Daily Papers

Conceptual density functional theory (CDFT) defines chemical reactivity descriptors as derivatives of the electronic energy with respect to the number of electrons and the external potential, or combinations thereof; in practice, however, researchers almost always replace these derivatives with finite-difference and frontier-orbital approximations, and no common software exists for their analytical evaluation. We present PyCDFT, to our knowledge, the first standardized, open-source, and scriptable code that analytically computes the descriptors of conceptual density (matrix) functional theory for ground and excited states up to second order, including the orbital hardness, the Fukui function and Fukui matrix, and the linear response function, from a single converged mean-field wavefunction imported from virtually any electronic-structure package. The descriptors are obtained from matrix-free, preconditioned Krylov-subspace solutions of the coupled-perturbed self-consistent-field equations for both spin-unpolarized and spin-polarized references, with the work distributed over MPI ranks and all data flowing through a single HDF5 checkpoint file that supports restart, post-processing, and the export of real-space descriptors as cube files for visualization. The design delegates integrals, grids, and exchange-correlation kernels to PySCF and Libxc, keeping the library compact, user-friendly, and interoperable. Worked examples on the ground state of H_2O and a broken-symmetry ΔSCF excited state of NH_3 show that a complete second-order CDFT analysis requires only a few lines of user code.

Deep Learning using the eponymous deep neural networks (DNNs) has become an attractive approach towards various data-based problems of theoretical physics in the past decade. There has been a clear trend to deeper architectures containing increasingly more powerful and involved layers. Contrarily, Taylor coefficients of DNNs still appear mainly in the light of interpretability studies, where they are computed at most to first order. However, especially in theoretical physics numerous problems benefit from accessing higher orders, as well. This gap motivates a general formulation of neural network (NN) Taylor expansions. Restricting our analysis to multilayer perceptrons (MLPs) and introducing quantities we refer to as propagators and vertices, both depending on the MLP's weights and biases, we establish a graph-theoretical approach. Similarly to Feynman rules in quantum field theories, we can systematically assign diagrams containing propagators and vertices to the corresponding partial derivative. Examining this approach for S-wave scattering lengths of shallow potentials, we observe NNs to adapt their derivatives mainly to the leading order of the target function's Taylor expansion. To circumvent this problem, we propose an iterative NN perturbation theory. During each iteration we eliminate the leading order, such that the next-to-leading order can be faithfully learned during the subsequent iteration. After performing two iterations, we find that the first- and second-order Born terms are correctly adapted during the respective iterations. Finally, we combine both results to find a proxy that acts as a machine-learned second-order Born approximation.

The Redfield equation with time-dependent coefficients (or TCL2 equation) gives one of the simplest perturbative descriptions of open quantum system dynamics derived from a microscopic theory. Its status as an approximation is nevertheless subtle: while perturbation theory fixes the reduced dynamics order-by-order in the system-environment coupling, solving the Redfield equation yields a particular resummation that need not preserve complete positivity. Here we compare Redfield evolution with an exponentiated (Magnus) resummation of the same second-order perturbative map, which is completely positive and trace preserving (CPTP) for a broad class of physical conditions. We also construct a simple CPTP resolvent resummation, illustrating the non-uniqueness of resummations of the same perturbative map. The Redfield and Magnus prescriptions agree to second order but differ through time-ordering corrections at higher orders. We exhibit a weak-coupling criterion which guarantees that Redfield evolution, even when non-Markovian, remains close to a CPTP map. We illustrate the criterion in two examples, focusing on finite-dimensional (qubit) systems. Our results clarify when, and why, Redfield evolution can remain reliable even when it is highly non-Lindbladian.

We develop a perturbative framework for systems coupled quadratically to bosonic environments with quadratic Hamiltonians and linear Lindblad operators. The method applies to both single-mode and multimode environments whose initial states may be non-Gaussian and nonstationary. By combining linear evolution in a doubled operator space with a characteristic-function representation, we express ordered multitime environmental correlation functions in terms of derivatives of the initial characteristic function. These correlation functions enter a recursive construction of the time-convolutionless generator at arbitrary finite order. We illustrate the method with a qubit coupled to a damped mode via a two-photon interaction. Initial Fock and thermal states with identical first and second field moments produce different second-order generators through their fourth moments.

We show how to construct perturbative effective field theories for strong phase transitions, where the standard tools of high-temperature dimensional reduction fail. By identifying the relevant power counting relations for the couplings, masses and background fields, we construct a controlled perturbative expansion adapted to this regime. We find that the order parameter field remains light at the transition, so that there is a controlled derivative expansion, even though large external fields need to be resummed. The resulting effective field theories for strong phase transitions live in three dimensions and have nonpolynomial field dependence. Applying our framework to a two-scalar model, we verify renormalisation scale cancellation through next-to-next-to-leading order and find decreasing corrections to the latent heat as the perturbative order is increased. Extending to include fermions and gauge fields, we identify a broad class of models in which strong-transition thermodynamics are systematically improvable.

In this note, we show that the Local Molecular Field theory of Weeks et. al. can be re-derived as an extremum problem for an approximate Helmholtz free energy. Using the resulting free energy as a classical, fluid density functional yields an implicit solvent method identical in form to the Molecular Density Functional theory of Borgis et. al., but with an explicit formula for the 'ideal' free energy term. This new expression for the ideal free energy term can be computed from all-atom molecular dynamics of a solvent with only short-range interactions. The key hypothesis required to make the theory valid is that all smooth (and hence long-range) energy functions obey Gaussian statistics. This is essentially a random phase approximation for perturbations from a short-range only, 'reference,' fluid. This single hypothesis is enough to prove that the self-consistent LMF procedure minimizes a novel density functional whose 'ideal' free energy is the molecular system under a specific, reference Hamiltonian, as opposed to the non-interacting gas of conventional density functionals. Implementation of this new functional into existing software should be straightforward and robust.

Many-body perturbation theory is a powerful framework to calculate spectroscopic quantities, as well as the total energy. However, the field suffers from the fact that different flavors of approximations lead to a wide range of results. We present several in principle exact expansions and discuss how to use them consistently. We concentrate on the first two orders in the respective screened Coulomb interaction. Of special interest is a consistent expansion around the Kohn-Sham system. We illustrate the performance of the various choices using the symmetric Hubbard dimer over a wide range of correlation strength. In particular, the expansion based on exact Kohn-Sham ingredients stands out as a promising route towards good energies and good spectra.

This work presents a non-perturbative quantum field theoretic computation of spinor tunnelling through a potential barrier. Within position space potential formalism, we identify coupled recursion relations forming a self-consistent integral equation. Our method, enabling both analytical and numerical approaches, transforms into a formalism admitting both numerical framework for arbitrary potentials and analytical exact results for select barriers. For the rectangular barrier, the QFT-derived amplitudes reproduce the relativistic quantum mechanical (RQM) results, thus establishing a foundation for future calculation of beyond-RQM field-theoretic corrections.

Excited electronic states are difficult to accurately and tractably model, particularly those exhibiting multiexcitonic character. Scalable single-reference excited state methods typically fail to describe such states as they suffer from the defects of the mean-field approximation and/or neglect higher-rank excitation operators. To address this, we derive the [T] perturbative correction to the quantum self-consistent equation-of-motion unitary coupled cluster singles and doubles (q-sc-EOM-UCCSD) method. The method captures triple excitation effects through a classical step of second-order in many-body perturbation theory following a q-sc-EOM-UCCSD calculation on a quantum computer. The perturbative correction developed has a O(N^7) classical computational time scaling. We incorporate [T] into a hybrid compute strategy wherein eigenvectors of the effective Hamiltonian from the hybrid quantum-classical q-sc-EOM-UCCSD algorithm are relayed to a classical computer which performs the postprocessing required for the [T] correction. The benefits of [T] are quantified in a benchmark covering a variety of electronically excited states of the isoelectronic CH^+ and BH molecules. We find that the addition of the [T] correction to both trotterized and full operator variants of q-sc-EOM-CCSD can offer dramatic improvements over baseline q-sc-EOM-UCCSD. Our assessment clearly demonstrates the importance of considering higher-rank excitation operators in q-sc-EOM-UCCSD, quantifies the overall success of the [T] correction, and discusses some of its limitations.

We study a one dimensional nonlinear Klein-Gordon equation with a potential, a localized quadratic nonlinearity, and a non-localized quartic nonlinearity. We assume that the linearized operator has a single discrete eigenvalue below the continuous spectrum, corresponding to an ''internal mode''. This eigenvalue generates localized, time-periodic solutions for the linear equation. Assuming the natural Fermi Golden Rule, we give a global description of the dynamics of the amplitude of the internal mode through the radiation damping mechanism, and prove scattering for the radiation. Our approach is based on the distorted Fourier transform and a collection of refined dispersive decay and smoothing estimates. The corresponding cubic problem is closely related to the question of global-in-space dispersive asymptotics for perturbations of kink solutions in the classical ϕ^4 model, which remains a challenging open question. From the perspective of nonlinear estimates, a quartic (non-localized) interaction is essentially sharp for our analysis, and closing the estimates with such a low degree nonlinear term requires a careful and delicate treatment. As a direct application of our analysis, we prove a result on the asymptotic stability of kinks for classes of scalar field models that can be seen as perturbations of the ϕ^4 model.

This study introduces amangkurat, an open-source Python library designed for the robust numerical simulation of relativistic scalar field dynamics governed by the nonlinear Klein-Gordon equation in (1+1)D spacetime. The software implements a hybrid computational strategy that couples Fourier pseudo-spectral spatial discretization with a symplectic Størmer-Verlet temporal integrator, ensuring both exponential spatial convergence for smooth solutions and long-term preservation of Hamiltonian structure. To optimize performance, the solver incorporates adaptive timestepping based on Courant-Friedrichs-Lewy (CFL) stability criteria and utilizes Just-In-Time (JIT) compilation for parallelized force computation. The library's capabilities are validated across four canonical physical regimes: dispersive linear wave propagation, static topological kink preservation in phi-fourth theory, integrable breather dynamics in the sine-Gordon model, and non-integrable kink-antikink collisions. Beyond standard numerical validation, this work establishes a multi-faceted analysis framework employing information-theoretic entropy metrics (Shannon, Rényi, and Tsallis), kernel density estimation, and phase space reconstruction to quantify the distinct phenomenological signatures of these regimes. Statistical hypothesis testing confirms that these scenarios represent statistically distinguishable dynamical populations. Benchmarks on standard workstation hardware demonstrate that the implementation achieves high computational efficiency, making it a viable platform for exploratory research and education in nonlinear field theory.

We calculate the Rayleigh-Schrodinger perturbation series for the ground-state energy and the effective mass of the three-dimensional Frohlich polaron through fourth order in the coupling constant alpha. The third- and fourth-order coefficients of the effective mass are new. Because the Frohlich interaction is a form-bounded perturbation of an isolated nondegenerate ground state at fixed total momentum, the series has a nonzero radius of convergence, and we analyze it with the ratio and Pade methods appropriate to convergent series. The coefficients are strikingly regular and are described by a simple power-law singularity at alpha near 8.5 with an exponent near 1.4. The couplings at which successive truncations of the inverse mass vanish, the first of which is the textbook breakdown value alpha = 6, are slowly converging estimates of this radius. Pade approximants built from the weak-coupling coefficients alone agree with diagrammatic Monte Carlo results for the mass to better than one percent for alpha up to 5. Exact results on the analyticity of the ground state and on the strong-coupling asymptotics imply that the coefficients cannot keep a constant sign, although all known coefficients do, so that the apparent singularity must be a complex-conjugate pair close to the positive real axis. It marks the crossover to strong coupling: the weak-coupling series locates this crossover accurately but cannot be continued through it.

We examine whether the perturbative renormalization group (RG) regime of stochastic turbulence can be continued from small varepsilon to the physical value varepsilon_{phys}=2, corresponding to large-scale forcing. Exploiting the simplifications of the large-d limit, we calculate the correction exponent ω to five-loop order and find a simple structure suggesting a closed analytic form. This form implies that the fixed point stable near varepsilon=0 ceases to be simultaneously real and infrared stable before reaching varepsilon_{phys}=2, pointing to a possible change of infrared regime rather than a controlled perturbative RG extrapolation.

We propose a new method called the N-particle underdamped Langevin algorithm for optimizing a special class of non-linear functionals defined over the space of probability measures. Examples of problems with this formulation include training mean-field neural networks, maximum mean discrepancy minimization and kernel Stein discrepancy minimization. Our algorithm is based on a novel spacetime discretization of the mean-field underdamped Langevin dynamics, for which we provide a new, fast mixing guarantee. In addition, we demonstrate that our algorithm converges globally in total variation distance, bridging the theoretical gap between the dynamics and its practical implementation.

The back-to-back limit of the energy-energy correlator (EEC) exhibits a finite plateau, capturing the evolution from perturbative soft-collinear radiation at weak coupling to string dynamics at strong coupling. At weak coupling, we resum its leading and next-to-leading-power logarithms through N^3LL in mathcal N=4 SYM, including non-planar contributions. Combining this weak-coupling endpoint with bootstrap and strong-coupling data, we construct an interpolation for the plateau height from weak to strong coupling. The calculation uses a human-in-the-loop agentic workflow.

I investigate the spontaneous-fission (SF) half-lives of ^{254,256}Rf within the multidimensionally constrained relativistic Hartree-Bogoliubov (MDC-RHB) model combined with the local quasiparticle random-phase approximation (LQRPA) method. The collective inertia is evaluated using the finite-amplitude method (FAM), which enables a fully self-consistent treatment of dynamical residual effects beyond the conventional cranking approximation. The effective collective potential is constructed by subtracting both the vibrational zero-point energy and rotational energy correction from the deformation energy surface. The SF half-lives are evaluated within the Wentzel-Kramers-Brillouin (WKB) approximation. Compared with the nonperturbative and perturbative cranking approximation, the FAM-LQRPA collective inertia is significantly enhanced, especially around the ground-state minimum, due to the dynamical residual interaction included in the QRPA. As a consequence, the predicted SF half-lives increase by several orders of magnitude and become consistent with experimental data. The calculated SF half-lives are 5.65 μs for ^{254}Rf and 0.95 ms for ^{256}Rf, both within approximately two orders of magnitude of the corresponding experimental values. These results indicate that a self-consistent treatment of dynamical residual effects and beyond mean-field correlations is crucial for quantitative microscopic descriptions of SF within covariant density functional theory.

The stability of the Berezinskii--Kosterlitz--Thouless phase against long-range interactions remains an open problem. We address this question in the two-dimensional XY model with couplings decaying as r^{-2-σ}, by developing a real-space renormalization-group treatment near the Gaussian manifold of quasi-long-range ordered (QLRO) states. We retain the full many-body vortex interaction and show that, at leading order in the fugacity, screening by small vortex--antivortex pairs preserves its Gaussian-average representation without an expansion in the long-range coupling. Including spin waves perturbatively then yields a local stability criterion: a stable QLRO interval exists only for σ>7/4. We also investigate a Wilson--Fisher-like fixed point at finite coupling for σ<7/4, for which the retained flow predicts ν^{-1}sim7/4-σ as it merges with the Gaussian line.

We prove strong ill-posedness for the two-dimensional incompressible Euler equation in the endpoint velocity space W^{3,1}_σ(mathbb R^2). Given any compactly supported smooth divergence-free background and any δ>0, we construct a single compactly supported divergence-free datum within δ of the background in W^{3,1}. The perturbation can be localized inside any prescribed nonempty open neighborhood of the background support while remaining disjoint from that support. The associated unique global finite-energy solution u satisfies {rm curl} uin C([0,infty);W^{2,1}(mathbb R^2)), but \[ \operatorname*{ess\,sup}_{0<t<T}\|u(t)\|_{W^{3,1}}=\infty \qquadfor every T>0. \] The proof combines localized hyperbolic insertion, the Bonami--Poornima nonmultiplier mechanism, and many-packet dilution. Moment cancellation and positive material separation control the nonlocal Biot--Savart interactions, allowing a nested construction inside one fixed compact region. Without the compact-support requirement on the limiting datum, a complementary far-field argument yields a dense G_δ set of data whose solutions leave W^{3,1} at every positive rational time and on a residual set of times, with unbounded essential supremum on every nonempty open time interval.

We present anyakrakusuma, an open-source Python library that solves the discrete static Schrödinger bridge problem, the entropically regularized counterpart of optimal transport, through a log-domain Sinkhorn--Knopp iteration and reconstructs the entropic interpolation between two empirical point clouds. The solver is paired with a diagnostic pipeline that characterizes the optimal coupling and the intermediate distributions through information-theoretic and geometric measures. We exercise the library on four idealized planar cases spanning a circle-to-circle dilation, a spiral-to-mixture fragmentation, a rigid reorientation of two moons, and a Lissajous-to-trefoil deformation. The log-domain formulation is necessary rather than merely convenient at the parameters studied, where the cost-to-regularization ratio reaches four hundred and the Gibbs kernel underflows double precision across most of its range; the iteration nonetheless attains a marginal residual of 10^{-9} and unit marginal fidelity in every case. Residual histories decay geometrically over approximately eight decades at per-iteration contraction factors between 0.966 and 0.976, which are local rates near the fixed point that lie many orders of magnitude below the worst-case Hilbert-metric bound. The covariance analysis recovers an imposed ninety-degree reorientation to within 0.07^circ, roughly forty times smaller than its uncertainty, across a masked interval of near-isotropy on which the principal axis is unobservable. The diagnostics are reported with explicit attention to the regimes in which each is well defined, including the differential entropy, which is meaningful only on the open interpolation interval. The presented cases are constructed rather than measured; quantitative application to empirical point clouds requires further study.

Scientific applications increasingly demand real-time surrogate models that can capture the behavior of strongly coupled multiphysics systems driven by multiple input functions, such as in thermo-mechanical and electro-thermal processes. While neural operator frameworks, such as Deep Operator Networks (DeepONets), have shown considerable success in single-physics settings, their extension to multiphysics problems remains poorly understood. In particular, the challenge of learning nonlinear interactions between tightly coupled physical fields has received little systematic attention. This study addresses a foundational question: should the architectural design of a neural operator reflect the strength of physical coupling it aims to model? To answer this, we present the first comprehensive, architecture-aware evaluation of DeepONet variants across three regimes: single-physics, weakly coupled, and strongly coupled multiphysics systems. We consider a reaction-diffusion equation with dual spatial inputs, a nonlinear thermo-electrical problem with bidirectional coupling through temperature-dependent conductivity, and a viscoplastic thermo-mechanical model of steel solidification governed by transient phase-driven interactions. Two operator-learning frameworks, the classical DeepONet and its sequential GRU-based extension, S-DeepONet, are benchmarked using both single-branch and multi-branch (MIONet-style) architectures. Our results demonstrate that architectural alignment with physical coupling is crucial: single-branch networks significantly outperform multi-branch counterparts in strongly coupled settings, whereas multi-branch encodings offer advantages for decoupled or single-physics problems. Once trained, these surrogates achieve full-field predictions up to 1.8e4 times faster than high-fidelity finite-element solvers, without compromising solution accuracy.

A continuous-time projection quantum Monte Carlo algorithm is employed to simulate the ground state of a short-range quantum spin-glass model, namely, the two-dimensional Edwards-Anderson Hamiltonian with transverse field, featuring Gaussian nearest-neighbor couplings. We numerically demonstrate that guiding wave functions based on self-learned neural networks suppress the population control bias below modest statistical uncertainties, at least up to a hundred spins. By projecting a two-fold replicated Hamiltonian, the spin overlap is determined. A finite-size scaling analysis is performed to estimate the critical transverse field where the spin-glass transition occurs, as well as the critical exponents of the correlation length and the spin-glass susceptibility. For the latter two, good agreement is found with recent estimates from the literature for different random couplings. We also address the spin-overlap distribution within the spin-glass phase, finding that, for the workable system sizes, it displays a non-trivial double-peak shape with large weight at zero overlap.

We derive the tree-level interaction vertices of the linear sigma model with quarks in the presence of global rotation. Starting from the scalar and fermionic field solutions in a rotating background, we construct the corresponding spectral representations and use them to evaluate the mesonic self-interactions and Yukawa couplings of the model. We show that rotation modifies the usual momentum-space structure of the interaction vertices: conservation of longitudinal momentum is accompanied by angular-momentum selection rules, while the transverse dynamics is encoded in rotation-induced radial form factors involving products of Bessel functions. The resulting expressions provide a set of interaction rules adapted to the symmetries and finite geometry of the rotating system. Although derived within the linear sigma model with quarks, the structures obtained for scalar self-interactions and scalar-fermion couplings can be extended to a broader class of quantum field theories under global rotation. These results provide the building blocks for perturbative calculations and contribute toward a microscopic quantum-field-theoretical description of interacting matter in rotating environments.

Describing fermionic systems with attractive interactions, such as superconductors and atomic nuclei, beyond the mean-field level remains a central challenge. In this work, we investigate the performance of Bogoliubov fully self-consistent GW (Bog.~scGW) and second-order Green's function (Bog.~scGF2) methods, implemented within a unified imaginary-time and imaginary-frequency framework. Using the attractive Hubbard model as a benchmark against full configuration interaction (FCI), we find that Bog. scGF2 provides a more accurate description than Bog.~scGW. In particular, Bog.~scGW systematically overestimates the correlation energy, with errors increasing rapidly as the attractive interaction strength grows. These results highlight the importance of exchange contributions in strongly correlated fermionic systems, even when exchange effects are included only at low order in perturbation theory.

We develop a spacetime neural network method with second order optimization for solving quantum dynamics from the high dimensional Schr\"{o}dinger equation. In contrast to the standard iterative first order optimization and the time-dependent variational principle, our approach utilizes the implicit mid-point method and generates the solution for all spatial and temporal values simultaneously after optimization. We demonstrate the method in the Schr\"{o}dinger equation with a self-normalized autoregressive spacetime neural network construction. Future explorations for solving different high dimensional differential equations are discussed.

An observable in an Effective Field Theory (EFT) is an expansion in a set of small parameters, no different than any other perturbation series. Truncating such a series expansion leaves the leading dropped term as the dominant source of error, and that term itself contains a calculable portion. We explore the partial calculation of this next-order error, available at dim-6^2 in SMEFT with no additional tools needed to simulate it, and explore how to efficiently use that partial calculation to model the next-order uncertainty in full using a minimal number of nuisance parameters. This estimate of the uncertainty of the EFT signal rate naturally imposes EFT validity by ensuring that bounds are driven by kinematic regions where truncation uncertainties are parametrically smaller than the signal. We incorporate the calculable dim-6^2 piece into the signal and cover the remaining higher-dimension uncertainty with a small set of nuisance parameters derived from a scan over Wilson-coefficient values. Our algorithm to determine the relevant nuisance parameters and distributions is automation-friendly and applies to arbitrary truncation choices. We then provide multiple examples of its implementation in high-energy collider processes focused on SMEFT truncated at O(Λ^{-2}), where the dim-6^2 piece is used to estimate the full mathcal O(Λ^{-4}) dependence. In the examples considered here the reduction of nuisance parameters is appreciable, generically reducing the nuisance parameter count by an order of magnitude compared to naïve estimates.

We derive rates of exponential relative-entropy decay for a broad class of infinite-dimensional quantum Gibbs samplers. A key technical ingredient is a perturbative stability theory for hypercontractive estimates and logarithmic Sobolev inequalities. For suitably chosen dissipative couplings, we obtain exponential entropy decay for full multimode Bose-Hubbard samplers with arbitrary hopping and repulsive density interactions. For harmonically confined quantum Coulomb gases and molecular systems, we prove exponential entropy decay for every fixed finite-rank low-energy truncation of the interaction. Finally, we exhibit a periodic charging model with a positive spectral gap but no finite-time L^2-to-L^p bound for any p>2.

Chirality plays an important role in many optical phenomena, and it is crucial to have efficient and accurate numerical algorithms to simulate solutions in this setting. In this paper, we discuss a High-Order Spectral method coupled to geometric regular perturbation theory, which results in just such a method. We view the chirality of the laterally periodic, constant permittivity/permeability structure as deviating from a background value, and demonstrate analyticity of the field scattered by a plane electromagnetic wave with respect to this deformation. This analyticity is not only with respect to chirality deformations of arbitrarily large real size, but also joint in the spatial variables. We also show how the High--Order Perturbation of Envelopes (HOPE) recursions, which we used to establish these results, can be implemented as a rapid, robust, and reliable numerical algorithm.

The KMOC formalism provides a systematic framework for extracting classical observables perturbatively from on-shell scattering amplitudes. In this work, we apply this formalism to compute electromagnetic observables in four dimensions, focusing in particular on the linear memory effect and its tail contributions. Using the leading and subleading soft-photon theorems to construct the soft radiation kernel, we demonstrate how these infrared observables emerge directly from amplitude data. We further show that demanding the expected non-perturbative properties of memory and tail effects imposes a nontrivial set of consistency conditions on the underlying S-matrix. We interpret these constraints as imposing the requirement of macroscopic causality on the S-matrix via analysis of inclusive observables.

A refined semi-holographic non-Fermi liquid model, in which carrier electrons hybridize with operators of a holographic critical sector, has been proposed recently for strange metallic behavior. The model, consistently with effective theory approach, has two couplings whose ratio is related to the doping. We explain the origin of the linear-in-T resistivity and strange metallic behavior as a consequence of the emergence of a universal form of the spectral function which is independent of the model parameters when the ratio of the two couplings take optimal values determined only by the critical exponent. This universal form fits well with photoemission data of copper oxide samples for under/optimal/over-doping with a fixed exponent over a wide range of temperatures. We further obtain a refined Planckian dissipation scenario in which the scattering time τ= f cdot hbar /(k_B T), with f being O(1) at strong coupling, but O(10) at weak coupling.

Large nonlinear recurrent neural networks with random couplings generate high-dimensional, potentially chaotic activity whose structure is of interest in neuroscience and other fields. A fundamental object encoding the collective structure of this activity is the N times N covariance matrix. Prior analytical work on the covariance matrix has been limited to low-dimensional summary statistics. Recent work proposed an ansatz in which, at large N, the covariance matrix for a typical quenched realization takes the same form as that of a linear network with the same couplings, driven by independent noise, with DMFT order parameters setting the transfer function and the noise spectrum. Here, we derive this ansatz using the two-site cavity method, providing two derivations with complementary perspectives. The first decomposes each unit's activity into a linear response to its local field and a nonlinear residual, and shows that cross-covariances between residuals at distinct sites are strongly suppressed, so the residuals act as independent noise driving a linear network. The second derives a self-consistent matrix equation for the covariance matrix. A naive Gaussian closure for the joint statistics of local fields at distinct sites misses cross terms that, in a linear network, would be generated by an external drive. The cavity method recovers these terms from non-Gaussian contributions, revealing an emergent external drive. Higher-order cross-site moments follow a Wick-like decomposition into products of pairwise covariances at leading order, reducing them to the linear-equivalent form. We verify the predictions in simulations. These results extend linear equivalence from feedforward high-dimensional nonlinear systems, where the activations are independent of the weights, to recurrent networks, where the activations are correlated with the couplings that generate them.

Isolated quantum many-body systems which thermalize under their own dynamics are expected to act as their own thermal baths, thereby bringing their local subsystems to thermal equilibrium. Here we show that the infinite-dimensional limit of a quantum lattice model, as described by Dynamical Mean-Field theory (DMFT), provides a natural framework to understand this self-consistent thermalization process. Using the Fermi-Hubbard model as working example, we demonstrate that the emergence of a self-consistent bath thermalising the system is characterized by a sharp thermalization front, moving balistically and separating the initial condition from the long-time thermal fixed point. We characterize the full DMFT dynamics through an effective temperature for which we derive a travelling-wave equation of the Fisher-Kolmogorov-Petrovsky-Piskunov (FKPP) type. This equation allows to predict the asymptotic shape of the front and its velocity, which match perfectly the full DMFT numerics. Our results provide a new angle to understand the onset of quantum thermalisation in closed isolated systems.

We develop analytical and particle-based methods for uncertainty propagation in random neural network models, where both the inputs and network parameters are allowed to be random. Building on the piecewise-linear structure of the Leaky ReLU activation function, we derive a local approximation of the neural network output with respect to perturbations in both its inputs and parameters. This approximation is exact for perturbations that preserve the network activation pattern, and it allows us to compute analytical expressions for the probability density function and characteristic function of the network output, together with closed-form approximations for its mean and covariance. We extend this uncertainty propagation framework to autonomous dynamical systems whose one-step evolution map is represented by a random neural network. Repeated application of this map defines an autoregressive model, for which we derive recursive equations to propagate uncertainty in both the state and network parameters over time. These equations explicitly account for the state-parameter cross-covariance that develops under successive iterations of the network. Numerical experiments on the Lorenz-63 system and the Kuramoto-Sivashinsky equation demonstrate accurate uncertainty propagation through the predictability horizon and the applicability of the proposed framework to high-dimensional dynamical systems.

The perturbative QCD corrections to the hadronic decay width of the W boson are currently known up to next-to-next-to-next-to-next-to-leading order (N^4LO), whereas the exact N^5LO correction remains unavailable owing to its formidable computational complexity. In this work, we estimate the N^5LO contributions by adopting Bayesian analysis (BA). Before performing the estimation, the Principle of Maximum Conformality (PMC) is employed to improve the precision of the initial scale-dependent perturbative series. Through recursive application of the renormalization group equation, non-conformal terms are absorbed into the strong running coupling, yielding a scheme-independent, scale-invariant perturbative series with improved convergence. The PMC procedure determines an effective coupling α_s(Q_*), with the PMC scale fixed as Q_* = 100.102~GeV at next-to-next-to-leading logarithmic accuracy. Based on the improved and more precise series, the 95.5% BA credible interval yields an uncertainty of Δδ_QCD|_{PMC, BA}^{N^5LO} = pm 1.0times 10^{-5}. The resulting hadronic branching ratio is B(Wto hadrons)|_PMC = (65.84pm 1.54)%, which is consistent with experimental data within reasonable errors.

Motivated by topologically protected states in wave physics, we study localised eigenmodes in one-dimensional periodic media with defects. The Su-Schrieffer-Heeger model (the canonical example of a one-dimensional system with topologically protected localised defect states) is used to demonstrate the method. Our approach can be used to describe two broad classes of perturbations to periodic differential problems: those caused by inserting a finite-sized piece of arbitrary material and those caused by creating an interface between two different periodic media. The results presented here characterise the existence of localised eigenmodes in each case and, when they exist, determine their eigenfrequencies and provide concise analytic results that quantify the decay rate of these modes. These results are obtained using both high-frequency homogenisation and transfer matrix analysis, with good agreement between the two methods.

In this paper, we study the long time dynamics of small perturbations of static domain walls in weighted Sobolev spaces for the one dimensional Schrödinger map with constant Dzyaloshinskii-Moriya interaction. The perturbation equation contains derivative nonlinearities, and its linearized operator has a threshold resonance. The results are twofold. (i) We prove the asymptotic stability of the domain wall modulo the translation and rotation symmetries. More precisely, the corresponding modulation parameters converge as time tends to infinity, while the radiation decays at the sharp rate t^{-1/2}. (ii) We prove that the radiation exhibits modified scattering, with an explicit logarithmic phase correction generated by the long range cubic interaction. The proof develops geometric reduction to overcome the loss of derivatives and exploits structural cancellations in the nonlinear interactions.

Machine-learning models trained directly on electronic spectra can predict spin--orbit-driven properties, yet models with comparable predictive accuracy may learn different electronic dependencies. We examine this problem using magnetic anisotropy in atomic-scale magnets and a validation strategy designed to assess the physical relevance of learned spectral relationships. We compare a bidirectional gated recurrent unit and a one-dimensional convolutional neural network, both trained to predict magnetic anisotropy energy (MAE) from spin- and orbital-resolved scalar-relativistic densities of states (SR-DOS). Despite comparable in-domain (ID) accuracy, the architectures learn only partly overlapping spectral dependencies. Shapley additive explanations identify spectral features shared between the two architectures that can be associated with plausible spin--orbit-coupling pathways consistent with second-order perturbation theory (PT2). Adding PT2-derived MAE contributions to the model inputs has little effect on ID performance but can improve transfer beyond the training domain, with gains differing between architectures. Controlled spectral perturbations further demonstrate that similar attribution patterns do not imply the same functional dependence of the predicted MAE on spectral weight. The contrasting responses provide a functional context for architecture-dependent out-of-domain transfer. End-to-end learning can identify candidate electronic signatures of magnetic anisotropy. Their credible microscopic interpretation, however, rests on convergent evidence from predictive performance, model comparison, physical theory, controlled spectral interventions, and evaluation under distribution shift.

The active Brownian particle (ABP) model is one of the most widely used particle-based models in studies of scalar active fluids. A collection of interacting ABPs is known to exhibit intriguing phenomena that are absent in equilibrium counterparts. A prominent example is spontaneous phase separation, known as motility-induced phase separation (MIPS), which occurs even in the absence of explicit attractive interactions. In parallel, the large-scale behavior of scalar active fluids is often modeled using continuum descriptions, namely, scalar field theories. Such scalar active field theories are usually formulated in a top-down manner, and establishing their connections to particle-based models remains challenging, with these connections not yet fully understood. To advance the microscopic derivation of scalar active field theories, we revisit the connection between ABPs interacting via a two-body potential in two dimensions and scalar field theories that include all possible terms up to fourth order in spatial gradients. Our approach is based on a pressure expansion and the renormalization group (RG) method in the context of singular perturbation theory. The RG method provides a systematic way to eliminate fast variables and identify the dynamics on the slow invariant manifold. Within this framework, scalar field theories can be obtained as RG flow equations. We also apply this method to a chiral variant of the ABP model, the chiral ABP (cABP) model, in which a constant torque biases particle rotation to the left or right. We show that the scalar field theory corresponding to the cABP model contains two ``odd'' terms in addition to those present in the scalar field theory for ABPs. The method developed here may also be useful for deriving hydrodynamic descriptions of other types of active matter systems.

Calculating the action and the interaction Hamiltonian at higher orders in cosmological perturbation theory is a cumbersome task. We employ the formalism of EFT of inflation in models of single field ultra slow-roll inflation and obtain a non-perturbative result for the Hamiltonian in terms of the Goldstone field pi. To complete the dictionary, a non-linear relation between the curvature perturbations and pi is presented. Equipped with these non-linear results, we calculate the higher order loop corrections in USR models which are employed for PBHs formation. It is shown that the loop corrections on long CMB scales increase rapidly with the number of loop L and the setup will go out of perturbative control at the four-loop level.

We prove a weighted Wasserstein spectral gap for the three-dimensional primitive equations on mathscr E={uin H^1cap L^8: partial_zuin L^4} under finite-rank additive Brownian forcing that is phase-complete finite Fourier and satisfies a quantitative quadratic saturation condition. In particular, four real forcing directions suffice and this number is optimal within the phase-complete class. Consequently, the system is uniquely ergodic and exponentially mixing in the H^1 topology. The main difficulties stem from the lack of sufficiently strong moment bounds and the highly degenerate nature of the noise, placing the problem outside the direct reach of standard methods. We introduce a new quantitative stable--compact asymptotic coupling criterion that captures the delicate balance between the available control of the growth of initial perturbations and the accuracy--cost of compensating them by perturbing the noise. For the primitive equations, this leads to a quantitative infinite-dimensional Hörmander analysis requiring tracking the degree and coefficient cost of Lie-bracket polynomials with the Fourier frequency.

Our aim is to contribute to quantum field theory (QFT) formalisms useful for descriptions of short time phenomena, dominant especially in heavy ion collisions. We formulate out-of-equilibrium QFT within the finite-time-path formalism (FTP) and renormalization theory (RT). The potential conflict of FTP and RT is investigated in g phi^3 QFT, by using the retarded/advanced (R/A) basis of Green functions and dimensional renormalization (DR). For example, vertices immediately after (in time) divergent self-energy loops do not conserve energy, as integrals diverge. We "repair" them, while keeping d<4, to obtain energy conservation at those vertices. Already in the S-matrix theory, the renormalized, finite part of Feynman self-energy Sigma_{F}(p_0) does not vanish when |p_0|rightarrowinfty and cannot be split to retarded and advanced parts. In the Glaser--Epstein approach, the causality is repaired in the composite object G_F(p_0)Sigma_{F}(p_0). In the FTP approach, after repairing the vertices, the corresponding composite objects are G_R(p_0)Sigma_{R}(p_0) and Sigma_{A}(p_0)G_A(p_0). In the limit drightarrow 4, one obtains causal QFT. The tadpole contribution splits into diverging and finite parts. The diverging, constant component is eliminated by the renormalization condition langle 0|phi|0rangle =0 of the S-matrix theory. The finite, oscillating energy-nonconserving tadpole contributions vanish in the limit trightarrow infty .

We investigate the spectral statistics of random perturbations of semiclassical Schrödinger operators on compact manifolds, near energy levels corresponding to chaotic classical dynamics. The prototypical example is that of an operator h^2Δ+V(x) that is perturbed by a smooth potential h^αV_ω with αin (0,1), and V_ω is a random potential that decorrelates on distances h^β, with 0<β<2α. We show that for a generic perturbation, the spectral fluctuations of the smoothed counting function of eigenvalues obey a universal behavior at a certain mesoscopic scale, which is coherent with the predictions of random matrix theory.

We study a fully connected Hopfield-type associative memory network with online activity-dependent synaptic plasticity, where neural states and synaptic couplings coevolve during retrieval. Using the generating-functional formalism, we derive a dynamical mean-field theory (DMFT) in the large-system limit with extensively many stored random patterns, and show that the many-body dynamics reduces to an effective single-site stochastic process with colored Gaussian crosstalk noise and delayed feedback terms. Numerical solutions of the DMFT equations agree well with direct simulations. We find that moderate plasticity enlarges the basin of attraction and increases the maximum retrievable memory load by generating a positive delayed feedback that stabilizes retrieval against crosstalk noise. However, excessively strong plasticity causes the network to imprint the imperfect initial cue itself, leading to spurious attractors and degraded retrieval performance. Consequently, an optimal plasticity strength emerges from the trade-off between memory stabilization and premature cue imprinting. These results extend the DMFT description of associative memory to networks with coevolving neural and synaptic dynamics.

We present a state-specific second-order perturbation theory based on a configuration interaction singles (CIS) reference and its generalized Fock operator. Starting from a fully internally contracted construction, we retain the complete doubles space and internally contracted triples in the first-order wave function. We consider two partitions, Canonical and Block-diagonal, with reference excitation energies given by the Fock excitation gap ω^{(0)} and the CIS excitation energy ω_{rm CIS}, respectively. Our analysis establishes that strict size-intensivity is preserved when the contracted-triples denominators use bare Fock gaps and the occupied--virtual Fock block is projected to remove residual spectator coupling. Based on this observation, combining Canonical triples with Block-diagonal doubles yields a size-intensive Hybrid partition. These properties are verified for water with non-interacting helium atoms. Our formulation enables O(o^3v^2) cost per matrix--vector product in a semicanonical basis. On the QUEST\#1 benchmark, Canonical and Block-diagonal show opposite systematic biases, whereas Hybrid gives the best overall accuracy among the three partitions. Its mean absolute errors for singlets and triplets are 0.24 and 0.15~eV, compared with 0.28 and 0.22~eV for CIS(D). The improvement is largest for Rydberg excitations, although CIS(D) remains more accurate for valence singlets.

We characterise the dynamics of neuronal activity, in terms of field theory, using neural units placed on a 2D-lattice modelling the cortical surface. The electrical activity of neuronal units was analysed with the aim of deriving a neural field model with a simple functional form that still able to predict or reproduce empirical findings. Each neural unit was modelled using a neural mass and the accompanying field theory was derived in the continuum limit. The field theory comprised coupled (real) Klein-Gordon fields, where predictions of the model fall within the range of experimental findings. These predictions included the frequency spectrum of electric activity measured from the cortex, which was derived using an equipartition of energy over eigenfunctions of the neural fields. Moreover, the neural field model was invariant, within a set of parameters, to the dynamical system used to model each neuronal mass. Specifically, topologically equivalent dynamical systems resulted in the same neural field model when connected in a lattice; indicating that the fields derived could be read as a canonical cortical field theory. We specifically investigated non-dispersive fields that provide a structure for the coding (or representation) of afferent information. Further elaboration of the ensuing neural field theory, including the effect of dispersive forces, could be of importance in the understanding of the cortical processing of information.

Asymptotic Safety provides a promising framework for the quantization of Scalar-Tensor theories as non-perturbatively renormalizable quantum field theories. Over the past years, growing evidence has accumulated for the existence of non-trivial renormalization group fixed points in a variety of Scalar-Tensor models. In this work, we investigate the robustness of these fixed points under significant modifications of the computational setup. In particular, we employ a gauge condition that explicitly depends on the dynamical scalar field, going beyond a mere gauge-parameter deformation of the standard linear covariant gauges commonly used in the literature. Exploring different field parameterizations, we identify fixed points belonging to the Gaussian Matter class in four spacetime dimensions that are consistent with previous studies. The real part of the critical exponents associated with the scalar-field mass and the non-minimal scalar-curvature coupling turn out to have very small absolute value. We provide a comprehensive exploration of how the anomalous dimension of the scalar field and field parameterization impact those critical exponents showing that fixed-point candidates with two or four relevant directions emerge.

We update predictions for observables in the "delicate" D3/anti-D3 inflationary model on the conifold. We use a full CMB likelihood calculation to assess goodness-of-fit, which is necessary because in this model the zeta power spectrum often cannot be modelled as a power-law over observable scales. For the first time we are able to provide accurate forecasts for the amplitude of three-point correlations. In a significant portion of its parameter space the model follows Maldacena's single-field prediction fNL ~ -(5/12)(ns-1) if nt << 1. Therefore |fNL| is usually small when the power spectrum satisfies observational constraints. In a small number of cases the bispectrum is instead dominated by effects from rapid switching between angular minima. The resulting amplitudes are larger, but mostly with unacceptable spectral behaviour. In the most extreme case we obtain |fNLeq| ~ 75 at kt/3 = 0.002/Mpc. It has been suggested that the quasi-single field inflation ("QSFI") mechanism could produce significant 3-point correlations in this model. We do observe rare shifts in amplitude between equilateral and squeezed configurations that could possibly be associated with QSFI effects, but more investigation is needed to establish the full bispectrum shape. There is evidence of "shape" running between equilateral and squeezed configurations that may be inherited from the scale dependence of the spectrum. We explore the dependence of observables on discrete choices such as the truncation point of the potential. Our analysis illustrates the advantages of a standard format for information exchange within the inflationary model-building and testing community.

Disordered stealthy hyperuniform (SHU) systems are emerging as platforms for controlling classical and quantum transport due to vanishing single-scattering contributions in the stealthy regime. Here, to our knowledge, we present the first perturbation theory of one-dimensional quantum transport through a continuum of identical point scatterers with SHU positional disorder. Our perturbation theory indicates the exact cancellation of all the lower-order terms due to the Fourier-space stealthy condition S(q)=0, and the further suppression of the lowest non-vanishing fourth order in the Lyapunov exponent λ(k) due to the real-space hyperuniform constraint limlimits_{Dtoinfty}σ_D^2=c<infty. Our findings presents universal implications of the general wave-propagation phenomena in disordered SHU systems.

We combine a regularized variant of the strongly constrained and appropriately normed semilocal density functional [J. Sun, A. Ruzsinszky, and J. P. Perdew, Phys. Rev. Lett. 115, 036402 (2015)] with the latest generation semi-classical London dispersion correction. The resulting density functional approximation r2SCAN-D4 has the speed of generalized gradient approximations while approaching the accuracy of hybrid functionals for general chemical applications. We demonstrate its numerical robustness in real-life settings and benchmark molecular geometries, general main group and organo-metallic thermochemistry, as well as non-covalent interactions in supramolecular complexes and molecular crystals. Main group and transition metal bond lengths have errors of just 0.8%, which is competitive with hybrid functionals for main group molecules and outperforms them for transition metal complexes. The weighted mean absolute deviation (WTMAD2) on the large GMTKN55 database of chemical properties is exceptionally small at 7.5 kcal/mol. This also holds for metal organic reactions with an MAD of 3.3 kcal/mol. The versatile applicability to organic and metal-organic systems transfers to condensed systems, where lattice energies of molecular crystals are within chemical accuracy (errors <1 kcal/mol).

We introduce featom, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or exponential, and the convergence can be systematically controlled by increasing the number and/or polynomial order of the finite element basis functions. The Dirac equation is solved using a squared Hamiltonian approach to eliminate spurious states. To address the slow convergence of the kappa=pm1 states due to divergent derivatives at the origin, we incorporate known asymptotic forms into the solutions. We achieve a high level of accuracy (10^{-8} Hartree) for total energies and eigenvalues of heavy atoms such as uranium in both Schr\"odinger and Dirac Kohn-Sham solutions. We provide detailed convergence studies and computational parameters required to attain commonly required accuracies. Finally, we compare our results with known analytic results as well as the results of other methods. In particular, we calculate benchmark results for atomic numbers (Z) from 1 to 92, verifying current benchmarks. We demonstrate significant speedup compared to the state-of-the-art shooting solver dftatom. An efficient, modular Fortran 2008 implementation, is provided under an open source, permissive license, including examples and tests, wherein particular emphasis is placed on the independence (no global variables), reusability, and generality of the individual routines.

In this paper, we study the problem of sampling from a probability distribution using Langevin-type dynamics. We consider overdamped Langevin dynamics perturbed by adding a Stratonovich perturbation that preserves reversibility. We prove an optimal scaling for the Stratonovich perturbation applied to Gaussian target distributions and derive an algorithm to construct such perturbation. Our theoretical results are supplemented by numerical experiments in which we compare our proposed method with nonreversible samplers and overdamped Langevin dynamics. Our numerical experiments demonstrate the efficiency of the approach beyond the quadratic case.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

The Multilevel Markov chain Monte Carlo algorithm accelerates Bayesian inversion by exploiting correlations between discretized quantities of interest across a hierarchy of model resolutions. A key practical parameter is the subsampling rate used to generate coarse-level proposals for the finer-level chains. Existing practice sets this rate equal to an integrated autocorrelation time as a proxy for proposal decorrelation, but this choice can be overly conservative and lead to substantial computational overhead. In this work we treat finite subsampling as an error-budget question. We derive a cost-error criterion for selecting a computationally efficient subsampling rate using estimates of sample variances, integrated autocorrelation times, and per-level costs. The criterion balances multilevel sampling errors across levels rather than enforcing approximate independence of the coarse proposals. We clarify the theoretical role of independence through an ideal reset-reference kernel, for which independent coarse proposals may be replaced by proposals generated from a reversible coarse-level kernel. We derive a Poisson-equation representation of the perturbation bias resulting from finite subsampling. Under a state-averaged lower-level forgetting assumption, this yields a conditional geometric perturbation-bias bound; in computation, the corresponding projected diagnostic is used as an empirical error-budget check. Numerical experiments on a highly autocorrelated elasticity beam benchmark show substantial reductions in computational cost compared with IAT-based subsampling. A second Darcy-flow inverse problem gives supporting evidence of qualitatively similar finite-subsampling behaviour in another elliptic benchmark.

The precise equivalence between discretized Euclidean field theories and a certain class of probabilistic graphical models, namely the mathematical framework of Markov random fields, opens up the opportunity to investigate machine learning from the perspective of quantum field theory. In this contribution we will demonstrate, through the Hammersley-Clifford theorem, that the φ^{4} scalar field theory on a square lattice satisfies the local Markov property and can therefore be recast as a Markov random field. We will then derive from the φ^{4} theory machine learning algorithms and neural networks which can be viewed as generalizations of conventional neural network architectures. Finally, we will conclude by presenting applications based on the minimization of an asymmetric distance between the probability distribution of the φ^{4} machine learning algorithms and target probability distributions.

We present a non-perturbative framework for the quantum treatment of vibrational excitation in molecular systems driven by electric fields with arbitrary time dependence. For harmonic potentials with linear dipole coupling, the field-induced dynamics is exactly described by a displaced coherent state, whose evolution is completely determined by a complex phase-space coordinate. Closed-form expressions for this coordinate reveal a clear distinction between resonant and non-resonant regimes. The resulting vibrational populations follow a Poisson distribution determined by a dimensionless time-dependent phase-space displacement, for both resonant and non-resonant driving. Resonant driving results in an enhanced phase-space displacement, whereas finite detuning between the driving and vibrational frequencies leads to an exponential suppression of the phase-space displacement and vibrational excitation. While the approach reduces to the standard time-dependent perturbation theory in the weak-field limit, it remains valid in the strong-field regime, where perturbative treatments fail. Our results provide a transparent phase-space picture of vibrational control and enable non-perturbative state preparation in ultrafast spectroscopy.

The second part of Hilbert's 16th problem is one of the most fundamental open problems in the qualitative theory of ordinary differential equations and dynamical systems. A central unresolved question is whether the Hilbert number H(d) is finite for arbitrary polynomial degree d. (A very recent manuscript from OpenAI asserts the finiteness of H(d); see the remark at the end of this paper.) In the absence of a general upper bound theory, most existing work constructs explicit perturbed polynomial systems to obtain improved lower bounds for H(d), while rigorous upper bound estimates remain largely unavailable. This paper focuses on improving the quantitative lower bound for polynomial systems through a systematic Hierarchical Melnikov Realization framework. We construct perturbed dynamics based on an anisotropic Chebyshev Hamiltonian, where hierarchically selected perturbation coefficients generate simple zeros of the first-order Melnikov function simultaneously across multiple disjoint period annuli. Two distinct 3-adic filtrations supply the necessary logarithmic correction factors, and a Borel--Gauss analysis establishes the required local rank condition under sufficiently strong anisotropy. As the main result of this work, we prove that H(d)=Ωbigl(d^2ln^2 dbigr), which improves the previously known lower bound by a factor of ln d. The full construction of limit cycles and the resulting dynamical bounds are formally certified using Lean 4 formal verification.

For the large and chemically diverse GMTKN55 benchmark suite, we have studied the performance of density-corrected density functional theory (HF-DFT), compared to self-consistent DFT, for several pure and hybrid GGA and meta-GGA exchange-correlation (XC) functionals (PBE, BLYP, TPSS, SCAN) as a function of the percentage of HF exchange in the hybrid. The D4 empirical dispersion correction has been added throughout. For subsets dominated by dynamical correlation -- particularly noncovalent interaction subsets -- HF-DFT is highly beneficial, particularly at low HF exchange percentages. For subsets with significant static correlation (i.e., where a Hartree-Fock determinant is not a good zero-order wavefunction), HF-DFT may do more harm than good. While the self-consistent series show optima at or near 37.5% (i.e., 3/8) for all four XC functionals -- consistent with Grimme's proposal of the PBE38 functional -- HF-BnLYP-D4, HF-PBEn-D4, and HF-TPSSn-D4 all exhibit minima nearer 25% (i.e., 1/4). Intriguingly, for HF-SCANn-D4, the minimum is near 10%, but the weighted mean absolute error (WTMAD2) for GMTKN55 is only barely lower than that of HF-SCAN-D4 (i.e., where the post-HF step is a pure meta-GGA). The latter becomes an attractive option, only slightly more costly than pure Hartree-Fock, and devoid of adjustable parameters other than the three in the dispersion correction. Moreover, its WTMAD2 is only surpassed by the highly empirical M06-2X and by the combinatorically optimized empirical range-separated hybrids wB97X-V and wB97M-V.

We study the transverse-field axial next-nearest-neighbor Ising (ANNNI) model on the square lattice and on a bilayer. At the classical multiphase point κ=J_2/J_0=1/2, every configuration of straight domain walls that separates domains of at least two sites is a ground state. The walls are rigid, so perturbation theory in the transverse field g=Γ/J_0 can be carried out for each configuration separately, and we take it to order g^8. Quantum fluctuations select langle 3rangle (uparrowuparrowuparrowdownarrowdownarrowdownarrow) at order g^2, because spins next to a wall gain the most energy from virtual flips. The structures langle 23rangle, langle 223rangle and langle 2223rangle then open between langle 3rangle and the antiphase langle 2rangle at orders g^4, g^6 and g^8, in the order of the Fisher-Selke sequence of the classical three-dimensional model. A second layer suppresses each successive phase more strongly, beyond the stiffening of the local fields. We test the two widest phases with stochastic series expansion quantum Monte Carlo, comparing the free energies of the competing ordered states by thermodynamic integration, since annealing freezes in the modulation that forms at the ordering transition. The simulations reproduce the langle 3rangle wedge to about 1%, and in a pre-registered test langle 23rangle is stable at six of seven points, with the seventh resolved by post-hoc runs.

We study spontaneous scalarization of static, spherically symmetric black holes in scalar--Gauss--Bonnet gravity with a Ricci coupling F=1 βϕ^{2}/4+γβ^{2}ϕ^{4}+O(ϕ^{6}) that nonlinearly completes the quadratic one. For arbitrary couplings and potential, we derive the near-horizon regularity condition and horizon curvature invariants in closed form; scalarized branches terminate where this condition degenerates, at finite horizon curvature. A weakly nonlinear expansion fixes the bifurcation direction exactly: for a massless scalar, its governing coefficient is quadratic in β, changes sign at β=1.1156, and depends linearly on a quartic self-interaction. At equal horizon values of the scalar, completions differ in mass, to leading order, in proportion to γ. A radial-perturbation master equation for arbitrary couplings confirms the exchange of stability at the bifurcation and turning points. Consequently, the domain of radially stable black holes shrinks as γ increases over the range studied; it is smaller for the exponential completion than for the quadratic truncation.

Solving the quantum many-body ground state problem remains a central challenge in computational physics. In this context, the Variational Monte Carlo (VMC) framework based on Projected Entangled Pair States (PEPS) has witnessed rapid development, establishing itself as a vital approach for investigating strongly correlated two-dimensional systems. However, standard PEPS-VMC algorithms predominantly rely on sequential local updates. This conventional approach often suffers from slow convergence and critical slowing down, particularly in the vicinity of phase transitions or within frustrated landscapes. To address these limitations, we propose an efficient autoregressive row-wise sampling algorithm for PEPS that enables direct, rejection-free sampling via single-layer contractions. By utilizing autoregressive single-layer row updates to generate collective, non-local configuration proposals, our method significantly reduces temporal correlations compared to local Metropolis moves. We benchmark the algorithm on the two-dimensional transverse-field Ising model and the quantum spin glass. Our results demonstrate that the row-wise scheme effectively mitigates critical slowing down near the Ising critical point. Furthermore, in the rugged landscape of the quantum spin glass, it yields improved optimization stability and lower ground-state energies. These findings indicate that single-layer autoregressive row updates provide a flexible and robust improvement to local PEPS-VMC sampling and may serve as a basis for more advanced sampling schemes.

Flow-based generative models have been employed for sampling the Boltzmann distribution, but their application to high-dimensional systems is hindered by the significant computational cost of obtaining the Jacobian of the flow. To overcome this challenge, we introduce the flow perturbation method, which incorporates optimized stochastic perturbations into the flow. By reweighting trajectories generated by the perturbed flow, our method achieves unbiased sampling of the Boltzmann distribution with orders of magnitude speedup compared to both brute force Jacobian calculations and the Hutchinson estimator. Notably, it accurately sampled the Chignolin protein with all atomic Cartesian coordinates explicitly represented, which, to our best knowledge, is the largest molecule ever Boltzmann sampled in such detail using generative models.

As part of a PhD thesis entitled `Scalar perturbations in warm inflation and during reheating' we present a software for computing warm inflation observables. In particular, our Mathematica implementation computes the power spectrum, spectral tilt, and tensor-to-scalar ratio for a given momentum scale. Compared with other implementations, we start in a Bunch-Davies state deep inside the horizon, ideally at a time when thermal noise is exponentially suppressed. We integrate gauge-invariant equations for three curvature perturbations across horizon exit. We continue deep enough outside of horizon so that all curvature perturbations agree. Results are illustrated for Standard Model embedded warm inflation, and we also provide notebooks for several other popular potentials and friction coefficients. The theoretical foundations for the code can be found in the main part of the thesis or in earlier papers [1,2]. Specifically, part II derives gauge-invariant, model-agnostic evolution equations, as well as the noise autocorrelator interpolating between quantum and classical domains. Part III presents the general ideas behind the numerical implementation, while part IV presents selected results. The code is described, line-by-line, in Appendix A. The published PhD thesis is available at https://doi.org/10.48620/101166 while the notebooks can be downloaded from https://github.com/alicarogeljblackhole/Warm-Inflation.

AI-based cellular perturbation prediction is essential to accelerate drug discovery and therapeutic identification. However, perturbation-specific signals are generally obscured by cellular complexity, making it difficult for existing methods to correctly capture perturbation effects. To address this problem, we propose PerturbEnergy, which introduces a conditional energy-based prior over perturbation representations. It assigns lower energy (higher probability) to representations compatible with the given perturbation and higher energy to others, thereby explicitly tilting the latent space toward perturbation-preferred regions. Besides, PerturbEnergy can be integrated into autoencoder architectures as we find its Evidence Lower Bound (ELBO) is equivalent to the ELBO of the complete autoencoder. We further prove that optimizing PerturbEnergy increases the lower bound on the conditional mutual information between representation and perturbation. Extensive experiments on four benchmark datasets demonstrate the effectiveness of our PerturbEnergy: it improves perturbation recognition especially in latent space with improvement of up to 83.2\%; It also achieves state-of-the-art performance for predicting top-50/100/200 differentially expressed gene(DEG) response and remaining competitive on highly variable gene(HVG) prediction. The code is provided: https://github.com/BlueWhaleLab/PerturbEnergy

We study the inverse adjoint problem for a perturbative bosonic outgoing map. Within the polynomial bosonic canonical-commutation-relation (CCR) algebra, we prove a constructive integrability theorem: order-by-order preservation of the CCRs is sufficient to reconstruct recursively a formal self-adjoint generator whose exponential implements the outgoing map by adjoint conjugation. At each order, the Baker--Campbell--Hausdorff contribution determined by previously reconstructed generators is subtracted from the outgoing coefficient, and the remaining homogeneous CCR conditions determine the next generator explicitly. We apply the construction to graviton scattering in the null-surface formulation (NSF), specialized to the flat solution-space sector with Minkowski metric, null generators, affine parameter, and cone measure. The NSF outgoing map preserves the Ashtekar radiative CCRs through (δa_3), corresponding to order (\varepsilon^2). At this order, the scalar CCR sector uniquely selects the symmetric ordering (c=1) for the nontrivial interacting kernel. The associated linear contraction, generated by the same cubic kernel, cancels the double-contraction contribution from ([δa_2,δa_2^\dagger]). The theorem then reconstructs the self-adjoint generators (δT_1) and (δT_2), providing a formal perturbative unitary implementation. The resulting canonical organization also separates the direct (2\to2) contribution into irreducible-loop, one-particle-reducible, and factorized sectors.

We develop an asymptotic perturbation theory for the large logarithmic behavior of the non-linear integro-differential equation describing the soft correlations of QCD jet measurements, the Banfi-Marchesini-Smye (BMS) equation. This equation captures the late-time evolution of radiating color dipoles after a hard collision. This allows us to prove that at large values of the control variable (the non-global logarithm, a function of the infra-red energy scales associated with distinct hard jets in an event), the distribution has a gaussian tail. We compute the decay width analytically, giving a closed form expression, and find it to be jet geometry independent, up to the number of legs of the dipole in the active jet. Enabling the asymptotic expansion is the correct perturbative seed, where we perturb around an anzats encoding formally no real emissions, an intuition motivated by the buffer region found in jet dynamics. This must be supplemented with the correct application of the BFKL approximation to the BMS equation in collinear limits. Comparing to the asymptotics of the conformally related evolution equation encountered in small-x physics, the Balitisky-Kovchegov (BK) equation, we find that the asymptotic form of the non-global logarithms directly maps to the black-disc unitarity limit of the BK equation, despite the contrasting physical pictures. Indeed, we recover the equations of saturation physics in the final state dynamics of QCD.

We study the chemical distance of supercritical Bernoulli percolation on Z^d. Recently, Dembin [Dem22] showed that the chemical distance exhibits sublinear variance, a phenomenon now referred to as superconcentration. In this article, we establish an equivalence between this phenomenon and chaotic behavior of geodesics under small perturbations of the configuration, thereby confirming Chatterjee's general principle relating anomalous fluctuations to chaos in the context of Bernoulli percolation. Our methods rely on a dynamical version of the effective radius, refining the notion first proposed in [CN25], in order to measure the co-influence of a given edge whose weight may be infinite. Together with techniques from the theory of lattice animals, this approach allows us to quantify the total co-influence of edges in terms of the overlap between original and perturbed geodesics.

Solving partial differential equations (PDEs) with machine learning has recently attracted great attention, as PDEs are fundamental tools for modeling real-world systems that range from fundamental physical science to advanced engineering disciplines. Most real-world physical systems across various disciplines are actually involved in multiple coupled physical fields rather than a single field. However, previous machine learning studies mainly focused on solving single-field problems, but overlooked the importance and characteristics of multiphysics problems in real world. Multiphysics PDEs typically entail multiple strongly coupled variables, thereby introducing additional complexity and challenges, such as inter-field coupling. Both benchmarking and solving multiphysics problems with machine learning remain largely unexamined. To identify and address the emerging challenges in multiphysics problems, we mainly made three contributions in this work. First, we collect the first general multiphysics dataset, the Multiphysics Bench, that focuses on multiphysics PDE solving with machine learning. Multiphysics Bench is also the most comprehensive PDE dataset to date, featuring the broadest range of coupling types, the greatest diversity of PDE formulations, and the largest dataset scale. Second, we conduct the first systematic investigation on multiple representative learning-based PDE solvers, such as PINNs, FNO, DeepONet, and DiffusionPDE solvers, on multiphysics problems. Unfortunately, naively applying these existing solvers usually show very poor performance for solving multiphysics. Third, through extensive experiments and discussions, we report multiple insights and a bag of useful tricks for solving multiphysics with machine learning, motivating future directions in the study and simulation of complex, coupled physical systems.

The edge-of-chaos condition preserves first-order input perturbations in wide randomly initialized networks, but physics-informed losses, score matching and derivative regularization depend on higher input derivatives. For smooth scalar-input fully connected networks, using a joint Gaussianity of the finite derivative jet that holds in the infinite-width limit at each fixed depth, we derive mean-field recursions through third order that are exact at the variance fixed point, with finite-depth corrections that decay geometrically. At criticality, the first-derivative variance is depth-invariant, whereas the second-derivative variance grows linearly whenever the activation has nonzero curvature. The resulting third-order system closes on mean-field susceptibilities. For residual networks with branch scale L^{-1/2}, we prove that every fixed finite derivative order has uniformly bounded variance under explicit regularity assumptions. Simulations verify the critical growth laws, the residual bound, and the closed recursion. The results concern initialization, not trained-network performance.

We derive a quantum master equation in Lindblad form for the open quantum Rabi model in the perturbative deep strong coupling regime, where the spectrum is close to degenerate and harmonic. The Lindblad form is obtained by combining secular and singular-coupling approximations, working in a Schrieffer-Wolff transformed frame. We benchmark our equation against a Bloch-Redfield one, analyzing the time-evolution and steady state properties of several observables and find excellent agreement. Analytical results are obtained in limiting cases.

The transition of an impulsively excited kink oscillation of a solar coronal loop to an oscillation with a stationary amplitude, i.e., the damping pattern, is determined using the low-dimensional self-oscillation model. In the model, the decayless kink oscillations are sustained by the interaction of the oscillating loop with an external quasi-steady flow. The analytical solution is based on the assumption that the combined effect of the effective dissipation, for example, by resonant absorption, and interaction with an external flow, is weak. The effect is characterised by a dimensionless coupling parameter. The damping pattern is found to depend upon the initial amplitude and the coupling parameter. The approximate expression shows a good agreement with a numerical solution of the self-oscillation equation. The plausibility of the established damping pattern is demonstrated by an observational example. Notably, the damping pattern is not exponential, and the characteristic decay time is different from the time determined by the traditionally used exponential damping fit. Implications of this finding for seismology of the solar coronal plasmas are discussed. In particular, it is suggested that a very rapid, in less than the oscillation period, decay of the oscillation to the stationary level, achieved for larger values of the coupling parameter, can explain the relative rareness of the kink oscillation events.

We generalize the Hamiltonian Monte Carlo algorithm with a stack of neural network layers and evaluate its ability to sample from different topologies in a two dimensional lattice gauge theory. We demonstrate that our model is able to successfully mix between modes of different topologies, significantly reducing the computational cost required to generated independent gauge field configurations. Our implementation is available at https://github.com/saforem2/l2hmc-qcd .

Traveling waves of activity in neural tissue can be halted by spatial inhomogeneity in synaptic coupling. We study an integrate-and-fire network in which each neuron fires once and the coupling decays exponentially. For this model the leading-edge firing map reduces exactly to a scalar equation for the wave speed in space, with a slow unstable and a fast stable homogeneous speed, c_1 and c_2, and a periodic modulation of the coupling enters this equation pointwise. Positive periodic waves terminate in folds. For slowly varying modulation the fold amplitude approaches a plateau set by the trough of the modulation, where the local bottleneck speed is c_1 c_2; the approach to the plateau is set by the local geometry of the trough. For rapidly varying modulation the fold amplitude grows linearly with frequency, with a slope given by a full-amplitude average over the integrated modulation profile; a weak-ripple truncation of that average overestimates the slope about 2.5-fold at the default coupling. A perturbative recursion in the amplitude gives the speed profile explicitly. We distinguish loss of the periodic wave from failure of a particular launch, and the excitatory regime εle 1 from its sign-changing extension. The results are checked against direct integration of the reduced equation and first-spike firing-map simulations of the network.

Tensor randomized Kaczmarz (TRK) methods are efficient row-action solvers for tensor linear systems under the t-product framework. We study their behavior under a doubly noisy perturbation model. In this model, both the system tensor and the right-hand side tensor are corrupted. We first analyze standard TRK and derive an expected error recursion with two terms. One term is contractive, and the other is a persistent perturbation term. This explains the noise-limited and semi-convergent behavior that can occur when the observed tensor system is inconsistent. We then introduce a spectrally damped tensor randomized Kaczmarz method (SD-TRK). We prove an expected error recursion for SD-TRK that separates error propagation from noise injection. The bound makes explicit a speed-robustness trade-off. We also give an FFT-based implementation that applies the damped update slice-wise in the Fourier domain. This implementation allows frequency-dependent damping parameters in practice. Numerical experiments on synthetic tensor systems illustrate the stabilization behavior of SD-TRK relative to standard TRK in noisy and ill-conditioned settings. We also include a two-pass image reconstruction comparison under the same noisy reconstruction pipeline.

Variational Quantum Algorithms (VQAs) rely heavily on classical optimization routines to navigate high-dimensional, noisy parameter landscapes. However, the evaluation of analytical gradients via the parameter-shift rule requires O(p) circuit executions, rendering this approach computationally prohibitive for deep circuits. While simultaneous perturbation methods provide an O(1) alternative, their gradient estimates suffer from severe O(p) spatial variance, which impedes convergence. To resolve this tension, we introduce the Cached Recycled Variance-Reduced Gradient (CRVG) by leveraging variance reduction techniques. We formulate two variants: a 3-Circuit (1-Sided) Non-Recursive CRVG and a Recursive CRVG. By introducing a center-point caching mechanism, the 3-Circuit CRVG mathematically recycles quantum measurements to reduce the inner-loop circuit complexity by 25\% across both variants. We establish a theoretical separation between the two routing paths to achieve an ε^2-stationary point: the non-recursive variant reaches a sample complexity of O(max{p/ε^2, p^{2/3}/ε^{10/3}}), while the recursive variant achieves an improved complexity of O(max{p/ε^2, p/ε^3}). Empirically, extensive evaluations on MaxCut and Maximum Independent Set (MIS) benchmarks validate these findings. While standard simultaneous perturbation remains a robust baseline across varying depths, CRVG demonstrates targeted advantages in specific amortizable regimes, such as the non-recursive variant on EfficientSU2 circuits and both variants on depth-three QAOA, yielding superior energy minimums and tighter output variances. Ultimately, CRVG establishes a principled bias-throughput trade-off for scaling near-term quantum optimization.

We present a boundary integral equation (BIE) framework for two-dimensional time-harmonic elastic transmission problems. Using the Helmholtz decomposition, the elastodynamic displacement fields are expressed in terms of scalar pressure and shear potentials, so that only the four classical Helmholtz boundary integral operators are needed. The key step is a rewriting of the Navier traction operator in the local normal--tangential frame of the interface, in which second-order normal derivatives are eliminated in favour of tangential derivatives and curvature terms. This leads to a one-parameter family of indirect combined field integral equations, depending on a coupling constant αne 0, which we prove to be uniquely solvable. The principal part of the resulting operator is, however, defective, and the discretized systems are severely ill-conditioned. Using the pseudodifferential calculus of the Helmholtz BIOs, we construct explicit left and right analytical preconditioners and prove that the preconditioned operator is a compact perturbation of the identity. Numerical experiments based on high-order Nyström discretizations confirm that the preconditioner clusters the spectrum: the number of GMRES iterations becomes independent of the discretization and is reduced by one order of magnitude or more, also in the high-frequency regime and for non-convex scatterers.

We study linear perturbations of the Maldacena-Milekhin-Popov (MMP) wormhole in the parity sector that pairs axial metric perturbations with polar gauge perturbations. It contains the axial gravitational mode and the electric field along the magnetic field lines. The lowest Landau level (LLL) of the charged fermions responds through its charge. The gauge components a_τ, a_ρ form a two-dimensional gauge field on the worldsheet of each field line, and the fermions respond with the exact Schwinger current. Lifted over the sphere, it gives the electric field the MMP screening mass m_S^2=αq^2, which is not small and survives in the mouth. In the throat the perturbation tilts the worldsheets, and the Casimir stress tensor acquires mixed components. Force balance then requires a current across the field lines, and charge conservation fixes an accompanying polarisation current, the counterpart of the Hall current of the polar sector. These currents close the Bianchi identities at first order in the fermionic backreaction α. The system reduces to three coupled master equations, given in closed form and matched to the fermion-free mouth. Consistency alone does not select the fermionic constitutive relation, but locality, covariance and the index theorem do. At α=0 the throat reduces to Poschl-Teller problems with masses l(l-1) and (l+1)(l+2) at m_S^2=0. At finite m_S^2 one mode is screened, one tends to the mass l^2+l+2, and one neutral charge-density wave stays exactly massless. The O(α) shifts of the massive normal frequencies are real and negative. The two parity sectors are isospectral only without fermions. The neutral channel sees an attractive region in each mouth, and a numerical solution coupled to the gravitational channel in the exact mouth potential finds no bound state. The sector has no growing mode for lge2 at this order.

This thesis addresses a fundamental problem in deformation quantization: the difficulty of calculating the star-exponential, the symbol of the evolution operator, due to convergence issues. Inspired by the formalism that connects the star-exponential with the quantum propagator for bosonic systems, this work develops the analogous extension for the fermionic case. A rigorous method, based on Grassmann variables and coherent states, is constructed to obtain a closed-form expression for the fermionic star-exponential from its associated propagator. As a primary application, a fermionic version of the Feynman-Kac formula is derived within this formalism, allowing for the calculation of the ground state energy directly in phase space. Finally, the method is validated by successfully applying it to the simple and driven harmonic oscillators, where it is demonstrated that a simplified ("naive") approach (with an ad-hoc "remediation") is a valid weak-coupling limit of the rigorous ("meticulous") formalism, thereby providing a new and powerful computational tool for the study of fermionic systems.

Estimating the symbolic or analytical form of probability density functions (PDFs) from observed samples is a fundamental challenge in statistical and computational modelling. This process is critical for deriving interpretable and generalizable relationships characterizing the underlying phenomenon. Traditionally, this estimation depends strongly on domain expertise and prior field-specific knowledge, with experts selecting appropriate functional forms or parametric families based on empirical evidence and theoretical understanding. The coefficients of these forms are then typically determined through parameter estimation. In this paper, we develop a framework for estimating symbolic expressions of unnormalized distributions from observed samples using domain-specific prior knowledge, such as the range of interactions and a predefined set of primitive functions. We integrate deep generative models with symbolic regression (SR), incorporating inductive biases, such as factorizing large distributions, to keep the problem tractable. The deep generative models we examine include likelihood-based models, viz., flow models, and score-based models. Experiments show the effectiveness of the proposed framework for estimating density functions for multivariate toy distributions as well as lattices from computational physics, namely, XY model and ϕ^4 theory. When applied to the renormalization problem in ϕ^4 theory, the proposed framework estimates compact symbolic approximations of the hamiltonian function at different scales directly from samples, yielding expressions that may be challenging to derive using traditional perturbative or analytic approaches in nonperturbative settings.

A new method of analyzing grid, or aliasing, instabilities is described, in particle-in-cell (PIC) codes for plasma kinetic theory. It starts with a meshfree approach with N_{p} macroparticles, with N_{p}<infty. Linearization of these equations is done about a uniform density non-drifting equilibrium prescribed by macroparticles on a uniform lattice. Macroparticle positions perturbations are induced about this lattice. The resulting linear equations are analyzed for stability and dispersion relations. The linearized equations are then discretized on a grid of N_{g} points with N_{g} le N_{p}, in both momentum conserving (MCP) and energy conserving (ECP) formulations. For a cold stationary plasma, this leads a dynamical matrix. For ECP, the matrix is symmetric and positive definite (SPD) and immediately shows stability. For MCP, the dynamical matrix is neither symmetric nor positive definite, preventing immediate conclusions on stability. For both MCP and ECP and for a cold stationary plasma, the resulting matrix elements vary relative to the meshfree value, a result of aliasing. This deviation is periodic in the displacement of the particle lattice relative to the grid. In the MCP discretization, eigenvalues occur in complex conjugate pairs for general placement of the particle lattice relative to the grid. These conjugate pairs indicate nonnegative growth rates. The nature of the aliasing is studied and shown to be related to the trapezoidal rule error over the grid. The scaling of the linear growth rates with respect to N_{g} and especially with respect to N_{ppc} is studied. These analytical results are compared with PIC simulations and found to be in excellent agreement. The connection with a cold drifting beam is discussed briefly, specifically, grid-induced instabilities for both the MCP and ECP.

We modify the NN/QFT duality [1] to incorporate the layerwise permutation symmetry of the network, resulting in a (0!+!1)-dimensional lattice gauge theory, in which each layer of N neurons acts as an N-component lattice site, and the weight matrices play the role of gauge fields living on the links. In this framework, we compute the tree-level neuron-neuron propagator which describes the evolution of layer variance in the network, and develop the Feynman diagram machinery to compute interactions in the perturbative expansion in 1/N. In particular, we obtain a recursive expression for all corrections to the exact propagator at O(1), representing statistical fluctuations in the ensemble of networks, including infinitely-many loop diagrams mediating the interactions from previous layers. We also present a preliminary analysis of neuron scattering amplitudes that contribute order-by-order in 1/N, which provides a field-theoretic framework for studying higher-point correlations, and by extension information propagation, in deep networks. We remark on some interesting directions for future work at the intersection of neural networks and quantum field theory.

Conditional mutual information (CMI) probes spatial non-Markovianity and plays a central role in a recently developed framework for defining mixed-state phases based on local reversibility. This framework sharply distinguishes exponentially decaying from algebraically decaying CMI, since the latter obstructs equivalence to a state with finite Markov length. Here we show that states that flow to the same renormalization-group (RG) fixed point can nevertheless exhibit qualitatively different CMI. Starting from a critical Gibbs state of a finite-range local classical Hamiltonian, whose CMI vanishes beyond the interaction range, we show that an RG-irrelevant perturbation that breaks detailed balance generically generates algebraically decaying CMI. Crucially, these power-law tails are cutoff-suppressed: although they lead to an infinite Markov length at every fixed lattice cutoff, they vanish as a positive power of the cutoff in the continuum limit. We construct solvable models that exhibit this phenomenon and predict that the Ising-symmetric critical point of Toom's cellular automata generically exhibits such behavior. We also find analogous cutoff-suppressed CMI in the high-temperature paramagnetic phase of the long-range Ising paramagnet, in contrast with the genuine power-law CMI at the finite-temperature critical point in this same model that survives the continuum limit. We also derive a general result that in one spatial dimension, CMI decays faster than the inverse square of the buffer length if and only if the long-distance physics is Markovian.

Minkowski functionals quantify the morphology of smooth random fields. They are widely used to probe statistical properties of cosmological fields. Analytic formulae for ensemble expectations of Minkowski functionals are well known for Gaussian and mildly non-Gaussian fields. In this paper we extend the formulae to composite fields which are sums of two fields and explicitly derive the expressions for the sum of uncorrelated mildly non-Gaussian and Gaussian fields. These formulae are applicable to observed data which is usually a sum of the true signal and one or more secondary fields that can be either noise, or some residual contaminating signal. Our formulae provide explicit quantification of the effect of the secondary field on the morphology and statistical nature of the true signal. As examples, we apply the formulae to determine how the presence of Gaussian noise can bias the morphological properties and statistical nature of Gaussian and non-Gaussian CMB temperature maps.

We present the design of a flexible quantum-chemical method development framework, which supports employing any type of basis function. This design has been implemented in the light-weight program package molsturm, yielding a basis-function-independent self-consistent field scheme. Versatile interfaces, making use of open standards like python, mediate the integration of molsturm with existing third-party packages. In this way both rapid extension of the present set of methods for electronic structure calculations as well as adding new basis function types can be readily achieved. This makes molsturm well-suitable for testing novel approaches for discretising the electronic wave function and allows comparing them to existing methods using the same software stack. This is illustrated by two examples, an implementation of coupled-cluster doubles as well as a gradient-free geometry optimisation, where in both cases, an arbitrary basis functions could be used. molsturm is open-source and can be obtained from https://molsturm.org.

As the demand to integrate Artificial Intelligence into high-stakes environments continues to grow, explaining the reasoning behind neural-network predictions has shifted from a theoretical curiosity to a strict operational requirement. Our work is motivated by the explanations of autoregressive neural predictions on dynamic physical fields, as in weather forecasting. Gradient-based feature attribution methods are widely used to explain the predictions on such data, in particular due to their scalability to high-dimensional inputs. It is also interesting to remark that gradient-based techniques such as SmoothGrad are now standard on images to robustify the explanations using pointwise averages of the attribution maps obtained from several noised inputs. Our goal is to efficiently adapt this aggregation strategy to dynamic physical fields. To do so, our first contribution is to identify a fundamental failure mode when averaging perturbed attribution maps on dynamic physical fields: stochastic input perturbations do not induce stationary amplitude noise in attribution maps, but instead cause a geometric displacement of the attributions. Consequently, pointwise averaging blurs these spatially misaligned features. To tackle this issue, we introduce WassersteinGrad, which extracts a geometric consensus of perturbed attribution maps by computing their entropic Wasserstein barycenter. The results, obtained on regional weather data and a meteorologist-validated neural model, demonstrate promising explainability properties of WassersteinGrad over gradient-based baselines across both single-step and autoregressive forecasting settings.

Cosmological first-order phase transitions can generate curvature perturbations through inhomogeneous quantum tunneling, as studied previously on superhorizon scales. In this work, we for the first time conduct three-dimensional lattice simulations that incorporate scalar metric perturbations and radiation perturbations, covering a range from bubble wall scales to super-horizon scales. We obtain the precise scalar perturbation power spectrum and the probability density function of energy density perturbations. Furthermore, we simulate the gravitational-wave energy spectra generated by each source during the first-order phase transition, including the scalar field itself, scalar metric perturbations, and the energy density and velocity perturbations of radiation. For gravitational waves, the contribution from other sources can exceed 1/3 of that from the scalar field at superhorizon scales. Additionally, we compare the effects of different values of the transition strength and rate on the results. This paper provides more accurate numerical results for research aimed at detecting or constraining first-order phase transitions via gravitational waves and curvature perturbations.

Diffusion models have achieved remarkable success in generative modeling, with their sampling procedures routinely modified to control generation and improve efficiency. These modifications introduce perturbations along the sampling trajectory, raising a central question: how do such perturbations affect generated output? To address this question, we develop a theoretical framework to investigate perturbation propagation, combining dynamical analysis of the sampling process with an information-theoretic characterization of output responses. Within this framework, we quantify perturbation strength using the Kullback--Leibler (KL) divergence between perturbed and reference trajectory distributions, termed as path cost, which is shown to bound, but do not determine, changes in the output distribution. Building on this analysis, we derive a response identity that connects the propagation and accumulation of local perturbations with the information captured by a selected feature mean, explaining why changes in the output distribution can remain undetected by its first-order response. We test our theoretical analysis through controlled interventions at equal path cost in pretrained diffusion models, revealing distinct patterns of output sensitivity across sampling stages and spatial frequencies. To assess whether our framework can diagnose perturbations arising from practical approximations, we apply it to cache-based acceleration and show that our propagation analysis reliably identifies sampling intervals where caching causes larger image errors.

We study resonance expansions and localised long-time dynamics for three-dimensional semiclassical Dirac operators. For smooth Hermitian matrix-valued perturbations which are analytic outside a compact set, we first obtain exponential cut-off resolvent bounds away from the resonance set and polynomial bounds in thin resonance-free rectangles adjacent to the real axis. Combining these estimates with a local Oc(h^{-3}) upper bound on the number of resonances, a pigeonhole selection of admissible contours, almost-analytic functional calculus, and a Cauchy--Green deformation, we derive resonance expansions for spectrally localised propagators. Positive-energy resonances contribute for large positive times, whereas negative-energy resonances contribute for large negative times. We then specialise to mass-type perturbations mbfβV(x) in a nontrapping energy window. Using the logarithmic resonance-free region established in our earlier work together with a quantitative FBI-transform/escape-function argument, we obtain a polynomial bound for the continued cut-off resolvent and deduce rapid local-energy decay. We subsequently refine this polynomial estimate by a finite-time propagation argument in the undistorted region. Introducing the maximal positive-sheet connection time T_χ associated with the spatial cutoff, we prove a geometric continued-resolvent estimate and, for every fixed M below the resonance-free depth constant, derive the explicit local-energy decay threshold T_N>T_χ+(N+1)/M. The same analysis gives a rigorous microlocal obstruction to a uniform [hlog(1/h)]^{-1} bound for the full distorted resolvent and identifies a finite-flight-time amplification mechanism for the sandwiched continued resolvent at logarithmic depth.

We study the scalar curvature of the Fisher information metric on the microscopic coupling-parameter manifold of lattice spin models at criticality. For a d-dimensional lattice with periodic boundary conditions and n = L^d sites, the Fisher manifold has m = d cdot n dimensions (one per bond), and we find |R(J_c)| sim n^{d_R} with d_R = (dν+ 2η)/(dν+ η), where ν and η are the correlation-length and anomalous-dimension critical exponents. For 2D Ising (ν= 1, η= 1/4), this predicts d_R = 10/9, confirmed by exact transfer-matrix computations (L = 6--9: d_R = 1.1115 pm 0.0002) and multi-seed MCMC through L = 24. For 3D Ising (ν= 0.630, η= 0.0363), the prediction d_R = 1.019 is consistent with MCMC on L^3 tori up to L = 10 (power-law fit: d_R = 1.040). For 2D Potts q = 3 (predicted 33/29 approx 1.138), FFT-MCMC through L = 40 shows d_eff oscillating non-monotonically around sim 1.20, consistent with O(1/(ln L)^2) logarithmic corrections. For q = 4 (predicted 22/19), effective exponents oscillate with strong logarithmic corrections. The Ricci decomposition identity R_3 = -R_1/2, R_4 = -R_2/2 holds to 5--6 digits for all models. This exponent is distinct from Ruppeiner thermodynamic curvature and reflects the collective geometry of the growing Fisher manifold. We provide falsification criteria and predictions for additional universality classes.

We prove that all excited states -sin(nx), ngeq2, of the De Gregorio equation on the torus are nonlinearly unstable in the sense of Hadamard. More precisely, perturbations arbitrarily small in H^2 leave a fixed H^1 neighborhood of the state. For every ngeq2, the linearized operator has a real eigenvalue λ_nin(0.56,0.6). To prove this, we transform the eigenvalue problem into a Fuchsian equation on the complex disk and obtain a matching condition for the eigenvalue. This condition is verified rigorously using interval arithmetic. The nonlinear instability follows from a bootstrap argument in the spirit of Guo, Hallstrom, and Spirn.

We study in detail a one-dimensional lattice model of a continuum, conserved field (mass) that is transferred deterministically between neighbouring random sites. The model falls in a wider class of lattice models capturing the joint effect of random advection and diffusion and encompassing as specific cases, some models studied in the literature, like the Kang-Redner, Kipnis-Marchioro-Presutti, Takayasu-Taguchi, etc. The motivation for our setup comes from a straightforward interpretation as advection of particles in one-dimensional turbulence, but it is also related to a problem of synchronization of dynamical systems driven by common noise. For finite lattices, we study both the coalescence of an initially spread field (interpreted as roughening), and the statistical steady-state properties. We distinguish two main size-dependent regimes, depending on the strength of the diffusion term and on the lattice size. Using numerical simulations and mean-field approach, we study the statistics of the field. For weak diffusion, we unveil a characteristic hierarchical structure of the field. We also connect the model and the iterated function systems concept.

Wasserstein gradient flow extends gradient descent to probability measures. Its Hessian-guided perturbed variant (PWGF) adds Gaussian perturbations to escape saddle points in nonconvex problems. We investigate when its approximation by finitely many interacting particles remains accurate over growing time horizons. Our analysis retains the curvature accumulated along the population-driven reference path: negative curvature can amplify approximation errors, while subsequent positive curvature can damp their influence. This captures favorable scenarios in which temporary instability is compatible with accurate tracking over growing horizons. Under regularity assumptions and a prescribed common perturbation schedule, we prove particle and objective-value tracking bounds on a high-probability event for reference paths satisfying explicit conditions on accumulated curvature. To handle state-dependent Gaussian jumps, we construct a population-first coupling that preserves the reference particles' conditional independence and reduces jump errors to covariance comparison. We verify the conditions in a variance-plus-cosine model, where curvature recovery yields a growing-horizon tracking guarantee. We also establish local attraction, transverse descent, and positive second variation in two regions of a regularized matrix-factorization model, motivating a positive-negative-positive curvature pattern.

Reciprocity is a fundamental symmetry present in many natural phenomena and engineered systems. Distinct situations where this symmetry is broken are typically grouped under the umbrella term "nonreciprocity", colloquially defined by: the action of A on B neq the action of B on A. In this review, we elucidate what nonreciprocity is by providing an introduction to its most salient classes: nonvariational dynamics, violations of Newton's third law, broken detailed balance, nonreciprocal responses and nonreciprocity of arbitrary linear operators. Next, we point out where to find these manifestations of non-reciprocity, from ensembles of particles with field mediated interactions to synthetic neural networks and open quantum systems. Given this breadth of contexts and the lack of an all-encompassing definition, it makes it all the more intriguing that some general conclusions can be gathered, when distinct definitions of nonreciprocity overlap. We explore what these universal consequences are with a special emphasis on collective phenomena that arise in nonreciprocal many-body systems. The topics covered include nonreciprocal phase transitions and non-normal amplification of noise and perturbations. We conclude with some open questions.

Bound states in the continuum (BIC) metasurfaces are typically described by geometry-specific parameters, hindering cross-geometry comparison, while ultranarrow qBIC features are easily diluted in full-spectrum learning. Here, 2015 samples from seven dielectric metasurface families are mapped to a shared reciprocal-lattice grid, where two frozen low-order Fourier channels capture resonance shifts with mean within-branch R^2 values of 0.871-0.999. Field-level analysis of two representative branches further confirms that these shifts are consistent with the Maxwell-Fourier perturbation picture. A five-channel K-space backbone models the broadband spectrum, while a local complex K-space expert parameterizes the qBIC resonance through a differentiable Fano layer. The expert reduces resonance-position mean absolute error (MAE) from 3.2 to 0.95 nm and the resonance-depth error by 14-fold on a geometry-blocked test set. The same coordinate supports spectrum-to-structure reconstruction.

This paper presents a JAX-Python implementation of the galaxy power spectrum up to one-loop order in the effective field theory of large-scale structure, based on both the Eulerian and Lagrangian perturbation theories. The code uses JAX to enable automatic differentiation with respect to parameters such as cosmology, galaxy bias, or counterterm coefficients. This facilitates applications such as parameter inference using the gradient of the posterior, e.g., Hamiltonian Monte Carlo sampling. The code can compute both the EPT and LPT power spectra in a few milliseconds on a GPU, after just-in-time compilation. We also identify the various sources of numerical errors associated with discretization, and design the numerical implementation to minimize them, achieving relative errors of order 0.01% at scales k lesssim 1, h, Mpc^{-1}, compared with brute-force numerical integration. Notably, this is the first auto-differentiable implementation of the one-loop galaxy power spectrum based on LPT. The natural resummation of the long-wavelength displacements in LPT further makes the code well suited for applications involving features in the power spectrum beyond the standard BAO feature, including primordial features. Our code, elf, is publicly available.

This paper presents a mathematical framework for optimizing drug delivery in cancer treatment using a nonlocal model of solid tumor growth. We present a coupled system of partial differential equations that incorporate long-range cellular interactions through integral terms and drug-induced cell death. The model accounts for spatial heterogeneity in both tumor cell density and drug concentration while capturing the complex dynamics of drug resistance development. We first establish the well-posedness of the coupled system by proving the existence and uniqueness of a solution under appropriate regularity conditions. The optimal control problem is then formulated to minimize tumor size while accounting for drug toxicity constraints. Using variational methods, we derive the necessary optimality conditions and characterize the optimal control through an adjoint system. Theoretical results can help to design effective chemotherapy schedules that balance treatment efficacy with adverse effects.

We derive the canonically normalized modes of a two-field inflationary system with arbitrary constant quadratic mixing and unequal sound speeds c_φ and c_σ for the curvature and isocurvature perturbations, respectively. A Laplace representation reduces the coupled dynamics to a second-order Heun equation and gives the exact late-time curvature power spectrum for arbitrary values of the mixing parameter and entropy mass. The sound-speed ratio r_c=c_σ/c_φ controls the separation between the two sound horizons. At fixed nonzero mixing and r_cll1, the power exhibits power-law enhancement, growth as ln^2(1/r_c), or bounded oscillations in ln r_c, depending on the mass and mixing. For r_cgg1, the correction to the unmixed spectrum vanishes as ln r_c/r_c^2 at fixed mass and mixing. Using the same normalized modes, we compute the tree-level bispectrum for three representative cubic interactions, with the mixing parameter treated exactly. For heavy entropy fields, unequal speeds modify the collider amplitude and phase while preserving the strict squeezed frequency set by the final entropy mass. The power-normalized amplitude can vary nonmonotonically with r_c, and a sound-speed hierarchy can delay the approach to this asymptotic regime.

We address effects of spin-orbit coupling (SOC), phenomenologically added to a two-component Bose-Einstein condensate composed of particles moving by Levy flights, in one- and two-dimensional (1D and 2D) settings. The corresponding system of coupled Gross-Pitaevskii equations includes fractional kinetic-energy operators, characterized by the Levy index, \alpha < 2 (the normal kinetic energy corresponds to \alpha = 2). The SOC terms, with strength \lambda, produce strong effects in the 2D case: they create families of stable solitons of the semi-vortex (SV) and mixed-mode (MM) types in the interval of 1 < \alpha < 2, where the supercritical collapse does not admit the existence of stable solitons in the absence of the SOC. At \lambda --> 0, amplitudes of these solitons vanish as (\lambda)^{1/(\alpha - 1)}.

Synchronization in one dimension displays generic scale invariance with universal properties previously observed in surface kinetic roughening and the wider context of the Kardar-Parisi-Zhang (KPZ) universality class. This has been established for phase oscillators and also for some limit-cycle oscillators, both in the presence of columnar (quenched) disorder and of time-dependent noise, by extensive numerical simulations, and has been analytically motivated by continuum approximations in the strong oscillator coupling limit. The robustness and the precise boundaries in parameter space for such critical behavior remain unclear, however, which may preclude further developments, including the extension of these results to higher dimensions and the experimental observation of nonequilibrium criticality in synchronizing (e.g.~electronic or chemical) oscillators. We here present complete numerical phase diagrams of one-dimensional synchronization, including saturation times and values, but, most importantly, also dynamical features giving insight into the gradual emergence of synchronous dynamics, based on systems of phase oscillators with either type of randomness. In the absence of synchronization, the dynamics evolves as expected for random deposition (for time-dependent noise) or linear growth (for columnar disorder), while a crossover from Edwards-Wilkinson to Kardar-Parisi-Zhang behavior (with the corresponding type of randomness) is observed as the randomness strength, or the nonoddity of the coupling among oscillators, is increased in the synchronous region -- their combined effect being partially captured by the so-called KPZ coupling. The distortion of scaling due to phase slips near the desynchronization boundary, a feature that is likely to play a role in experimental contexts, is also discussed.

In the quantum inverse scattering method, the sine-Gordon model is solved on a lattice, and its continuum and infinite-volume limits become uniform only after the length of the box is rescaled. We show that this rescaling, supplemented by an on-shell condition, defines a renormalization scheme. The whole dependence on the cut-off is absorbed into a factor Z_L multiplying the length of the box, with an exponent fixed by the scaling dimension of the vertex operator; neither the field nor the coupling β is renormalized, no subtraction scale is introduced, and the mass parameter receives a finite renormalization, fixed by requiring that the lightest breather has the mass of the boson in the linearized theory. The soliton and breather masses follow from the eigenvalues of the monodromy operator as functions of parameters that do not run, and reduce to the classical and semiclassical results as βrightarrow0. In particular, the mass ratios are produced directly from the regularized construction, while the relation between the lattice parameters and the physical scale is absorbed into Z_L and never needs to be computed. The scheme is a reparameterization of the theory which makes explicit the interplay between integrability and renormalization. We compare it with Coleman's normal ordering and with conformal perturbation theory, and we argue that it extends to ultralocal integrable theories with a massive spectrum, possibly including asymptotically free models that admit an ultralocal lattice regularization.

In heterogeneous networks of coupled oscillators, phase frustration typically prevents the emergence of synchronization in the Sakaguchi--Kuramoto (SK) model. In this study, we propose an analytical framework to overcome this barrier and induce complete synchronization at a specified small coupling value in oscillators governed by phase-frustrated bi-harmonic coupling. We derive an optimal set of natural frequencies that is robust against added noise and correlated with the network degree heterogeneity, along with the parameters involved in the bi-harmonic coupling function that lead to complete synchronization (r = 1). In addition, we find complete synchronization transitions accompanied by hysteresis in scale-free networks, indicating a first-order (discontinuous) phase transition, whereas Erdős--Rényi networks exhibit complete synchronization through a second-order (continuous) phase transition. Furthermore, we use the mean-field approximation in the presence of optimal frequencies to determine the critical coupling strength associated with the synchronization transition in the pure second-harmonic Sakaguchi--Kuramoto model. Here, the obtained optimal natural frequencies scale linearly with the node degree, and the critical coupling strength for the onset of synchronization is derived analytically from the self-consistent equations. In this specific regime, we observe a perfectly ordered two-cluster synchronized state. These findings remain robust for higher-order harmonic coupling schemes, as well as across a diverse range of synthetic and empirical networks, including scale-free, Erdős--Rényi, Zachary Karate Club, and the C.~elegans neural network, demonstrating their general applicability.

Electron-electron (e-e) and electron-phonon (e-ph) interactions are challenging to describe in correlated materials, where their joint effects govern unconventional transport, phase transitions, and superconductivity. Here we combine first-principles e-ph calculations with dynamical mean field theory (DMFT) as a step toward a unified description of e-e and e-ph interactions in correlated materials. We compute the e-ph self-energy using the DMFT electron Green's function, and combine it with the e-e self-energy from DMFT to obtain a Green's function including both interactions. This approach captures the renormalization of quasiparticle dispersion and spectral weight on equal footing. Using our method, we study the e-ph and e-e contributions to the resistivity and spectral functions in the correlated metal Sr_2RuO_4. In this material, our results show that e-e interactions dominate transport and spectral broadening in the temperature range we study (50-310~K), while e-ph interactions are relatively weak and account for only sim10\% of the experimental resistivity. We also compute effective scattering rates, and find that the e-e interactions result in scattering several times greater than the Planckian value k_BT, whereas e-ph interactions are associated with scattering rates lower than k_BT. Our work demonstrates a first-principles approach to combine electron dynamical correlations from DMFT with e-ph interactions in a consistent way, advancing quantitative studies of correlated materials.

External potentials break the translational invariance of nonlinear Schrödinger (NLS) equations and generally convert a continuous family of standing wave solutions into isolated pinned states. We study this mechanism for the prototypical case of a kink in the NLS equation with competing focusing cubic and defocusing quintic nonlinearities. The Lyapunov--Schmidt reduction method is used to prove that the location s_0 of the pinned kinks is selected near roots of an effective potential V_{rm eff}(s). We then determine how the translational zero eigenvalue of the Jacobian operator splits under the perturbation and prove that the sign of V_{rm eff}'(s_0) distinguishes eigendirections of positive and negative energy. We further show that if the Jacobian operator admits a negative eigenvalue, then the stability problem contains a real unstable eigenvalue. The derivation of the asymptotic expansion for the unstable eigenvalue is nonstandard because the zero eigenvalue is embedded in the continuous spectrum of the linearized operator. Finally, we show that the persistence of kinks lacks parity symmetry even if the external potential is odd. Numerical continuation, spectral computations with domains adapted to the slowly decaying eigenfunctions, and direct dynamical simulations of the time evolution corroborate the analytical predictions for different representative examples.

The Sherrington-Kirkpatrick spin-glass model used the replica symmetry method to find the phase transition of the system. In 1979-1980, Parisi proposed a solution based on replica symmetry breaking (RSB), which allowed him to identify the underlying phases of complex systems such as spin-glasses. Regardless of the method used for detection, the intrinsic phase of a system exists whether or not replicas are considered. We introduce a single replica method of spin-glass phase detection using the field's variation experienced by each spin in a system configuration. This method focuses on a single replica with quenched random couplings. Each spin inevitably observes a different field from the others. Our results show that the mean and variance of fields named "Spontaneous Configurational Field" experienced by spins are suitable indicators to explore different ferromagnetic, paramagnetic, and mixed phases. To classify different phases of the system with defined indicators we have developed an algorithm based on machine learning to analyze the desired samples.

Recently, sophisticated deep learning-based approaches have been developed for generating efficient initial guesses to accelerate the convergence of density functional theory (DFT) calculations. While the actual initial guesses are often density matrices (DM), quantities that can convert into density matrices also qualify as alternative forms of initial guesses. Hence, existing works mostly rely on the prediction of the Hamiltonian matrix for obtaining high-quality initial guesses. However, the Hamiltonian matrix is both numerically difficult to predict and intrinsically non-transferable, hindering the application of such models in real scenarios. In light of this, we propose a method that constructs DFT initial guesses by predicting the electron density in a compact auxiliary basis representation using E(3)-equivariant neural networks. Trained on small molecules with up to 20 atoms, our model is able to achieve an average 33.3% self-consistent field (SCF) step reduction on systems up to 60 atoms, substantially outperforming Hamiltonian-centric and DM-centric models. Critically, this acceleration remains nearly constant with increasing system sizes and exhibits strong transferring behaviors across orbital basis sets and exchange-correlation (XC) functionals. To the best of our knowledge, this work represents the first and robust candidate for a universally transferable DFT acceleration method. We are also releasing the SCFbench dataset and its accompanying code to facilitate future research in this promising direction.

Quantum many-body methods provide a systematic route to computing electronic properties of molecules and materials, but high computational costs restrict their use in large-scale applications. Due to the complexity in many-electron wavefunctions, machine learning models capable of capturing fundamental many-body physics remain limited. Here, we present a deep learning framework targeting the many-body Green's function, which unifies predictions of electronic properties in ground and excited states, while offering physical insights into many-electron correlation effects. By learning the GW or coupled-cluster self-energy from mean-field features, our graph neural network achieves competitive performance in predicting one- and two-particle excitations and quantities derivable from one-particle density matrix. We demonstrate its high data efficiency and good transferability across chemical species, system sizes, molecular conformations, and correlation strengths in bond breaking, through multiple molecular and nanomaterial benchmarks. This work opens up opportunities for utilizing machine learning to solve many-electron problems.

Non-Abelian gauge theories above four dimensions may admit an interacting ultraviolet fixed point through the competition between canonical scaling and gauge-field antiscreening. Using the four-loop mathrm{MS} beta function continued to D=4+2ε, we determine the largest dimension D_{pt}=4+2ε_{pt} below which successive loop corrections to the fixed point remain hierarchically ordered under a specified ratio criterion, and map D_{pt} over color and flavor numbers for fermions in the fundamental representation of SU(N). At D=5, we construct rational anomalous dimensions with a fixed, pole-regularized denominator inspired by the functional renormalization group (fRG). Matching to the mathrm{MS} series through one, two, and three loops produces progressively smaller shifts in the critical flavor number and coupling at the ultraviolet--infrared merger (the point where the infrared and ultraviolet fixed points coincide), yielding N_f^{cr}simeq 2.09 , N at large N in the three-loop construction. This low-order stabilization, together with qualitative evidence from fRG flows including higher gauge operators, suggests a potential merger scenario that bounds the candidate asymptotically safe region in flavor number. The resulting color--flavor map provides guidance for five-dimensional model building by displaying both the baseline perturbative-control boundary and the candidate three-loop merger boundary. Four-loop matching, however, retains an interacting ultraviolet fixed point beyond the three-loop merger boundary, with no merger found for integer 2le Nle15 and 0le N_f/Nle11/2. The sensitivity of the fixed-point structure to higher-order terms leaves both scenarios open, highlighting fixed-point annihilation as a potential constraint on five-dimensional asymptotic safety.

A cumulative variational framework for solid deformation is proposed. Its central organizing principle is the recursive combination of three structural components of one material body: a compatible Cosserat component, a distributed-incompatibility component, and a defect-source component. At any prescribed external condition these components constitute a combined material state. They are governed under common physical boundary and initial conditions and are coupled through one cumulative energy and the associated field equations. They are not separate boundary-value problems and need not appear in a prescribed temporal sequence. The cumulative character of the framework concerns the response of the combined state to variation of externally prescribed conditions. For the special case of an initially perfect body, loss of stability may produce successive branches with defect and then source participation. Such a sequence is a bifurcation property of the selected initial state and constitutive energy, rather than a defining hierarchy of the framework. A one-dimensional specialization illustrates structural bifurcation, residual deformation and residual stress produced by retained structure, dependence on the initial combined state, directional memory under reverse loading, parametric cumulative hysteresis, and changes of observable tangent stiffness associated with structural stabilization. A spatial extension introduces defect and source gradient terms and yields a size-dependent structural stability operator. For the stable quartic energy considered, the gradient terms regularize nonuniform perturbations but do not by themselves generate a finite-wavelength localization instability on an already stable three-component branch. The examples thereby distinguish consequences of the cumulative structure and energy from phenomena requiring additional constitutive evolution laws.

It has been proposed that the superconducting transition temperature T_{c} of an unconventional superconductor with a large pairing scale but strong phase fluctuations can be enhanced by coupling it to a metal. However, the general efficacy of this approach across different parameter regimes remains an open question. Using the dynamical cluster approximation, we study this question in a system composed of an attractive Hubbard layer in the intermediate coupling regime, where the magnitude of the attractive Coulomb interaction |U| is slightly larger than the bandwidth W, hybridized with a noninteracting metallic layer. We find that while the superconducting transition becomes more mean-field-like with increasing interlayer hopping, the superconducting transition temperature T_{c} exhibits a nonmonotonic dependence on the strength of the hybridization t_{perp}. This behavior arises from a reduction of the effective pairing interaction in the correlated layer that out-competes the growth in the intrinsic pair-field susceptibility induced by the coupling to the metallic layer. We find that the largest T_{c} inferred here for the composite system is below the maximum value currently estimated for the isolated negative-U Hubbard model.

Motivated by variational inference methods, we propose a zeroth-order algorithm for solving optimization problems in the space of Gaussian probability measures. The algorithm is based on an interacting system of Gaussian particles that stochastically explore the search space and self-organize around global minima via a consensus-based optimization (CBO) mechanism. Its construction relies on the Linearized Bures-Wasserstein (LBW) space, a novel parametrization of Gaussian measures we introduce for efficient computations. LBW is inspired by linearized optimal transport and preserves key geometric features while enabling computational tractability. We establish well-posedness and study the convergence properties of the particle dynamics via a mean-field approximation. Numerical experiments on variational inference tasks demonstrate the algorithm's robustness and superior performance with respect to deterministic gradient-based method in presence of low-dimensional non log-concave targets.

Weak perturbations of equal size can produce terminal Wasserstein errors of different orders. For Gaussian-smoothed infinitely divisible laws, we differentiate distribution functions with respect to variance-weighted Lévy characteristics, including distributional directions generated by moving atoms. We obtain first- and second-order expansions uniform over Lipschitz tests. Gaussian analyticity identifies the signed second coefficient of the Wasserstein-1 distance when the first response is nonzero. When it vanishes, a finite second displacement moment yields a quadratic response, strictly positive for nonzero displacement dispersion. For local balanced remeshing, the error is comparable to the grid-alignment variance, giving sharp quadratic grid rates for compactly supported densities and nonaligned atomic sequences. We derive metric speed and length along admissible non-atomic curves and a response-based linear program with a certified oracle gap and consistent quadrature. We also establish the sharp vanishing-smoothing transition and a multivariate second-order expansion. The Supplement treats state-dependent responses and further stability estimates.

We investigate detailed properties of imaginary rotating matter with gluons and quarks at high temperature. Previously, we showed that imaginary rotation induces perturbative confinement of gluons at the rotation center. We perturbatively calculate the Polyakov loop potential and find inhomogeneous confinement above a certain threshold of imaginary angular velocity. We also evaluate the quark contribution to the Polyakov loop potential and confirm that spontaneous chiral symmetry breaking occurs in the perturbatively confined phase.

In this paper, we prove the existence of stationary pulse solutions for a bulk-surface reaction-diffusion system modeling cell polarization in two-dimensional domains. Using a singular perturbation method, we construct pulse solutions whose centers lie near non-degenerate critical points of a geometry-dependent potential expressed in terms of the Neumann Green's function, as formally predicted in watanabe2026. The main analytical difficulty arises from the half-Laplacian induced by the logarithmic singularity of the Green's function, resulting in algebraically rather than exponentially decaying inner solutions. Our analysis may also serve as a useful guide for applying singular perturbation methods to other bulk-surface type systems.

We construct Feynman rules for Lindblad master equations in the operator language of quantum optics: a fixed algebra of elementary operator moves and closed-form propagators for perturbation theory about an exactly solvable, in most cases Gaussian, generator. The expansion separates into a kinematic part (the shift algebra on the Wick-ordered eigenoperators O_{mn}=:(c^dagger)^m c^n:, from which the vertex table for a specified interaction is assembled) and a dynamical part that enters only through the resolvent of the unperturbed generator, diagonal and additive for any stable, diagonalizable Gaussian L_0, including thermal and squeezed reservoirs and correlated decay, and equally available for a two-level emitter, driven or undriven. In the driven Kerr cavity the loop expansion is the semiclassical expansion and the series is asymptotic. In a strongly driven two-level atom, dressed lines replace a series of finite radius by one accurate deep into saturation, one line per Mollow component. For Kerr rings and chains the cost is polynomial in the number of sites at fixed perturbative order. On a three-site ring the diagrams recover the non-Gaussian part of the three-photon correlation that the Gaussian cumulant closure lacks; carried to tenth order they give the smallest g^{(3)} error of the methods compared for Uleq0.25κ at a cost below that of a fourth-order closure, and third- and fourth-order closures are more accurate at moderate coupling. The same rules, extended to the counting-field-tilted generator, give the photon-counting cumulants of a disordered eight-site chain beyond direct diagonalization; quantum-jump trajectories at three couplings agree with them to within 1.6 standard errors, within one at the strongest coupling, where they place the third cumulant six standard errors above the Gaussian value.

Learning PDE dynamics with neural solvers can significantly improve wall-clock efficiency and accuracy compared with classical numerical solvers. In recent years, foundation models for PDEs have largely adopted multi-scale windowed self-attention, with the scOT backbone in Poseidon serving as a representative example. However, because of their locality, truly globally consistent spectral coupling can only be propagated gradually through deep stacking and window shifting. This weakens global coupling and leads to error accumulation and drift during closed-loop rollouts. To address this, we propose DRIFT-Net. It employs a dual-branch design comprising a spectral branch and an image branch. The spectral branch is responsible for capturing global, large-scale low-frequency information, whereas the image branch focuses on local details and nonstationary structures. Specifically, we first perform controlled, lightweight mixing within the low-frequency range. Then we fuse the spectral and image paths at each layer via bandwise weighting, which avoids the width inflation and training instability caused by naive concatenation. The fused result is transformed back into the spatial domain and added to the image branch, thereby preserving both global structure and high-frequency details across scales. Compared with strong attention-based baselines, DRIFT-Net achieves lower error and higher throughput with fewer parameters under identical training settings and budget. On Navier--Stokes benchmarks, the relative L_{1} error is reduced by 7\%--54\%, the parameter count decreases by about 15\%, and the throughput remains higher than scOT. Ablation studies and theoretical analyses further demonstrate the stability and effectiveness of this design. The code is available at https://github.com/cruiseresearchgroup/DRIFT-Net.

We study the energy-energy correlator (EEC) in heavy states of four-dimensional mathcal N=4 super Yang--Mills theory in the large-charge 't Hooft limit, in which the dimension Δ of the heavy operator (or, equivalently, its R-charge) is taken to infinity with the effective coupling λ_Q propto g_{YM}^2Δ held fixed. The relevant heavy-heavy-light-light four-point correlators are known to all orders in λ_Q in this limit. For certain classes of operators, the perturbative series can be resummed to obtain exact finite-coupling expressions. We use these results to determine the corresponding EEC, whose dynamical part can be extracted from a double discontinuity of the four-point correlator. We determine the EEC at finite effective coupling and study its physical behavior as a function of λ_Q and the angular separation between the detectors, both at generic angles and in the collinear and back-to-back limits.

We present a new derivation of the exact compact oscillon in the signum-Gordon model using Fourier methods. This approach decomposes the oscillon into an infinite, uniformly convergent series of discrete modes consisting of a fundamental frequency and its odd higher harmonics, in contrast to standard analytic potentials, where the corresponding infinite perturbative series fails to converge. Crucially, our oscillon evades the non-existence theorem for spatially localized, small-amplitude periodic states. We investigate the accuracy of truncating the Fourier series and find that the primary mode alone provides a remarkably accurate approximation of the exact solution, with agreement improving significantly when the first two non-vanishing harmonic modes are included. Furthermore, we generalize this framework to a swaying compact oscillon with a periodically moving boundary. We show that describing such an oscillon requires even-order modes, whose coupling with the odd source terms induces a dynamic modulation that generates the swaying motion, even though the spatial Fourier profiles themselves are time-independent.

Let G be a Lie group equipped with commuting left and right linear representations on a vector space V, and let GJoin V be the associated centered semidirect product. We develop a reduction scheme for covariant field theories on principal bundles with structure group GJoin V from both Lagrangian and Hamiltonian perspectives, obtaining the reduced Euler-Poincaré and Lie-Poisson field equations decomposed into their mathfrak g- and V-components, where mathfrak g is the Lie algebra of G. We also derive the reduced multisymplectic form formula, as well as the Noether and energy-momentum balance laws. Our reduction results are compared with those for principal bundles with standard semidirect-product structure groups, and the role of the centered variables is investigated: they retain the original two-sided geometric data and separate the left and right contributions via the heart and diamond operators. The framework is then applied to a two-sided matrix microstructural model and to the second-order jet group on mathbb R^r, G_r^2. For the matrix model, the conjugation representation decomposes Mat(3) into scalar, vector, and symmetric-traceless sectors, clarifying its precise relation to director and alignment-tensor variables without identifying it with standard nematodynamics. For the one-dimensional jet group on a (1+1)-dimensional Minkowski base, we obtain a semilinear symmetric-hyperbolic system and an exact traveling conversion front with explicit energy-momentum exchange between the linear- and quadratic-jet sectors. Its hyperbolic-target interpretation yields a conserved positive energy for the linearized perturbations. A nonlinear numerical experiment illustrates the reduced evolution and reconstruction of the group-valued field, with consistency assessed through mesh refinement and an independent wave-map computation.

Algorithms based on normalizing flows are emerging as promising machine learning approaches to sampling complicated probability distributions in a way that can be made asymptotically exact. In the context of lattice field theory, proof-of-principle studies have demonstrated the effectiveness of this approach for scalar theories, gauge theories, and statistical systems. This work develops approaches that enable flow-based sampling of theories with dynamical fermions, which is necessary for the technique to be applied to lattice field theory studies of the Standard Model of particle physics and many condensed matter systems. As a practical demonstration, these methods are applied to the sampling of field configurations for a two-dimensional theory of massless staggered fermions coupled to a scalar field via a Yukawa interaction.

The asymptotic safety conjecture is examined for quantum gravity in four dimensions. Using the renormalisation group, we find evidence for an interacting UV fixed point for polynomial actions up to the 34th power in the Ricci scalar. The extrapolation to infinite polynomial order is given, and the self-consistency of the fixed point is established using a bootstrap test. All details of our analysis are provided. We also clarify further aspects such as stability, convergence, the role of boundary conditions, and a partial degeneracy of eigenvalues. Within this setting we find strong support for the conjecture.

Diffusion models often yield highly curved trajectories and noisy score targets due to an uninformative, memoryless forward process that induces independent data-noise coupling. We propose Adjoint Schrödinger Bridge Matching (ASBM), a generative modeling framework that recovers optimal trajectories in high dimensions via two stages. First, we view the Schrödinger Bridge (SB) forward dynamic as a coupling construction problem and learn it through a data-to-energy sampling perspective that transports data to an energy-defined prior. Then, we learn the backward generative dynamic with a simple matching loss supervised by the induced optimal coupling. By operating in a non-memoryless regime, ASBM produces significantly straighter and more efficient sampling paths. Compared to prior works, ASBM scales to high-dimensional data with notably improved stability and efficiency. Extensive experiments on image generation show that ASBM improves fidelity with fewer sampling steps. We further showcase the effectiveness of our optimal trajectory via distillation to a one-step generator.

Systems of interacting objects often evolve under the influence of field effects that govern their dynamics, yet previous works have abstracted away from such effects, and assume that systems evolve in a vacuum. In this work, we focus on discovering these fields, and infer them from the observed dynamics alone, without directly observing them. We theorize the presence of latent force fields, and propose neural fields to learn them. Since the observed dynamics constitute the net effect of local object interactions and global field effects, recently popularized equivariant networks are inapplicable, as they fail to capture global information. To address this, we propose to disentangle local object interactions -- which are SE(n) equivariant and depend on relative states -- from external global field effects -- which depend on absolute states. We model interactions with equivariant graph networks, and combine them with neural fields in a novel graph network that integrates field forces. Our experiments show that we can accurately discover the underlying fields in charged particles settings, traffic scenes, and gravitational n-body problems, and effectively use them to learn the system and forecast future trajectories.