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Recently, Co-based honeycomb magnets have been proposed as promising candidate materials to host the Kitaev spin liquid state. One of the front-runners is BaCo$_2$(AsO$_4$)$_2$ (BCAO), where it was suggested that the exchange processes between Co$^{2+}$ ions via the surrounding edge-sharing oxygen octahedra could give rise to bond-dependent Kitaev interactions. In this work, we present and analyze comprehensive inelastic neutron scattering studies of BCAO with fields in the honeycomb plane. Combining the constraints from the magnon excitations in the high-field polarized state and the inelastic spin structure factor measured in zero magnetic field, we examine two leading theoretical models: the Kitaev-type \JKG model and the \XXZ model. We show that the existing experimental data can be consistently accounted for by the \XXZ model but not by the \JKG model, and we discuss the implications of these results for the realization of a spin liquid phase in BCAO and more generally for the realization of the Kitaev model in cobaltates., Comment: 15 pages, 10 figures

Erickson defined the fusible numbers as a set $\mathcal F$ of reals generated by repeated application of the function $\frac{x+y+1}{2}$. Erickson, Nivasch, and Xu showed that $\mathcal F$ is well ordered, with order type $\varepsilon_0$. They also investigated a recursively defined function $M\colon \mathbb{R}\to\mathbb{R}$. They showed that the set of points of discontinuity of $M$ is a subset of $\mathcal F$ of order type $\varepsilon_0$. They also showed that, although $M$ is a total function on $\mathbb R$, the fact that the restriction of $M$ to $\mathbb{Q}$ is total is not provable in first-order Peano arithmetic $\mathsf{PA}$. In this paper we explore the problem (raised by Friedman) of whether similar approaches can yield well-ordered sets $\mathcal F$ of larger order types. As Friedman pointed out, Kruskal's tree theorem yields an upper bound of the small Veblen ordinal for the order type of any set generated in a similar way by repeated application of a monotone function $g:\mathbb R^n\to\mathbb R$. The most straightforward generalization of $\frac{x+y+1}{2}$ to an $n$-ary function is the function $\frac{x_1+\cdots+x_n+1}{n}$. We show that this function generates a set $\mathcal F_n$ whose order type is just $\varphi_{n-1}(0)$. For this, we develop recursively defined functions $M_n\colon \mathbb{R}\to\mathbb{R}$ naturally generalizing the function $M$. Furthermore, we prove that for any linear function $g:\mathbb R^n\to\mathbb R$, the order type of the resulting $\mathcal F$ is at most $\varphi_{n-1}(0)$. Finally, we show that there do exist continuous functions $g:\mathbb R^n\to\mathbb R$ for which the order types of the resulting sets $\mathcal F$ approach the small Veblen ordinal., Comment: Minor corrections. 26 pages, 1 figure

We use the action of the Bockstein homomorphism on the cohomology ring $H^*(X,\mathbb{Z}_2)$ of a finite-type CW-complex $X$ in order to define the resonance varieties of $X$ in characteristic 2. Much of the theory is done in the more general framework of the Maurer-Cartan sets and the resonance varieties attached to a finite-type commutative differential graded algebra. We illustrate these concepts with examples mainly drawn from closed manifolds, where Poincar\'e duality over $\mathbb{Z}_2$ has strong implications on the nature of the resonance varieties., Comment: 25 pages; accepted for publication in Contemporary Mathematics

Relative positional embeddings (RPE) have received considerable attention since RPEs effectively model the relative distance among tokens and enable length extrapolation. We propose KERPLE, a framework that generalizes relative position embedding for extrapolation by kernelizing positional differences. We achieve this goal using conditionally positive definite (CPD) kernels, a class of functions known for generalizing distance metrics. To maintain the inner product interpretation of self-attention, we show that a CPD kernel can be transformed into a PD kernel by adding a constant offset. This offset is implicitly absorbed in the Softmax normalization during self-attention. The diversity of CPD kernels allows us to derive various RPEs that enable length extrapolation in a principled way. Experiments demonstrate that the logarithmic variant achieves excellent extrapolation performance on three large language modeling datasets. Our implementation and pretrained checkpoints are released at https://github.com/chijames/KERPLE.git., Comment: Accepted at the 36th Conference on Neural Information Processing Systems (NeurIPS 2022). The first two authors contributed equally to this work

The paper presents the results of studying the dynamics of galaxies, properties of early-type galaxies, properties of galaxies with the quenched star formation (QGs) in the A 2142 based on the archival data from the Sloan Digital Sky Survey. We found the observed halo boundary, the splashback radius $R_{sp}$, which is equal to 4.12 Mpc ($M_r < -20\,.\!\!^{\rm m}3$) and 4.06 Mpc ($M_r < -21\,.\!\!^{\rm m}3$) over the integral distribution of the number of galaxies as a function of the squared distance from the center. We have studied how early-type galaxies are distributed in the center and in the outskirts of the cluster ($R/R_{200}$ < 3, $M_r < -20\,.\!\!^{\rm m}3$) and plotted the red sequence in the form of (g - r) = $(-0.024\pm0.001)M_r + (0.441\pm0.005$). Among all the cluster galaxies, the galaxies with the quenched star formation ( $- 12\,yr^{- 1} < \log sSFR < - 10.75\,yr^{- 1}$) make up about one third. We have found that the fraction of QGs beyond the splashback $R_{sp}$ is the same as in the field at the same z with coordinates of the center of $16\,.\!\!^{\rm h}5$, $31^{\circ}$ and a size of $300'$. For galaxies with the stellar masses $\log M_*/M_{\odot}$ = [10.5;11.0] (this is the main mass range of QGs), after entering the cluster, there is a decrease in the radii $R_{90,r}$ by about 30\% when moving towards the center., Comment: 12 pages, 3 figures, 4 tables, accepted: Astrophys. Bull., 01, 2022

Many strongly correlated transition metal insulators are colored, even though they have large fundamental band gaps and no quasi-particle excitations in the visible range. Why such insulators possess the colors they do poses a serious challenge for any many-body theory to reliably pick up the interactions responsible for the color. We pick two archetypal cases as examples: NiO with green color and MnF\textsubscript{2} with pink color. The body of literature around the collective charge transitions (excitons) that are responsible for the color in these and other strongly correlated systems, often fail to disentangle two important factors: what makes them form and what makes them optically bright. An adequate answer requires a theoretical approach able to compute such excitations in periodic crystals, reliably and without free parameters -- a formidable challenge. We employ two kinds of advanced \emph{ab initio} many body Green's function theories to investigate both optical and spin susceptibilities. The first, a perturbative theory based on low-order extensions of the $GW$ approximation, is able to explain the color in NiO, and indeed well describe the dielectric response over the entire frequency spectrum, while the same theory is unable to explain why MnF\textsubscript{2} is pink. We show its color originates from higher order spin-flip transitions that modify the optical response. This phenomenon is not captured by low-order perturbation theory, but it is contained in dynamical mean-field theory (DMFT), which has a dynamical spin-flip vertex that contributes to the charge susceptibility. We show that symmetry lowering mechanisms, such as spin-orbit coupling, odd-parity phonons and Jan-Teller distortions, determine how `bright' these excitons are, but are not fundamental to their existence., Comment: 19 pages and 8 figures

Excited state properties play a pivotal role in various chemical and physical phenomena, such as charge separation and light emission. However, the primary focus of most existing quantum algorithms has been the ground state, as seen in quantum phase estimation and the variational quantum eigensolver (VQE). Although VQE-type methods have been extended to explore excited states, these methods grapple with optimization challenges. In contrast, the quantum Krylov subspace (QKS) method has been introduced to address both ground and excited states, positioning itself as a cost-effective alternative to quantum phase estimation. Our research presents an economic QKS algorithm, which we term the quantum Davidson (QDavidson) algorithm. This innovation hinges on the iterative expansion of the Krylov subspace and the incorporation of a pre-conditioner within the Davidson framework. By using the residues of eigenstates to expand the Krylov subspace, we manage to formulate a compact subspace that aligns closely with the exact solutions. This iterative subspace expansion paves the way for a more rapid convergence in comparison to other QKS techniques, such as the quantum Lanczos. Using quantum simulators, we employ the novel QDavidson algorithm to delve into the excited state properties of various systems, spanning from the Heisenberg spin model to real molecules. Compared to the existing QKS methods, the QDavidson algorithm not only converges swiftly but also demands a significantly shallower circuit. This efficiency establishes the QDavidson method as a pragmatic tool for elucidating both ground and excited state properties on quantum computing platforms.

We present the multi-band dual triply irreducible local expansion (D-TRILEX) approach to interacting electronic systems and discuss its numerical implementation. This method is designed for a self-consistent description of multi-orbital systems that can also have several atoms in the unit cell. The current implementation of the D-TRILEX approach is able to account for the frequency- and channel-dependent long-ranged electronic interactions. We show that our method is accurate when applied to small multi-band systems such as the Hubbard-Kanamori dimer. Calculations for the extended Hubbard, the two-orbital Hubbard-Kanamori, and the bilayer Hubbard models are also discussed.

Nonlinear interactions between excitons strongly coupled to light are key for accessing quantum many-body phenomena in polariton systems. Atomically-thin two-dimensional semiconductors provide an attractive platform for strong light-matter coupling owing to many controllable excitonic degrees of freedom. Among these, the recently emerged exciton hybridization opens access to unexplored excitonic species, with a promise of enhanced interactions. Here, we employ hybridized interlayer excitons (hIX) in bilayer MoS2 to achieve highly nonlinear excitonic and polaritonic effects. Such interlayer excitons possess an out-of-plane electric dipole as well as an unusually large oscillator strength allowing observation of dipolar polaritons(dipolaritons) in bilayers in optical microcavities. Compared to excitons and polaritons in MoS2 monolayers, both hIX and dipolaritons exhibit about 8 times higher nonlinearity, which is further strongly enhanced when hIX and intralayer excitons, sharing the same valence band, are excited simultaneously. This gives rise to a highly nonlinear regime which we describe theoretically by introducing a concept of hole crowding. The presented insight into many-body interactions provides new tools for accessing few-polariton quantum correlations.

We consider scattering exponents arising in small-angle scattering from power-law polydisperse surface and mass fractals. It is shown that a set of fractals, whose sizes are distributed according to a power-law, can change its fractal dimension when the power-law exponent is sufficiently big. As a result, the scattering exponent corresponding to this dimension appears due to the spatial correlations between positions of different fractals. For large values of the momentum transfer, the correlations do not play any role, and the resulting scattering intensity is given by a sum of intensities of all composing fractals. The restrictions imposed on the power-law exponents are found. The obtained results generalize Martin's formulas for the scattering exponents of the polydisperse fractals., Comment: 11 pages, 12 figures

We investigate the point process of moduli of the Ginibre and hyperbolic ensembles. We show that far from the origin and at an appropriate scale, these processes exhibit Gaussian and Poisson fluctuations. Among the possible Gaussian fluctuations, we can find white noise but also fluctuations with non-trivial covariance at a particular scale., Comment: 28 pages

Satisfying safety constraints almost surely (or with probability one) can be critical for the deployment of Reinforcement Learning (RL) in real-life applications. For example, plane landing and take-off should ideally occur with probability one. We address the problem by introducing Safety Augmented (Saute) Markov Decision Processes (MDPs), where the safety constraints are eliminated by augmenting them into the state-space and reshaping the objective. We show that Saute MDP satisfies the Bellman equation and moves us closer to solving Safe RL with constraints satisfied almost surely. We argue that Saute MDP allows viewing the Safe RL problem from a different perspective enabling new features. For instance, our approach has a plug-and-play nature, i.e., any RL algorithm can be "Sauteed". Additionally, state augmentation allows for policy generalization across safety constraints. We finally show that Saute RL algorithms can outperform their state-of-the-art counterparts when constraint satisfaction is of high importance., Comment: ICML 2022

A clear separation of the time scales governing the dynamics of "slow" and "fast" degrees of freedom often serves as a prerequisite for the emergence of an independent low-energy theory. Here, we consider (slow) classical spins exchange coupled to a tight-binding system of (fast) conduction electrons. The effective equations of motion are derived under the constraint that the quantum state of the electron system at any instant of time $t$ lies in the $n$-dimensional low-energy subspace for the corresponding spin configuration at $t$. The effective low-energy theory unfolds itself straightforwardly and takes the form of a non-abelian gauge theory with the gauge freedom given by the arbitrariness of the basis spanning the instantaneous low-energy sector. The holonomic constraint generates a gauge covariant spin-Berry curvature tensor in the equations of motion for the classical spins. In the non-abelian theory for $n>1$, opposed to the $n=1$ adiabatic spin dynamics theory, the spin-Berry curvature is generically nonzero, even for time-reversal symmetric systems. Its expectation value with the representation of the electron state is gauge invariant and gives rise to an additional {\em geometrical} spin torque. Besides anomalous precession, the $n\ge 2$ theory also captures the spin nutational motion, which is usually considered as a retardation effect. This is demonstrated by proof-of-principle numerical calculations for a minimal model with a single classical spin. Already for $n=2$ and in parameter regimes where the $n=1$ adiabatic theory breaks down, we find good agreement with results obtained from the full (unconstrained) theory., Comment: 19 pages, 12 figures, v2 with minor changes

Antibodies are canonically Y-shaped multimeric proteins capable of highly specific molecular recognition. The CDRH3 region located at the tip of variable chains of an antibody dominates antigen-binding specificity. Therefore, it is a priority to design optimal antigen-specific CDRH3 regions to develop therapeutic antibodies. However, the combinatorial nature of CDRH3 sequence space makes it impossible to search for an optimal binding sequence exhaustively and efficiently using computational approaches. Here, we present \texttt{AntBO}: a combinatorial Bayesian optimisation framework enabling efficient \textit{in silico} design of the CDRH3 region. Ideally, antibodies are expected to have high target specificity and developability. We introduce a CDRH3 trust region that restricts the search to sequences with favourable developability scores to achieve this goal. For benchmarking, \texttt{AntBO} uses the \texttt{Absolut!} software suite as a black-box oracle to score the target specificity and affinity of designed antibodies \textit{in silico} in an unconstrained fashion~\citep{robert2021one}. The experiments performed for $159$ discretised antigens used in \texttt{Absolut!} demonstrate the benefit of \texttt{AntBO} in designing CDRH3 regions with diverse biophysical properties. In under $200$ calls to black-box oracle, \texttt{AntBO} can suggest antibody sequences that outperform the best binding sequence drawn from 6.9 million experimentally obtained CDRH3s and a commonly used genetic algorithm baseline. Additionally, \texttt{AntBO} finds very-high affinity CDRH3 sequences in only 38 protein designs whilst requiring no domain knowledge. We conclude \texttt{AntBO} brings automated antibody design methods closer to what is practically viable for in vitro experimentation.

Fe3-xGeTe2 is a layered magnetic van der Waals material of interest for both fundamental and applied research. Despite the observation of intriguing physical properties, open questions exist even on the basic features related to magnetism: is it a simple ferromagnet or are there antiferromagnetic regimes and are the moments local or itinerant. Here, we demonstrate that antiferromagnetic spin fluctuations coexist with the ferromagnetism through comprehensive elastic and inelastic neutron scattering and thermodynamic measurements. Our realistic dynamical mean-field theory calculations reveal that the competing magnetic fluctuations are driven by an orbital selective Mott transition, where only the plane-perpendicular a1g orbital of the Fe(3d) manifold remains itinerant. Our results highlight the multi-orbital character in Fe3-xGeTe2 that supports a rare coexistence of local and itinerant physics within this material., Comment: 16 pages, 3 main figures

Study Analysis Group 21 (SAG21) of NASA's Exoplanet Exploration Program Analysis Group (ExoPAG) was organized to study the effect of stellar contamination on space-based transmission spectroscopy, a method for studying exoplanetary atmospheres by measuring the wavelength-dependent radius of a planet as it transits its star. Transmission spectroscopy relies on a precise understanding of the spectrum of the star being occulted. However, stars are not homogeneous, constant light sources but have temporally evolving photospheres and chromospheres with inhomogeneities like spots, faculae, plages, granules, and flares. This SAG brought together an interdisciplinary team of more than 100 scientists, with observers and theorists from the heliophysics, stellar astrophysics, planetary science, and exoplanetary atmosphere research communities, to study the current research needs that can be addressed in this context to make the most of transit studies from current NASA facilities like HST and JWST. The analysis produced 14 findings, which fall into three Science Themes encompassing (1) how the Sun is used as our best laboratory to calibrate our understanding of stellar heterogeneities ("The Sun as the Stellar Benchmark"), (2) how stars other than the Sun extend our knowledge of heterogeneities ("Surface Heterogeneities of Other Stars") and (3) how to incorporate information gathered for the Sun and other stars into transit studies ("Mapping Stellar Knowledge to Transit Studies"). In this invited review, we largely reproduce the final report of SAG21 as a contribution to the peer-reviewed literature., Comment: Invited review in press at RASTI. Based on the ExoPAG SAG21 report (arXiv:2201.09905v1) and refined via feedback from three reviewers. 75 pages, 30 figures, 5 tables

Diode laser self-injection locking (SIL) to a whispering gallery mode of a high quality factor resonator is a widely used method for laser linewidth narrowing and high-frequency noise suppression. SIL has already been used for the demonstration of ultra-low-noise photonic microwave oscillators and soliton microcomb generation and has a wide range of possible applications. Up to date, SIL was demonstrated only with a single laser. However, multi-frequency and narrow-linewidth laser sources are in high demand for modern telecommunication systems, quantum technologies, and microwave photonics. Here we experimentally demonstrate the dual-laser SIL of two multifrequency laser diodes to different modes of an integrated Si$_3$N$_4$ microresonator. Simultaneous spectrum collapse of both lasers, as well as linewidth narrowing and high-frequency noise suppression , as well as strong nonlinear interaction of the two fields with each other, are observed. Locking both lasers to the same mode results in a simultaneous frequency and phase stabilization and coherent addition of their outputs. Additionally, we provide a comprehensive dual-SIL theory and investigate the influence of lasers on each other caused by nonlinear effects in the microresonator.