arXiv subjects

Markus Kraft

Publications and source records attributed to Markus Kraft.

10 recordsLinked to original sources

arXiv2026

Ontology-to-tools compilation for executable semantic constraint enforcement in LLM agents

We introduce ontology-to-tools compilation as a proof-of-principle mechanism for coupling large language models (LLMs) with formal domain knowledge. Within The World Avatar (TWA), ontological specifications are compiled into executable tool interfaces that LLM-based agents must use to create and modify knowledge graph instances, enforcing semantic constraints during generation rather than through post-hoc validation. Extending TWA's semantic agent composition framework, the Model Context Protocol (MCP) and associated agents are integral components of the knowledge graph ecosystem, enabling structured interaction between generative models, symbolic constraints, and external resources. An agent-based workflow translates ontologies into ontology-aware tools and iteratively applies them to extract, validate, and repair structured knowledge from unstructured scientific text. Using metal-organic polyhedra synthesis literature as an illustrative case, we show how executable ontological semantics can guide LLM behaviour and reduce manual schema and prompt engineering, establishing a general paradigm for embedding formal knowledge into generative systems.

cs.AI↗

arXiv2026

Random matrix theory universality of current operators in spin-$S$ Heisenberg chains

Quantum chaotic systems exhibit certain universal statistical properties that closely resemble predictions from random matrix theory (RMT). With respect to observables, it has recently been conjectured that, when truncated to a sufficiently narrow energy window, their statistical properties can be described by an unitarily invariant ensemble, and testable criteria have been introduced, which are based on the scaling behavior of free cumulants. In this paper, we investigate the conjecture numerically in translationally invariant Heisenberg spin chains with spin quantum number $S =\frac{1}{2},1,\frac{3}{2}$. Combining a quantum-typicality-based numerical method with the exploitation of the system's symmetries, we study the spin current operator and find clear evidence of consistency with the proposed criteria in chaotic cases. Our findings further support the conjecture of the existence of RMT universality as manifest in the observable properties in quantum chaotic systems.

cond-mat.stat-mech↗

arXiv2025

Fate of diffusion under integrability breaking of classical integrable magnets

Diffusive transport is a ubiquitous phenomenon, yet the microscopic origin of diffusion in interacting physical systems remains a challenging question, irrespective of whether quantum effects are dominant or not. In this work, we study infinite temperature spin diffusion in a classical integrable, space-time discrete version of anisotropic Landau-Lifshitz magnet in the easy-axis regime, subjected to integrability-breaking perturbations. Our numerical results based on large-scale simulations reveal i) a sharp change in the spin diffusion constant as a function of perturbation strength in the thermodynamic limit and ii) a crossover from non-Gaussian to Gaussian statistics of magnetization transfer reflected in higher order cumulants under integrability breaking. Both our observations hint to the presence of non-trivial diffusion mechanism inherent to integrable systems.

cond-mat.stat-mech↗

arXiv2025

Quantum typicality approach to energy flow between two spin-chain domains at different temperatures

We discuss a quantum typicality approach to examine systems composed of two subsystems at different temperatures. While dynamical quantum typicality is usually used to simulate high-temperature dynamics, we also investigate low-temperature dynamics using the method. To test our method, we investigate the energy current between subsystems at different temperatures in various paradigmatic spin-1/2 chains, specifically the XX chain, the critical transverse-field Ising chain, and the XXZ chain. We compare our numerics to existing analytical results and find a convincing agreement for the energy current in the steady state for all considered models and temperatures.

cond-mat.stat-mech↗

arXiv2025

Boundary-driven magnetization transport in the spin-$1/2$ XXZ chain: Role of the system-bath coupling strength and timescales

Understanding the transport properties of quantum many-body systems is a central challenge in condensed matter and statistical physics. Theoretical studies usually rely on two main approaches: Dynamics of linear-response functions in closed systems and boundary-driven dynamics governed by Markovian master equations for open systems. While the equivalence of their dynamical behavior has been explored in recent studies, a systematic comparison of the transport coefficients obtained from these two classes of approaches remains a largely open question. Here, we address this gap by comparing and contrasting the dc diffusion constant $\mathcal{D}_{\text{dc}}$ according to the two approaches, focusing on the specific example of magnetization transport in the spin-$1/2$ XXZ chain. Using exact numerical simulations for finite system sizes, we find (i) a clear mismatch between the two $\mathcal{D}_{\text{dc}}$ and (ii) a strong dependence of $\mathcal{D}_{\text{dc}}$ on the system-bath coupling strength for the open system, where neither (i) nor (ii) tend to vanish in the thermodynamic limit. These findings suggest limitations of the open-system approach to transport coefficients. To gain insight into the origin of (i) and (ii), we go beyond $\mathcal{D}_{\text{dc}}$ and analyze the full time dependence of the diffusion coefficient $D(t)$ in the open system. In this way, we find that both (i) and (ii) vanish up to a finite time scale. While this time scale gradually increases with system size and tends to be macroscopic in the thermodynamic limit, this increase is still slow compared to the increase of the time to reach the steady state, where (i) and (ii) do not vanish. This observation can be seen as a wrong, yet unavoidable order of limits of long times first and large system sizes afterwards.

cond-mat.stat-mech↗

arXiv2025

Nontrivial damping of magnetization currents in perturbed spin chains

Since perturbations are omnipresent in physics, understanding their impact on the dynamics of quantum many-body systems is a vitally important but notoriously difficult question. On the one hand, random-matrix and typicality arguments suggest a rather simple damping in the overwhelming majority of cases, e.g., exponential damping according to Fermi's Golden Rule. On the other hand, counterexamples are known to exist, and it remains unclear how frequent and under which conditions such counterexamples appear. In our work, we consider the spin-1/2 XXZ chain as a paradigmatic example of a quantum many-body system and study the dynamics of the magnetization current in the easy-axis regime. Using numerical simulations based on dynamical quantum typicality, we show that the standard autocorrelation function is damped in a nontrivial way and that only a modified version of this function is damped in a simple manner. Employing projection-operator techniques in addition, we demonstrate that both, the nontrivial and simple damping relation can be understood on perturbative grounds. Our results are in agreement with earlier findings for the particle current in the Hubbard chain.

cond-mat.stat-mech↗

arXiv2024

Scaling of diffusion constants in perturbed easy-axis Heisenberg spin chains

Understanding the physics of the integrable spin-1/2 XXZ chain has witnessed substantial progress, due to the development and application of sophisticated analytical and numerical techniques. In particular, infinite-temperature magnetization transport has turned out to range from ballistic, over superdiffusive, to diffusive behavior in different parameter regimes of the anisotropy. Since integrability is rather the exception than the rule, a crucial question is the change of transport under integrability-breaking perturbations. This question includes the stability of superdiffusion at the isotropic point and the change of diffusion constants in the easy-axis regime. In our work, we study this change of diffusion constants by a variety of methods and cover both, linear response theory in the closed system and the Lindblad equation in the open system, where we throughout focus on periodic boundary conditions. In the closed system, we compare results from the recursion method to calculations for finite systems and find evidence for a continuous change of diffusion constants over the full range of perturbation strengths. In the open system weakly coupled to baths, we find diffusion constants in quantitative agreement with the ones in the closed system in a range of nonweak perturbations, but disagreement in the limit of weak perturbations. Using a simple model in this limit, we point out the possibility of a diverging diffusion constant in such an open system.

cond-mat.stat-mech↗

arXiv2024

Lindblad quantum dynamics from correlation functions of classical spin chains

The Lindblad quantum master equation is one of the central approaches to the physics of open quantum systems. In particular, boundary driving enables the study of transport, where a steady state emerges in the long-time limit, which features a constant current and a characteristic density profile. While the Lindblad equation complements other approaches to transport in closed quantum systems, it has become clear that a connection between closed and open systems exists in certain cases. Here, we build on this connection for magnetization transport in the spin-1/2 XXZ chain with and without integrability-breaking perturbations. Specifically, we study the question whether the time evolution of the open quantum system can be described on the basis of classical correlation functions, as generated by the Hamiltonian equations of motion for real vectors. By comparing to exact numerical simulations of the Lindblad equation, we find a good accuracy of such a description for a range of model parameters, which is consistent with previous studies on closed systems. While this agreement is an interesting physical observation, it also suggests that classical mechanics can be used to solve the Lindblad equation for comparatively large system sizes, which lie outside the possibilities of a quantum mechanical treatment. We also point out counterexamples and limitations for the quantitative extraction of transport coefficients. Remarkably, our classical approach to large open systems allows to detect superdiffusion at the isotropic point.

cond-mat.stat-mech↗

arXiv2024

Lindblad dynamics from spatio-temporal correlation functions in nonintegrable spin-1/2 chains with different boundary conditions

We investigate the Lindblad equation in the context of boundary-driven magnetization transport in spin-$1/2$ chains. Our central question is whether the nonequilibrium steady state of the open system, including its buildup in time, can be described on the basis of the dynamics in the closed system. To this end, we rely on a previous work [Phys. Rev. B 108, L201119 (2023)], where a description in terms of spatio-temporal correlation functions has been suggested in the case of weak driving and small system-bath coupling. Because this work has focused on integrable systems and periodic boundary conditions, we here extend the analysis in three directions: We (i) consider nonintegrable systems, (ii) take into account open boundary conditions and other bath-coupling geometries, and (iii) provide a comparison to time-evolving block decimation. While we find that nonintegrability plays a minor role, the choice of the specific boundary conditions can be crucial, due to potentially nondecaying edge modes. Our large-scale numerical simulations suggest that a description based on closed-system correlation functions is an useful alternative to already existing state-of-the-art approaches.

cond-mat.stat-mech↗

arXiv2009

Coupling algorithm for calculating sensitivities of Smoluchowski's coagulation equation

In this paper, two new stochastic algorithms for calculating parametric derivatives of the solution to the Smoluchowski coagulation equation are presented. It is assumed that the coagulation kernel is dependent on these parameters. The new algorithms (called `Single' and `Double') work by coupling two Marcus-Lushnikov processes in such a way as to reduce the difference between their trajectories, thereby significantly reducing the variance of central difference estimators of the parametric derivatives. In the numerical results, the algorithms are shown have have a O(1/N) order of convergence as expected, where N is the initial number of particles. It was also found that the Single and Double algorithms provide much smaller variances. Furthermore, a method for establishing `efficiency' is considered, which takes into account the variances as well as CPU run times, and the `Double' is significantly more `efficient' compared to the `Independent' algorithm in most cases.

math.PR↗