiferromagnetic (AFM) Heisenberg exchange iteractions, with respective strengths $J_{1} > 0$ and $J_{2} \equiv \kappa J_{1}>0$. The two layers are coupled via a comparable Heisenberg exchange interaction between NN interlayer pairs, with a strength $J_{1}^{\perp} \equiv \delta J_{1}$. The complete phase boundaries of two quasiclassical collinear AFM phases, namely the N\'{e}el and N\'{e}el-II phases, are calculated in the $\kappa \delta$ half-plane with $\kappa > 0$. Whereas on each monolayer in the N\'{e}el state all NN pairs of spins are antiparallel, in the N\'{e}el-II state NN pairs of spins on zigzag chains along one of the three equivalent honeycomb-lattice directions are antiparallel, while NN interchain spins are parallel. We calculate directly in the thermodynamic (infinite-lattice) limit both the magnetic order parameter $M$ and the excitation energy $\Delta$ from the $s^{z}_{T}=0$ ground state to the lowest-lying $|s^{z}_{T}|=1$ excited state (where $s^{z}_{T}$ is the total $z$ component of spin for the system as a whole, and where the collinear ordering lies along the $z$ direction) for both quasiclassical states used (separately) as the CCM model state, on top of which the multispin quantum correlations are then calculated to high orders ($n \leq 10$) in a systematic series of approximations involving $n$-spin clusters. The sole approximation made is then to extrapolate the sequences of $n$th-order results for $M$ and $\Delta$ to the exact limit, $n \to \infty$

A high-order study of the quantum critical behavior of a frustrated spin-12\frac{1}{2} antiferromagnet on a stacked honeycomb bilayer

We study a frustrated spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{3}$--$J_{1}^{\perp}$ Heisenberg antiferromagnet on an $AA$-stacked bilayer honeycomb lattice. In each layer we consider nearest-neighbor (NN), next-nearest-neighbor, and next-next-nearest-neighbor antiferromagnetic (AFM) exchange couplings $J_{1}$, $J_{2}$, and $J_{3}$, respectively. The two layers are coupled with an AFM NN exchange coupling $J_{1}^{\perp}\equiv\delta J_{1}$. The model is studied for arbitrary values of $\delta$ along the line $J_{3}=J_{2}\equiv\alpha J_{1}$ that includes the most highly frustrated point at $\alpha=\frac{1}{2}$, where the classical ground state is macroscopically degenerate. The coupled cluster method is used at high orders of approximation to calculate the magnetic order parameter and the triplet spin gap. We are thereby able to give an accurate description of the quantum phase diagram of the model in the $\alpha\delta$ plane in the window $0 \leq \alpha \leq 1$, $0 \leq \delta \leq 1$. This includes two AFM phases with N\'eel and striped order, and an intermediate gapped paramagnetic phase that exhibits various forms of valence-bond crystalline order. We obtain accurate estimations of the two phase boundaries, $\delta = \delta_{c_{i}}(\alpha)$, or equivalently, $\alpha = \alpha_{c_{i}}(\delta)$, with $i=1$ (N\'eel) and 2 (striped). The two boundaries exhibit an "avoided crossing" behavior with both curves being reentrant

Spin-gap study of the spin-12\frac{1}{2} J1J_{1}--J2J_{2} model on the triangular lattice

We use the coupled cluster method implemented at high orders of approximation to study the spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$ model on the triangular lattice with Heisenberg interactions between nearest-neighbour and next-nearest-neighbour pairs of spins, with coupling strengths $J_{1}>0$ and $J_{2} \equiv \kappa J_{1} >0$, respectively. In the window $0 \leq \kappa \leq 1$ we find that the 3-sublattice 120$^{\circ}$ N\'{e}el-ordered and 2-sublattice 180$^{\circ}$ stripe-ordered antiferromagnetic states form the stable ground-state phases in the regions $\kappa < \kappa^{c}_{1} = 0.060(10)$ and $\kappa > \kappa^{c}_{2} = 0.165(5)$, respectively. The spin-triplet gap is found to vanish over essentially the entire region $\kappa^{c}_{1} < \kappa < \kappa^{c}_{2}$ of the intermediate phase

Ground-state phases of the spin-1 J1J_{1}--J2J_{2} Heisenberg antiferromagnet on the honeycomb lattice

We study the zero-temperature quantum phase diagram of a spin-1 Heisenberg antiferromagnet on the honeycomb lattice with both nearest-neighbor exchange coupling $J_{1}>0$ and frustrating next-nearest-neighbor coupling $J_{2} \equiv \kappa J_{1} > 0$, using the coupled cluster method implemented to high orders of approximation, and based on model states with different forms of classical magnetic order. For each we calculate directly in the bulk thermodynamic limit both ground-state low-energy parameters (including the energy per spin, magnetic order parameter, spin stiffness coefficient, and zero-field uniform transverse magnetic susceptibility) and their generalized susceptibilities to various forms of valence-bond crystalline (VBC) order, as well as the energy gap to the lowest-lying spin-triplet excitation. In the range $0 < \kappa < 1$ we find evidence for four distinct phases. Two of these are quasiclassical phases with antiferromagnetic long-range order, one with 2-sublattice N\'{e}el order for $\kappa < \kappa_{c_{1}} = 0.250(5)$, and another with 4-sublattice N\'{e}el-II order for $\kappa > \kappa_{c_{2}} = 0.340(5)$. Two different paramagnetic phases are found to exist in the intermediate region. Over the range $\kappa_{c_{1}} < \kappa < \kappa^{i}_{c} = 0.305(5)$ we find a gapless phase with no discernible magnetic order, which is a strong candidate for being a quantum spin liquid, while over the range $\kappa^{i}_{c} < \kappa < \kappa_{c_{2}}$ we find a gapped phase, which is most likely a lattice nematic with staggered dimer VBC order that breaks the lattice rotational symmetry