AI for Science

Equivariant network architectures are a well-established tool for predicting invariant or equivariant quantities. However, almost all learning problems considered in this context feature a global symmetry, i.e. each point of the underlying space is transformed with the same group element, as opposed to a local ``gauge'' symmetry, where each point is transformed with a different group element, exponentially enlarging the size of the symmetry group. Gauge equivariant networks have so far mainly been applied to problems in quantum chromodynamics. Here, we introduce a novel application domain for gauge-equivariant networks in the theory of topological condensed matter physics. We use gauge equivariant networks to predict topological invariants (Chern numbers) of multiband topological insulators. The gauge symmetry of the network guarantees that the predicted quantity is a topological invariant. We introduce a novel gauge equivariant normalization layer to stabilize the training and prove a universal approximation theorem for our setup. We train on samples with trivial Chern number only but show that our models generalize to samples with non-trivial Chern number. We provide various ablations of our setup. Our code is available at https://github.com/sitronsea/GENet/tree/main.

Uncovering the true informational architecture of real-world complex systems requires disentangling how their components uniquely store, redundantly share, and synergistically integrate information over time. Integrated Information Decomposition ($Φ$ID) is a framework for decomposing the information dynamics of multivariate systems into sixteen non-overlapping atoms that characterize redundant, unique, and synergistic modes of information storage, transfer, and integration. Existing methods to compute $Φ$ID are restricted to Gaussian or discrete systems, preventing its application to continuous non-Gaussian dynamical systems. We address this limitation by proposing DIPHINE (Diffusion-based $Φ$-ID Neural Estimator), the first neural estimator that leverages score-based diffusion models to jointly estimate all the mutual information terms required by $Φ$ID from a single amortized network, recovering the sixteen atoms through Möbius inversion. We provide a theoretical analysis of error propagation through the inversion, showing that the Jacobian of the mapping from mutual informations to atoms is integer-valued and that the synergy-to-synergy atom is provably the hardest to estimate. We demonstrate accurate recovery of ground-truth atoms on synthetic benchmarks, superior performance compared to established mutual information estimators, and the ability to extract physiologically interpretable information-dynamic structure on an application involving real data without any distributional assumptions.

Time-dependent partial differential equations (PDEs) arise in many engineering systems, including thermo-fluid applications. Classical numerical simulations of such systems can become computationally expensive for long-time dynamics because they typically require sequential time integration with time steps constrained by stability, accuracy, or nonlinear solvers. Although scientific machine learning provides an alternative for approximating PDE solutions, standard neural network approximations often degrade when extrapolated beyond the training time interval. In this work, we propose a steady-state-informed neural network representation for dissipative PDE systems whose solutions relax toward a stationary equilibrium. The proposed ansatz decomposes the solution into a steady-state component and a transient correction modulated by a time-dependent decay profile. When the decay profile vanishes at long time and the transient correction remains bounded, the representation embeds convergence to the prescribed steady state directly into the architecture, rather than enforcing it through an additional penalty term. This allows the network to learn the transient dynamics while preserving the correct asymptotic behavior. We implement the approach within a physics-informed neural network (PINN) framework and train the resulting model using the SOAP optimizer. The method is evaluated on a sequence of problems of increasing physical and geometric complexity, ranging from the one-dimensional heat equation to incompressible Navier-Stokes flow in a lid-driven cavity, natural convection in a square cavity, and a full three-dimensional conjugate heat transfer problem. The numerical results show that the steady-state-informed architecture substantially improves temporal extrapolation beyond the training interval compared with architectures that do not explicitly enforce the asymptotic condition.

Operator learning is an emerging interdisciplinary field that integrates machine learning with scientific computing. By mapping infinite-dimensional function spaces, this approach provides an efficient surrogate modeling framework for high-dimensional partial differential equations (PDEs). Compared to traditional numerical solvers, it achieves a superior trade-off between computational complexity and approximation accuracy, demonstrating significant advantages in many-query tasks such as real-time prediction and parameter sweeps. Given the stringent accuracy requirements of both forward simulation and inverse inference, as well as the precision bottlenecks of existing operator learning methods in handling complex boundaries or long-term evolution, we propose the Starter-Iterator Neural Operator (SINO). Our framework reinterprets the initialization strategies and iterative formats of traditional iterative methods through neural networks, establishing an efficient approach for spectral-spatiotemporal collaborative modeling. Specifically, the frequency-domain initialization module captures globally stable low-frequency features, while the time-domain learning module focuses on optimizing local solution residuals, thereby effectively overcoming the inherent limitations of conventional single-domain modeling approaches. Extensive experiments on typical dynamical systems such as the Navier-Stokes equations and acoustic wave equations, as well as practical applications including super-resolution imaging and weather forecasting, demonstrate that SINO achieves outstanding performance in numerical accuracy, generalization capability, and robustness.

Photonic quantum machine learning offers a route to trainable physical representations built from phase, interference and measurement. However, its role in scientific machine learning remains largely unexplored. Physics-informed neural fields provide a natural setting, because differential equations require trial spaces that preserve phase, frequency and derivative structure. Here we introduce a photonic quantum neural field in which coordinates become trainable optical phases, are mixed by multi-photon Fock-space interference and are decoded from photon-number measurements. The photonic circuit is optimized as the neural-field representation itself, not as a fixed feature map or hardware accelerator. Photonic measurement is therefore a trainable representation on which the physics-informed residual is minimized. Across seven elliptic, wave, nonlinear dispersive and inverse PDE benchmarks, we observe a phase-complexity transition: classical coordinate and Fourier-feature networks suffice in smooth regimes, whereas the photonic field is most accurate when residual derivatives amplify phase mismatch. In the hardest regimes it gives the lowest errors, with margins reaching an order of magnitude and about one quarter of the trainable parameters of classical baselines. Frozen and shuffled controls, together with noise stress tests, attribute this gain to learned interference and stable Fock-probability readout under compound perturbations. These results identify photonic quantum measurement as a representation-learning principle for scientific machine learning.

We review beam-quality physics in laser-driven (LWFA) and beam-driven (PWFA) plasma wakefield accelerators through the symmetry group of the idealised blowout wake -- axisymmetry $\mathrm{SO}(2)_ϕ$, adiabatic longitudinal translation, and propagation-direction parity. Transverse perturbations of the wake are classified by an integer azimuthal multipole order $m$ labelling the irreducible representations of $\mathrm{SO}(2)_ϕ$, with the lowest beam-quality observables coupling at a specific multipole: the bunch centroid at $m=1$, cross-plane emittance coupling at $m=2$. A symplectic analogy relates transverse matching to longitudinal beam loading. Several phenomena common to LWFA and PWFA -- hose instabilities, pulse-front-tilt jitter, spot-asymmetry emittance growth, polarisation-dependent centroid motion, resonant cross-plane mixing -- populate the two lowest non-trivial $m$-channels and admit a unified discussion. The positron-witness problem reorganises in the same language: each known mitigation abandons one specific feature of the uniform-density blowout, drawn from a finite set. The classification also raises the possibility of an $m=3$ response channel whose magnitude remains open. We note the connection to symmetry-equivariant Bayesian optimisation of plasma accelerators.

We investigate the driving mechanism of low-frequency unsteadiness in bow shock-turbulent boundary layer interactions due to protuberances. Wind tunnel experiments are conducted at a freestream Mach number of 2.87 with protuberances of different shapes and sizes. From time-resolved surface pressure measurements and schlieren imaging, the unsteadiness is characterized by low-frequency shock oscillations, with a Strouhal number of $St_δ\sim 0.01$ based on the boundary layer thickness ($δ$), while the separated region exhibits predominantly mid-frequency pressure oscillations, with $St_δ \sim 0.1$. Mid-span separation length, $L_{sep}$, is identified as a key parameter in determining time and length scales of shock oscillations. Further details of the interaction are examined through compressible adaptive detached eddy simulations for one particular case, viz.,the cubical protuberance of side 15 mm. A detailed modal analysis using proper orthogonal decomposition (POD) is performed with the 3-D data from computations. Flapping of shock-foot about mid-span was apparent, over and above the coherent to-and-fro oscillations, with the dominance of anti-symmetric mode in the POD of wall pressure fluctuations. The motion of the shock foot is initiated near mid-span, while the shock foot at other spanwise locations lags behind. The flap and asymmetries are related to the spanwise extent of reverse flow. From the reconstructed 3-D flow field using low-frequency modes, along with corroborating observations from the two-point correlations, it is inferred that the imbalance and time lag between the mass injected into the separated region at reattachment and the mass leaving spanwise at the horseshoe vortex core govern the observed shock motion.

Free-surface liquid metal flows are a leading candidate for the plasma-facing components of future fusion reactors. Existing transient, three-dimensional, free-surface MHD solvers rely on the inductionless approximation in which the induced magnetic field is neglected. This paper extends the open-source solver FreeMHD [B. Wynne et al., Phys. Plasmas 32, 013907 (2025)] beyond the inductionless approximation to resolve the induced magnetic field self-consistently using a vector-potential formulation that enforces $\nabla\cdot\boldsymbol{B}=0$ by construction while preserving the original multi-region, two-phase framework. The solver is verified against analytical Shercliff and Hunt duct-flow solutions across a range of Hartmann numbers and validated against free-surface height measurements from the LMX-U experiment. To the best of our knowledge, FreeMHD2 is the first open-source, experimentally validated free-surface liquid metal solver to resolve the evolution of the induced magnetic field without invoking the inductionless approximation. By removing this approximation rather than relaxing it, the formulation provides the basis for future modeling of the finite magnetic Reynolds number conditions expected in large-scale, transient fusion events.

The dynamic response of a zero-pressure gradient turbulent boundary layer (TBL) to a large-scale perturbation in the outer region was investigated experimentally. The baseline TBL had a moderate Reynolds number such that there was no naturally occurring energetic large-scale structure (LSS) present. An active plasma-based actuator was then placed in the outer region of the TBL to introduce a periodic, spanwise-uniform, synthetic LSS. This novel actuation scheme provides a new tool by which to experimentally examine the `top-down' view of TBL dynamics/interactions. The TBL response to this synthetic structure was investigated using a combination of planar particle imaging velocimetry and spanwise offset hot-wires, over a large streamwise extent downstream of the actuator device. Phase-locked analysis was implemented to isolate and measure the streamwise development of large-scale motions and changes in turbulence amplitude induced by this synthetic LSS. A strong correlation was observed between large-scale motions near the wall, linearly superimposed from the synthetic LSS, and a periodic modulation of turbulence amplitudes. This periodic modulation was found to be linked to phase-dependent changes in both the production and transport of turbulence driven by the induced large-scale motions. The phase speed of these induced large-scale motions, coupled with intermittent changes to spanwise coherence near the wall, revealed an additional, but transient, effect of the synthetic LSS on near-wall cycle dynamics. Overall, these results characterize the influences, and limitations, of top-down interactions on global TBL dynamics.

This study presents a comparative investigation of Physics-Informed Neural Networks (PINNs) and data-driven Deep Operator Networks (DeepONets) for predicting the evolution of plane Newtonian Couette flow with dynamic wall slip. While traditional numerical methods, such as the Crank-Nicolson scheme, offer high accuracy, their computational demand poses challenges in real-time applications. To address this, we first implement a PINN framework to solve the governing equations for specific physical parameters. Subsequently, we develop a data-driven DeepONet, trained on high-fidelity numerical data, to learn the continuous solution operator across a broad range of slip boundary conditions and upper wall velocities. Our results indicate that while the PINN achieved superior point-wise precision with a relative L_2 error of 0.083%, it remains constrained by the requirement for instance-specific retraining. In contrast, the DeepONet demonstrates robust generalization on unseen and out-of-distribution signals with a mean relative error of 0.36% and 0.88%, respectively. Most notably, it provides near-instantaneous inference, achieving a speedup factor of approximately 540X over the numerical solver and 30.5% over the PINN. This work demonstrates the synergy between physics-based and data-driven architectures and establishes DeepONet as a highly efficient surrogate model for rapid parametric exploration and real-time fluid dynamics forecasting.

Quantum systems governed by unitary and reversible microscopic dynamics may nevertheless exhibit equilibration, in the sense that some effective description becomes time-independent. Standard equilibration results usually consider two separate situations: system-environment structures, in which the composite system evolves unitarily while the system of interest equilibrates, and restricted measurements, such as coarse-grained POVMs and observables, in which the measurement statistics equilibrate. Here, we bring these descriptions into a common state-level framework using the concept of generalized subsystems, where the accessible effective state appears as the output of a quantum channel acting on the microscopic state. We derive bounds showing that generalized subsystems equilibrate when their dimension is small compared with the effective dimension of the discarded microscopic information. We further show that this condition is met for typical initial states in large subspaces and that the resulting equilibrium description is largely insensitive to microscopic initial details. The framework recovers the usual equilibration bounds for ordinary subsystems and finite families of POVMs. As an example, we also introduce a finite-resolution energy channel that maps unresolved microscopic energy levels into effective energy levels, thereby making residual effective coherences explicit and showing how spectral multiplicities constrain those coherences while strengthening equilibration. Our results provide a unified state-level formulation of quantum equilibration under general forms of limited accessible information.

Spectral kissing, recently realized in a Kerr parametric oscillator (KPO), refers to the merging of pairs of energy levels and arises as a manifestation of an excited-state quantum phase transition (ESQPT). Here, we show that this phenomenon has a dissipative counterpart encoded in the spectrum of the steady-state density matrix. Using a dissipative KPO as a representative example, we demonstrate that, in the weak-dissipation regime, the eigenvalues of the steady-state density matrix organize into quasi-degenerate pairs that mirror the spectral kissing of the corresponding closed system. As the dissipation strength increases, this pairing gradually disappears. By analyzing the classical limit of the system, we derive analytical expressions for the critical lines governing both the onset of steady-state spectral kissing and its disappearance at a dissipative phase transition.

The effect of a large environment on a finite-size quantum mechanical system is two-fold: It brings dissipation, but also fluctuations of thermal and quantum origin. While dissipation tends to stabilize the dynamics, we question if and how environmental quantum fluctuations can generate chaos in an otherwise classically non-chaotic system. We work out a paradigmatic model of quantum optics: the dissipative Dicke model, where a large spin interacts with a dissipative harmonic mode. We dial in the classical/quantum correspondence by working in the semiclassical regime at large but finite spin. We demonstrate that, starting from a classically regular phase space in the superradiant regime, quantum noise can generate a strange attractor with fractal dimension and a positive Lyapunov exponent. We unveil the deep connection with shear-induced chaos that was recently developed in the mathematical community.

The ground state of random Hamiltonians with all-to-all interactions such as the quantum Sherrington-Kirkpatrick (SK) model and the Sachdev-Ye-Kitaev (SYK) model follow volume-law entanglement and are expected to be hard to model using tensor networks. In recent years, some progress has been made to push the limit of classical methods using neural quantum states. However, it remains an open question whether there exist quantum algorithms that could offer a quantum advantage over the state-of-the-art classical methods in simulating random Hamiltonians. In this work, we show that one such algorithm, TETRIS-ADAPT-VQE, can construct accurate ground states for dense and sparse SYK models containing up to $N=20$ Majorana fermions achieving fidelities $\geq 99.3\%$ and for the quantum SK model with up to $L=18$ sites achieving fidelities $\geq 99.9998\%$. We find that while the preparation of ground states is efficient (in terms of operator pool size and circuit depth) for the SK model, it is not efficient for either dense or moderately sparse SYK models.

Ultra-cold bosonic systems can be tuned to exhibit quantum phase transitions. For example, the Rabi-coupled bosonic system exhibits ferromagnetic and paramagnetic phases, whereas the spin-orbit-coupled system exhibits exciting phases such as supersolidity. The physics of these phases and phase transitions is very rich. It is an important topic of research to probe these phases and phase transitions using various tools in many-body physics. The operator product expansion (OPE) provides one such tool. It expresses the product of two separated operators as a series expansion of local operators. In this article, we will derive the OPE of two operators $ψ^\dagger_σ(\vec r)$ and $ψ_{σ'}(\vec r')$. More specifically, we look for the contact density term, which controls many of the universal physics of the underlying bosonic system.

Quantum impurity models with strong electron correlations, such as the paradigmatic Anderson Impurity Model (AIM), are central to our understanding of a range of physical phenomena including local moment formation, Coulomb blockade and Kondo screening. They describe magnetic atoms and molecules on surfaces, quantum dot circuits, and correlated materials through dynamical mean field theory. The physics of such systems in strongly non-equilibrium conditions is particularly complex and challenging to capture, whereas Gaussian models of free fermions can be easily solved. Here we show that the time-evolving dynamics of the AIM after a quench can be described by a completely non-interacting version of the model, at the expense of coupling to additional static auxiliary degrees of freedom. Starting from the full solution of the quenched AIM using ED and DMRG, we study the properties of this mapping using numerical optimization, and uncover intriguing structure in the auxiliary system. The method allows us to understand interacting non-equilibrium dynamics through the simpler lens of an effective non-interacting system of larger dimension.

Characterizing electronic band structures requires precise knowledge of wave functions and their quantum geometry. Here, we introduce a tomography method to reconstruct the density matrix of electron states from quasiparticle interference maps around single impurities. We consider two-orbital models on a honeycomb lattice, relevant to graphene heterostructures and direct-gap semiconductors. For on-site impurities, backscattering between time-reversed states directly maps the density matrix populations and coherences into distinct orbital contributions in the interference map. While local probes usually lack orbital resolution, these orbital contributions transform under distinct symmetry group representations and can thus be disentangled to reveal the density matrix and quantum geometric tensor of the scattering states. This establishes impurities as tomographic probes for band structures in scanning tunneling microscopy using conventional, unpolarized tips.

We demonstrate that all anti-self-dual Einstein metrics with non--zero cosmological constant $Λ$ locally arise from solutions of a single second order PDE introduced by Lipstein and Nagy. We show how this equation fits into the hyper--heavenly formalism of Plebański, and establish a Lax pair. Finally we show how Plebański's second heavenly equation arises in the limit as $Λ\rightarrow 0$.

We analyze a two-dimensional Bose-Fermi mixture at zero temperature in the presence of a tunable Bose-Fermi attraction. We adopt a diagrammatic T-matrix approach and study the behavior of several thermodynamic quantities for the two species as functions of density, mass ratio, and coupling strength. These include the chemical potentials, the boson momentum distribution function, the condensate density, and Tan's contact parameter. We analytically demonstrate that the present T-matrix formalism recovers the correct second-order perturbative expansion of the chemical potentials in the weak-coupling regime, and test it numerically. The near-universal behavior of the condensate fraction already found in prior work for the mass-balanced case is confirmed for different masses and becomes even more accurate when the boson mass is large. The mass imbalance emerges as an additional control parameter that qualitatively affects the bosonic momentum distribution. In particular, we found that it can be used to allow for the experimental observation of a peculiar peak in the boson momentum distribution at finite momentum.

Adaptive Hamiltonian learning is central to calibrating and characterizing quantum devices. In an adaptive controller, choosing the next experiment is itself a computation. Bayesian design rules are recomputed after every posterior update, and that step can take seconds. Across hundreds of shots, those seconds become a significant wall-clock cost for adaptivity. We introduce SymQNet, an amortized reinforcement-learning approach for low-latency adaptive Hamiltonian learning. SymQNet learns a posterior-conditioned acquisition policy offline, then uses a fast policy forward pass online while retaining Bayesian posterior feedback. On transverse-field Ising benchmarks, SymQNet substantially reduces acquisition latency relative to bounded Fisher-information search and bounded two-step Bayesian active learning by disagreement (BALD). At five qubits, it reduces acquisition-only decision latency by $47.1\times$ and $72.6\times$ relative to these online baselines; at twelve qubits, full simulated steps take $1.02$ s for SymQNet versus $13.27$ s for bounded two-step BALD. Overall, we show that learned acquisition can make adaptive Hamiltonian learning practical for repeated low-latency workloads.

Quantum circuit routing is a key step in compiling programs for noisy intermediate-scale quantum processors. Routes that appear efficient by standard overhead metrics can still lose fidelity when they pass through poorly calibrated couplers. We study a calibration-aware graph reinforcement-learning router that uses same-day IBM Heron r2 calibration data to choose hardware-edge SWAPs. We train the policy with proximal policy optimization and evaluate it with exact simulated fidelity across nine Munich Quantum Toolkit (MQT) Bench circuits and three calibration snapshots. Across these evaluations, pooled mean exact fidelity is $0.727$, compared with $0.440$ for SABRE-best20 and $0.481$ for target-aware SABRE. We observed that fidelity gains came with higher routed two-qubit counts and were concentrated in 5 qubit and 8 qubit circuit families; under the fixed tree action graph, all 10 qubit families favored SABRE-best20. Overall, our results show that calibration-aware learned routing can improve fidelity beyond gate-count-driven compilation.

We develop a data-driven framework for estimating optimal linear response of nonlinear dynamical systems. Our approach is based on kernel-smoothed approximations of the transfer/Koopman operators of the system, built from possibly high-dimensional observations along trajectories. Combining these operator approximations with the theory developed in [Antown et al. (2018), J. Stat. Phys., 170(6), 1051-1087], we formulate a computationally tractable optimization problem for the optimal infinitesimal perturbation realising any desired manipulation of the spectrum. We also introduce a notion of optimal-response vector fields for visualising, and physically interpreting, the system's response to the optimal perturbation under arbitrary observations. Our focus is on finding perturbations that optimally increase the frequency or optimally suppress the decay of correlations of almost-cycles or almost-invariant sets associated with the eigenvalues of the kernel-smoothed transfer operator. We illustrate our approach with applications to low-dimensional periodic and chaotic systems, as well as a high-dimensional example involving the El Nino Southern Oscillation in a comprehensive Earth system model. In these examples our approach discovers nontrivial optimal perturbations of the system, which are post hoc natural and consistent with the desired dynamical objectives.

Determining the neutrino mass ordering remains a central open problem in particle physics. While next-generation long-baseline experiments are expected to resolve this question, current data provide limited sensitivity because the spectral differences between normal and inverted ordering are subtle and entangled with parameter degeneracies. We investigate a machine-learning strategy for mass-ordering determination using a feed-forward neural-network classifier trained on synthetic long-baseline datasets generated with three-flavour oscillation probabilities, matter effects, and statistical fluctuations. We evaluate the classifier against standard $χ^2$ and $\log\mathcal{L}$ approaches using common discrimination metrics, including receiver-operating-characteristic curves, to quantify sensitivity and to illustrate how operating points can be selected to prioritise purity or efficiency. We find that the neural network achieves performance comparable to conventional fits for the scenarios studied, providing a flexible, independent cross-check of established analyses. The framework can be extended to incorporate systematic uncertainties and to explore joint inference of oscillation parameters, and it may also serve as a pedagogical tool for introducing machine-learning methods in neutrino physics.

In this work we present a pedagogically motivated analysis of spin-correlation calculations in a quantum system composed of two spin-$1/2$ particles. Rather than aiming at new physical results, our purpose is to clarify and bring attention to different strategies for evaluating expectation values of the form $\langle ψ| S^{(1)}_{\hat{\boldsymbol{u}}} S^{(2)}_{\hat{\boldsymbol{v}}} | ψ\rangle$, which play an important role in discussions of entanglement and Bell-type correlations. We compare three complementary approaches. The first follows a direct algebraic evaluation in the product basis, closely related to standard textbook methods. The second uses a matrix representation of bipartite states, in which the tensor-product structure is expressed in terms of $2\times2$ complex matrices. This representation keeps the calculation close to the familiar Pauli-matrix algebra and makes the independent action of operators on each subsystem more transparent. The third explores a symmetry-based argument, highlighting both its usefulness and its limitations when applied beyond the singlet state. We show explicitly that the singlet state is rotationally invariant, which explains why the symmetry argument successfully reproduces its correlation function, while a naive extension fails for triplet states. The discussion illustrates how entanglement, tensor-product structure, and rotational symmetry interplay in spin correlations.

Nuclear quantum effects and non-Born--Oppenheimer effects play a vital role in many chemical and biological processes, motivating the incorporation of such effects into dynamical simulations. In real-time nuclear--electronic orbital time-dependent density functional theory (RT-NEO-TDDFT), the electronic and nuclear densities are propagated numerically in time according to the time-dependent Schrödinger equation. In this framework, specified protons are treated quantum mechanically on the same level as the electrons. The classical nuclei can be propagated on the instantaneous NEO vibronic surface using Ehrenfest dynamics. A traveling proton basis (TPB) can be used to describe the dynamics of moving protons in conjunction with Gaussian-type protonic and electronic basis sets for each quantum proton. Herein, we present a constrained TPB (c-TPB) approach that ensures each protonic basis function center coincides with the corresponding proton position expectation value during the dynamics. This approach produces accurate nuclear--electronic quantum dynamics and rigorously conserves energy. We demonstrate the accuracy and stability of this approach for computing molecular vibrational frequencies as well as simulating excited-state intramolecular proton transfer and double proton transfer in the o-hydroxybenzaldehyde and [2,2$'$-bipyridyl]-3,3$'$-diol molecules. These applications show that the c-TPB method provides accurate dynamics, conserves energy, and is computationally efficient.

We introduce a simplicial and categorical formulation of Aharonov-Bohm (AB) type arbitrage in filtered market systems. Given a filtration modeled as a contravariant functor $F : \mathcal T^{op} \to \mathbf{Prob},$ we consider the associated conditional expectation transport functor $\mathcal E \circ F : \mathcal T^{op} \to \mathbf{Ban},$ and the canonical distortion $dF(i) := (\mathcal E \circ F)(i)(1),$ which measures the failure of constant functions to be preserved under non-measure-preserving transitions. Motivated by the multiplicative transport structure of $dF$, we introduce a simplicial distortion operator defined recursively on the nerve $N_\bullet(\mathcal T)$ of the time category. This construction describes recursively accumulated transported distortions along composable chains of morphisms and leads naturally to a notion of holonomy along loops. We interpret non-trivial holonomy as a global inconsistency invisible at the level of individual transitions, analogous to the Aharonov-Bohm effect in physics. This yields a notion of AB arbitrage, in which arbitrage opportunities arise from global loop effects rather than local price discrepancies. We further introduce simplicial admissibility conditions ensuring that recursively accumulated distortions remain integrable, and show how non-trivial holonomy can be translated into predictable self-financing trading strategies through executable loop dynamics. This establishes a connection between categorical holonomy structures and economically realizable arbitrage. The framework developed here suggests a global and homological perspective on arbitrage theory, in which market inconsistencies are encoded by recursively accumulated simplicial distortions and their holonomy along loops in the underlying time category.

The realization of Hawking radiation in optical analogs has historically focused on kinematic observables, such as the effective temperature determined by the horizon's surface gravity. A complete thermodynamic description, however, necessitates a rigorous definition of entropy and irreversibility, which has remained elusive in Hamiltonian optical systems. In this work, we bridge this gap by introducing an operational entropy for solitonic event horizons, derived from the spectral partitioning of the optical field into coherent solitonic and incoherent radiative subsystems. The emission of resonant radiation, driven by the breaking of soliton integrability under higher-order dispersion, is the fundamental mechanism for entropy production. Numerical simulations of the generalized nonlinear Schrödinger equation (GNLSE) demonstrate that, in a coarse-grained sense, this process obeys a generalized second law (GSL), $ΔS_{\mathrm{tot}} \ge 0$, robustly across a wide range of soliton orders and dispersion strengths. These results show that event horizons in dispersive field theories behave as consistent nonequilibrium thermodynamic systems, and that the relevant entropy is accessible from laboratory spectral measurements.

We present a physics-based neural network framework for the discovery of constitutive models in fully coupled thermomechanics. In contrast to classical formulations based on the Helmholtz energy, we adopt the internal energy and a dissipation potential as primary constitutive functions, expressed in terms of deformation and entropy. This choice avoids the need to enforce mixed convexity--concavity conditions and facilitates a consistent incorporation of thermodynamic principles. In this contribution, we focus on materials without preferred directions or internal variables. While the formulation is posed in terms of entropy, the temperature is treated as the independent observable, and the entropy is inferred internally through the constitutive relation, enabling thermodynamically consistent modeling without requiring entropy data. Thermodynamic admissibility of the networks is guaranteed by construction. The internal energy and dissipation potential are represented by input convex neural networks, ensuring convexity and compliance with the second law. Objectivity, material symmetry, and normalization are embedded directly into the architecture through invariant-based representations and zero-anchored formulations. We demonstrate the performance of the proposed framework on synthetic and experimental datasets, including purely thermal problems and fully coupled thermomechanical responses of soft tissues and filled rubbers. The results show that the learned models accurately capture the underlying constitutive behavior. All code, data, and trained models are made publicly available via https://doi.org/10.5281/zenodo.19248596.

This work presents the application of parametric Operator Inference (OpInf) -- a nonintrusive reduced-order modeling (ROM) technique that learns a low-dimensional representation of a high-fidelity model -- to the numerical model of the purging process in semiconductor manufacturing. Leveraging the data-driven nature of the OpInf framework, we aim to forecast the flow field within a plasma-enhanced chemical vapor deposition (PECVD) chamber using computational fluid dynamics (CFD) simulation data. Our model simplifies the system by excluding plasma dynamics and chemical reactions, while still capturing the key features of the purging flow behavior. The parametric OpInf framework learns nine ROMs based on varying argon mass flow rates at the inlet and different outlet pressures. It then interpolates these ROMs to predict the system's behavior for 25 parameter combinations, including 16 scenarios that are not seen in training. The parametric OpInf ROMs, trained on 36\% of the data and tested on 64\%, demonstrate accuracy across the entire parameter domain, with a maximum error of 9.32\%. Furthermore, the ROM achieves an approximate 142-fold speedup in online computations compared to the full-order model CFD simulation. These OpInf ROMs may be used for fast and accurate predictions of the purging flow in the PECVD chamber, which could facilitate effective particle contamination control in semiconductor manufacturing.

We prove, within the probabilistic framework of Khinchin families, that the generating function $P_k$ of partitions into $k$-th powers is strongly Gaussian in the sense of Báez-Duarte, and even further that it is a Hayman function. Thus the Hardy--Ramanujan asymptotic formula for the number $p_k(n)$ of partitions of $n$ into $k$-th powers which reads \[ p_k(n) \sim \frac{α_k}{n^{(3k+1)/(2k+2)}} \exp\!\Big(β_k\, n^{1/(k+1)}\Big), \qquad n\to\infty, \] where $α_k$ and~$β_k$ are explicit constants depending only on $k$, follows directly from Hayman's asymptotic formula for strongly Gaussian power series. The proof of strong Gaussianity of $P_k$ combines a Gaussianity criterion for Khinchin families with certain bounds of Tenenbaum, Wu and Li on the generating function; the asymptotic formula is recovered by computing asymptotic approximations of the mean and variance of the associated family. Analogous results are presented for the generating function $Q_k$ of partitions into distinct $k$-th powers.