Daily Papers

Iterative generative policies, such as diffusion models and flow matching, offer superior expressivity for continuous control but complicate Maximum Entropy Reinforcement Learning because their action log-densities are not directly accessible. To address this, we propose Field Least-Energy Actor-Critic (FLAC), a likelihood-free framework that regulates policy stochasticity by penalizing the kinetic energy of the velocity field. Our key insight is to formulate policy optimization as a Generalized Schrödinger Bridge (GSB) problem relative to a high-entropy reference process (e.g., uniform). Under this view, the maximum-entropy principle emerges naturally as staying close to a high-entropy reference while optimizing return, without requiring explicit action densities. In this framework, kinetic energy serves as a physically grounded proxy for divergence from the reference: minimizing path-space energy bounds the deviation of the induced terminal action distribution. Building on this view, we derive an energy-regularized policy iteration scheme and a practical off-policy algorithm that automatically tunes the kinetic energy via a Lagrangian dual mechanism. Empirically, FLAC achieves superior or comparable performance on high-dimensional benchmarks relative to strong baselines, while avoiding explicit density estimation.

Orbital-free density functional theory (OF-DFT) holds the promise to compute ground state molecular properties at minimal cost. However, it has been held back by our inability to compute the kinetic energy as a functional of the electron density only. We here set out to learn the kinetic energy functional from ground truth provided by the more expensive Kohn-Sham density functional theory. Such learning is confronted with two key challenges: Giving the model sufficient expressivity and spatial context while limiting the memory footprint to afford computations on a GPU; and creating a sufficiently broad distribution of training data to enable iterative density optimization even when starting from a poor initial guess. In response, we introduce KineticNet, an equivariant deep neural network architecture based on point convolutions adapted to the prediction of quantities on molecular quadrature grids. Important contributions include convolution filters with sufficient spatial resolution in the vicinity of the nuclear cusp, an atom-centric sparse but expressive architecture that relays information across multiple bond lengths; and a new strategy to generate varied training data by finding ground state densities in the face of perturbations by a random external potential. KineticNet achieves, for the first time, chemical accuracy of the learned functionals across input densities and geometries of tiny molecules. For two electron systems, we additionally demonstrate OF-DFT density optimization with chemical accuracy.

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)}.

Recent successful generative models are trained by fitting a neural network to an a-priori defined tractable probability density path taking noise to training examples. In this paper we investigate the space of Gaussian probability paths, which includes diffusion paths as an instance, and look for an optimal member in some useful sense. In particular, minimizing the Kinetic Energy (KE) of a path is known to make particles' trajectories simple, hence easier to sample, and empirically improve performance in terms of likelihood of unseen data and sample generation quality. We investigate Kinetic Optimal (KO) Gaussian paths and offer the following observations: (i) We show the KE takes a simplified form on the space of Gaussian paths, where the data is incorporated only through a single, one dimensional scalar function, called the data separation function. (ii) We characterize the KO solutions with a one dimensional ODE. (iii) We approximate data-dependent KO paths by approximating the data separation function and minimizing the KE. (iv) We prove that the data separation function converges to 1 in the general case of arbitrary normalized dataset consisting of n samples in d dimension as n/drightarrow 0. A consequence of this result is that the Conditional Optimal Transport (Cond-OT) path becomes kinetic optimal as n/drightarrow 0. We further support this theory with empirical experiments on ImageNet.

In turbulent flows, energy flux refers to the transfer of kinetic energy across different scales of motion, a concept that is a cornerstone of turbulence theory. The direction of net energy flux is prescribed by the dimensionality of the fluid system.

Gamma-ray bursts (GRBs) are widely suggested as potential sources of ultrahigh-energy cosmic rays (UHECRs). The kinetic energy of the jets dissipates, leading to the production of an enormous amount of gamma-ray photons and possibly also the acceleration of protons. The accelerated protons will interact with the radiation of the GRB via the photomeson and Bethe-Heitler processes, which can initiate electromagnetic cascades. This process can give rise to broadband radiation up to the GeV-TeV gamma-ray regime. The expected gamma-ray flux from cascades depends on properties of the GRB jet, such as the dissipation radius R_{rm diss}, the bulk Lorentz factor Gamma, and the baryon loading factor eta_p. Therefore, observations of Fermi-LAT can impose constraints on these important parameters. In this study, we select 12 GRBs of high keV-MeV fluence and constrain the baryon loading factor, under different combinations of the bulk Lorentz factor and the dissipation radius based on Fermi-LAT's measurements. Our findings indicate a strong constraint of eta_p<10 for most selected GRBs over a large parameter space except for large dissipation radii (gtrsim 10^{15}rm cm) and high bulk Lorentz factors (gtrsim 600). The constraint is comparable to, and in some GRBs even stronger than, that from high-energy neutrinos for stacked GRBs. Our results suggest that for typical bulk Lorentz factor of several hundreds, the dissipation radii of GRBs need be large to avoid overshooting the GeV gamma-ray flux during the prompt emission phase of GRBs, which can be used to constrain GRBs.

Fast X-ray transients (FXRTs) are short-lived X-ray outbursts with diverse progenitor scenarios, including compact object mergers, stellar core-collapses and tidal disruption events. The Einstein Probe (EP) has enabled the rapid discovery and follow-up of dozens of FXRTs, revealing that while some of them overlap with traditional gamma-ray bursts (GRBs), a larger fraction of FXRTs have no associated gamma-ray counterpart down to deep limits. The origin of these gamma-ray dark FXRTs and their connection to the diverse landscape of stellar explosions remains an open question, which can be tackled through the study of their multi-wavelength counterparts and environment. In this paper, we present long-term radio observations of the gamma-ray dark EP241021a, which exhibits sustained radio emission for over 100 days, placing it among the longest-lived radio afterglows. We detect signature of interstellar scintillation in early epochs, allowing us to constrain the angular size and Lorentz factor of the emitting region. Our observations point to an outflow that is at least mildly relativistic with Lorentz factor > 4. Afterglow modeling favors a moderately relativistic and collimated outflow interacting with a low-density interstellar medium. The derived beaming-corrected kinetic energy and low radiative efficiency are consistent with a standard relativistic explosion which did not produce bright gamma-rays. Alternatively, a highly-relativistic structured jet remains consistent with our observations if seen substantially off-axis. In the latter case, the initial X-ray flare detected by EP would be caused by the slower ejecta from the lateral wings intercepting our line of sight rather than by traditional prompt-emission mechanisms within the jet core.

We investigate the coupling effects of the two-phase interface, viscosity ratio, and density ratio of the dispersed phase to the continuous phase on the flow statistics in two-phase Taylor-Couette turbulence at a system Reynolds number of 6000 and a system Weber number of 10 using interface-resolved three-dimensional direct numerical simulations with the volume-of-fluid method. Our study focuses on four different scenarios: neutral droplets, low-viscosity droplets, light droplets, and low-viscosity light droplets. We find that neutral droplets and low-viscosity droplets primarily contribute to drag enhancement through the two-phase interface, while light droplets reduce the system's drag by explicitly reducing Reynolds stress due to the density dependence of Reynolds stress. Additionally, low-viscosity light droplets contribute to greater drag reduction by further reducing momentum transport near the inner cylinder and implicitly reducing Reynolds stress. While interfacial tension enhances turbulent kinetic energy (TKE) transport, drag enhancement is not strongly correlated with TKE transport for both neutral droplets and low-viscosity droplets. Light droplets primarily reduce the production term by diminishing Reynolds stress, whereas the density contrast between the phases boosts TKE transport near the inner wall. Therefore, the reduction in the dissipation rate is predominantly attributed to decreased turbulence production, causing drag reduction. For low-viscosity light droplets, the production term diminishes further, primarily due to their greater reduction in Reynolds stress, while reduced viscosity weakens the density difference's contribution to TKE transport near the inner cylinder, resulting in a more pronounced reduction in the dissipation rate and consequently stronger drag reduction. Our findings provide new insights into the turbulence modulation in two-phase flow.

Plasma modeling is central to the design of nuclear fusion reactors, yet simulating collisional plasma kinetics from first principles remains a formidable computational challenge: the Vlasov-Maxwell-Landau (VML) system describes six-dimensional phase-space transport under self-consistent electromagnetic fields together with the nonlinear, nonlocal Landau collision operator. A recent deterministic particle method for the full VML system estimates the velocity score function via the blob method, a kernel-based approximation with O(n^2) cost. In this work, we replace the blob score estimator with score-based transport modeling (SBTM), in which a neural network is trained on-the-fly via implicit score matching at O(n) cost. We prove that the approximated collision operator preserves momentum and kinetic energy, and dissipates an estimated entropy. We also characterize the unique global steady state of the VML system and its electrostatic reduction, providing the ground truth for numerical validation. On three canonical benchmarks -- Landau damping, two-stream instability, and Weibel instability -- SBTM is more accurate than the blob method, achieves correct long-time relaxation to Maxwellian equilibrium where the blob method fails, and delivers 50% faster runtime with 4times lower peak memory.

Hot carriers, inheriting excess kinetic energy from high-energy photons, underpin numerous optoelectronic applications involving non-equilibrium transport processes. Current research on hot carriers has predominantly focused on inorganic materials, with little attention paid to organic-based systems due to their ultrafast energy relaxation and inefficient charge transport. Here, we overturn this paradigm by demonstrating highly mobile hot carriers in solution-processable, highly crystalline two-dimensional conjugated coordination polymer (2D c-CP) Cu3BHT (BHT = benzenehexathiol) films. Leveraging a suite of ultrafast spectroscopic and imaging techniques, we unravel the microscopic charge transport landscape in Cu3BHT films following non-equilibrium photoexcitation across temporal, spatial, and frequency domains, revealing two distinct high-mobility transport regimes. In the non-equilibrium transport regime, hot carriers achieve ultrahigh mobility of ~2,000 cm2 V-1 s-1, traversing grain boundaries up to 300 nm within a picosecond. In the quasi-equilibrium transport regime, free carriers exhibit Drude-type band-like transport with a remarkable mobility of ~400 cm2 V-1 s-1 and an intrinsic diffusion length exceeding 1 micrometer. These findings establish 2D c-CPs as versatile platforms for exploring high-mobility non-equilibrium transport, unlocking new opportunities for organic-based hot carrier applications.

Kohn--Sham density functional theory (DFT) underpins electronic-structure simulations, but repeated orbital diagonalizations lead to cubic scaling, restricting quantum calculations to modest scales only. Eliminating these auxiliary orbitals while retaining Kohn--Sham accuracy is the central goal of orbital-free DFT, but both analytical and machine-learning methods have so far fallen short. Prior learning approaches either try to learn the variational kinetic-energy functionals, which are ill-conditioned, or directly predict the ground state, which extrapolate poorly to larger systems. Instead, we identify the Kohn--Sham map as the right learning target for orbital-free DFT. It maps a Kohn--Sham potential directly to the corresponding density and noninteracting kinetic energy, quantities otherwise obtained through an orbital diagonalization. Focusing on the density component in this work, a domain-invariant SE(3)-equivariant Fourier neural operator learns to predict it from the potential as input on real-space grids, enabling stable quasi-linear scaling SCFs. Trained jointly on 8,504 molecules and solids, a single model generalizes to out-of-distribution organic molecules, insulators, and metals. For the first time, the same method converges SCFs across these systems without explicitly constructing Kohn--Sham orbitals, while reproducing densities, electronic spectra, and structural observables at Kohn--Sham DFT accuracy. Linear-scaling SCFs additionally allow converging magnesium dislocation densities containing up to 82,500 valence electrons on a single GPU.

The transition from the superconducting to the normal state in a magnetic field was considered as a irreversible thermodynamic process before 1933 because of Joule heating. But all physicists became to consider this transition as reversible after 1933 because of the obvious contradiction of the Meissner effect with the second law of thermodynamics if this transition is considered as a irreversible process. This radical change of the opinion contradicted logic since the dissipation of the kinetic energy of the surface screening current into Joule heat in the normal state cannot depend on how this current appeared in the superconducting state. The inconsistency of the conventional theory of superconductivity, created in the framework of the equilibrium thermodynamics, with Joule heating, on which Jorge Hirsch draws reader's attention, is a consequence of this history. In order to avoid contradiction with the second law of thermodynamics, physicists postulated in the thirties of the last century that the surface screening current is damped without the generation of Joule heat. This postulate contradicts not only logic and the conventional theory of superconductivity but also experimental results.

This paper introduces an innovative approach to analyzing and improving multi-hop reasoning in AI systems by drawing inspiration from Hamiltonian mechanics. We propose a novel framework that maps reasoning chains in embedding spaces to Hamiltonian systems, allowing us to leverage powerful analytical tools from classical physics. Our method defines a Hamiltonian function that balances the progression of reasoning (kinetic energy) against the relevance to the question at hand (potential energy). Using this framework, we analyze a large dataset of reasoning chains from a multi-hop question-answering task, revealing intriguing patterns that distinguish valid from invalid reasoning. We show that valid reasoning chains have lower Hamiltonian energy and move in ways that make the best trade-off between getting more information and answering the right question. Furthermore, we demonstrate the application of this framework to steer the creation of more efficient reasoning algorithms within AI systems. Our results not only provide new insights into the nature of valid reasoning but also open up exciting possibilities for physics-inspired approaches to understanding and improving artificial intelligence.

The trouble in detecting low mass dark matter due to its low kinetic energy can be ameliorated in the boosted dark matter framework, where a sub-population of galactic dark matter attains very high energy after being up-scattered by energetic standard model particles. However, in such a scenario the upper limits on the cross-section obtained hitherto are typically large. Hence in the minimal extension of standard model where new mediators act as a portal between the dark and visible sectors, the direct detection limits for sub-GeV dark matter might lie within the exclusion region of other ground based searches of the mediator. To evade this deadlock, we allude to blazar boosted dark matter electron scattering in multi-ton neutrino detector Super kamiokande. We consider minimal models such as axion like particle (ALP) and vector portal dark matter being upscattered by high energy blazar jet and analyse the interesting parameter reaches from Super kamiokande in the parameter space of the mediator, surpassing the existing constraints. Besides, this scenario exhibits stronger limits for previously unexplored ALP mediated sub-MeV dark matter search which is difficult due to associated momentum suppression.

Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically transformed into a one-electron reduced-density-matrix (1-RDM) functional theory, which can address the limitations of DFT while retaining favorable computational scaling compared to wavefunction-based approaches. In addition to relaxing the idempotency restriction on the 1-RDM in the kinetic energy term, we add a quadratic 1-RDM-based term to DFT's density-based exchange-correlation functional. Our approach, which we implement by quadratic semidefinite programming at DFT's computational scaling of O(r^{3}), yields substantial improvements over traditional DFT in the description of static correlation in chemical structures and processes such as singlet biradicals and bond dissociations.

We perform 3D radiation-magnetohydrodynamic simulations of the evolution of the fallback debris after a tidal disruption event. We focus on studying the effects of magnetic fields on the formation and early evolution of the accretion flow. We find that large magnetic fields can increase the debris stream thickness, moderately reducing the efficiency of the radiative acceleration of outflows during the first self-intersecting collisions. As gas accumulates and the collisions happen instead between the infalling stream and the accretion flow, magnetized and nonmagnetized systems evolve similarly at these early times: radiation-driven outflows dominate early after the initial stream-stream collision and a few days later, the accretion rate exceeds the mass outflow rate. We find that the MRI does not play a significant role in angular momentum transport and dissipation. Nor do we find evidence of a magnetocentrifugal driven outflow. Instead, collisions continue to dissipate kinetic energy into radiation that launches outflows and powers TDE luminosities reaching Lsim4-6times10^{44} erg s^{-1}. Shock-driven outflows and inflows redistribute angular momentum throughout the extent (sim50 r_s) of the forming eccentric disk. Even in the presence of magnetic stresses, the accretion flow remains mostly eccentric with esim0.2-0.3 for rlesssim8r_s and esim0.4-0.5 for 10lesssim r,(r_s)lesssim50. Lastly, we find a polar angle-dependent density structure compatible with the viewing-angle effect, along with an additional azimuthal angle dependence established by the collisions.

The near-Earth asteroid 2024 YR4 -- a sim60 m rocky object that was once considered a potential Earth impactor -- has since been ruled out for Earth but retained a sim4.3% probability of striking the Moon in 2032. Such an impact, with equivalent kinetic energy of sim6.5 Mt TNT, is expected to produce a sim1 km crater on the Moon, and will be the most energetic lunar impact event ever recorded in human history. Despite the associated risk, this scenario offers a rare and valuable scientific opportunity. Using a hybrid framework combining Monte Carlo orbital propagation, smoothed particle hydrodynamics (SPH) impact modeling, and N-body ejecta dynamics, we evaluate the physical outcomes and propose the observation timelines of this rare event. Our results suggest an optical flash of visual magnitude from -2.5 to -3 lasting several minutes directly after the impact, followed by hours of infrared afterglow from sim2000 K molten rock cooling to a few hundred K. The associated seismic energy release would lead to a global-scale lunar reverberation (magnitude sim5.0) that can be detectable by modern seismometers. Furthermore, the impact would eject sim10^8 kg of debris that escapes the lunar gravity, with a small fraction reaching Earth to produce a lunar meteor outburst within 100 years. Finally, we integrate these results into a coordinated observation timeline, identifying the best detection windows for ground-based telescopes, lunar orbiters, and surface stations.

In nature, symmetry governs regularities, while symmetry breaking brings texture. In artificial neural networks, symmetry has been a central design principle to efficiently capture regularities in the world, but the role of symmetry breaking is not well understood. Here, we develop a theoretical framework to study the "geometry of learning dynamics" in neural networks, and reveal a key mechanism of explicit symmetry breaking behind the efficiency and stability of modern neural networks. To build this understanding, we model the discrete learning dynamics of gradient descent using a continuous-time Lagrangian formulation, in which the learning rule corresponds to the kinetic energy and the loss function corresponds to the potential energy. Then, we identify "kinetic symmetry breaking" (KSB), the condition when the kinetic energy explicitly breaks the symmetry of the potential function. We generalize Noether's theorem known in physics to take into account KSB and derive the resulting motion of the Noether charge: "Noether's Learning Dynamics" (NLD). Finally, we apply NLD to neural networks with normalization layers and reveal how KSB introduces a mechanism of "implicit adaptive optimization", establishing an analogy between learning dynamics induced by normalization layers and RMSProp. Overall, through the lens of Lagrangian mechanics, we have established a theoretical foundation to discover geometric design principles for the learning dynamics of neural networks.

We present a neural flow wavefunction, Gauge-Fermion FlowNet, and use it to simulate 2+1D lattice compact quantum electrodynamics with finite density dynamical fermions. The gauge field is represented by a neural network which parameterizes a discretized flow-based transformation of the amplitude while the fermionic sign structure is represented by a neural net backflow. This approach directly represents the U(1) degree of freedom without any truncation, obeys Guass's law by construction, samples autoregressively avoiding any equilibration time, and variationally simulates Gauge-Fermion systems with sign problems accurately. In this model, we investigate confinement and string breaking phenomena in different fermion density and hopping regimes. We study the phase transition from the charge crystal phase to the vacuum phase at zero density, and observe the phase seperation and the net charge penetration blocking effect under magnetic interaction at finite density. In addition, we investigate a magnetic phase transition due to the competition effect between the kinetic energy of fermions and the magnetic energy of the gauge field. With our method, we further note potential differences on the order of the phase transitions between a continuous U(1) system and one with finite truncation. Our state-of-the-art neural network approach opens up new possibilities to study different gauge theories coupled to dynamical matter in higher dimensions.

Slater-type orbitals (STOs) provide the physically correct description of atomic wavefunctions but have been largely replaced by Gaussian-type orbitals in computational chemistry due to the lack of closed-form multi-center integrals. We present a systematic study of amplitude encoding of STOs on quantum computers using matrix product states (MPS). For one-dimensional orbital functions of the form p_d(x) e^{-ζx}, we derive analytical MPS constructions with constant bond dimension χ= d + 1, requiring O(n) classical and quantum resources for n-qubit registers with no grid sampling. We demonstrate a complete one-electron integral pipeline -- overlap, kinetic energy, and nuclear attraction -- in one dimension, validating the overlap and kinetic energy on IBM Heron processors at 5~qubits with 0.67\% hardware-induced error using Zero-Noise Extrapolation. In three dimensions, we compute multi-center overlap integrals between 1s and 2s orbitals in Cartesian coordinates with 0.02\% discretization error at 18~qubits. A systematic entanglement analysis reveals that the MPS bond dimension of three-dimensional STOs in Cartesian coordinates saturates with increasing grid resolution -- reaching sim138 for the hydrogen 1s orbital at 12~qubits per coordinate -- establishing bounded encoding complexity rather than the exponential scaling initially expected. The SVD truncation threshold provides a practical resource parameter, reducing the bond dimension to 39 at threshold 10^{-6} with negligible accuracy loss. These results map the entanglement landscape for amplitude encoding of atomic orbitals and establish MPS-based state preparation as a viable path toward exact STO basis sets on quantum computers.

Stand-up comedy, and humor in general, are often studied through their verbal content. Yet live performance relies just as much on embodied presence and audience feedback. We introduce TIC-TALK, a multimodal resource with 5,400+ temporally aligned topic segments capturing language, gesture, and audience response across 90 professionally filmed stand-up comedy specials (2015-2024). The pipeline combines BERTopic for 60 s thematic segmentation with dense sentence embeddings, Whisper-AT for 0.8 s laughter detection, a fine-tuned YOLOv8-cls shot classifier, and YOLOv8s-pose for raw keypoint extraction at 1 fps. Raw 17-joint skeletal coordinates are retained without prior clustering, enabling the computation of continuous kinematic signals-arm spread, kinetic energy, and trunk lean-that serve as proxies for performance dynamics. All streams are aligned by hierarchical temporal containment without resampling, and each topic segment stores its sentence-BERT embedding for downstream similarity and clustering tasks. As a concrete use case, we study laughter dynamics across 24 thematic topics: kinetic energy negatively predicts audience laughter rate (r = -0.75, N = 24), consistent with a stillness-before-punchline pattern; personal and bodily content elicits more laughter than geopolitical themes; and shot close-up proportion correlates positively with laughter (r = +0.28), consistent with reactive montage.

In this study, we examine the frequency and physical drivers of transformations from cool-core (CC) to non-cool-core (NCC) clusters, and vice versa, in a sample of 352 massive galaxy clusters (M_vir = 10^14-15.3 M_sun) from the TNG-Cluster magnetohydrodynamical cosmological simulation of galaxies. By identifying transformations based on the evolution of central entropy and focusing on z<2.5, we find that clusters frequently undergo such events, depending on their assembly and supermassive black hole histories. On average, clusters experience 2 to 3 transformations. Transformations can occur in both directions and can be temporary, but those to higher entropy cores, i.e. in the direction from CC to NCC states, are the vast majority. CC phases are shorter than NCC phases, and thus overall the TNG-Cluster population forms with low-entropy cores and moves towards NCC states with time. We study the role that mergers play in driving transformations, and find that mergers within ~1Gyr prior to a transformation toward higher (but not lower) entropy cores occur statistically more often than in a random control sample. Most importantly, we find examples of mergers associated with CC disruption regardless of their mass ratio or angular momentum. However, past merger activity is not a good predictor for z=0 CC status, at least based on core entropy, even though clusters undergoing more mergers eventually have the highest core entropy values at z=0. We consider the interplay between AGN feedback and evolving cluster core thermodynamics. We find that core transformations are accompanied by an increase in AGN activity, whereby frequent and repeated (kinetic) energy injections from the central SMBHs can produce a collective, long-term impact on central entropy, ultimately heating cluster cores. Whether such fast-paced periods of AGN activity are triggered by mergers is plausible, but not necessary.

The independent atom ansatz of density functional theory yields an accurate analytical expression for dynamic correlation energy in the H_{2} molecule: E_{c} = 0.5(1 - 2)(ab|ba) for the atom-additive self-consistent density rho = |a|^{2} + |b|^{2}. Combined with exact atomic self-exchange, it recovers more than 99.5 % of nearly exact SCAN exchange-correlation energy at R > 0.5 A, differing by less than 0.12 eV. The total energy functional correctly dissociates the H-H bond and yields absolute errors of 0.002 A, 0.19 eV, and 13 cm^{-1} relative to experiment at the tight binding computational cost. The chemical bond formation is attributed to the asymptotic Heitler-London resonance of quasi-orthogonal atomic states (- (ab|ba)) with no contributions from kinetic energy or charge accumulation in the bond.

Matching objectives underpin the success of modern generative models and rely on constructing conditional paths that transform a source distribution into a target distribution. Despite being a fundamental building block, conditional paths have been designed principally under the assumption of Euclidean geometry, resulting in straight interpolations. However, this can be particularly restrictive for tasks such as trajectory inference, where straight paths might lie outside the data manifold, thus failing to capture the underlying dynamics giving rise to the observed marginals. In this paper, we propose Metric Flow Matching (MFM), a novel simulation-free framework for conditional flow matching where interpolants are approximate geodesics learned by minimizing the kinetic energy of a data-induced Riemannian metric. This way, the generative model matches vector fields on the data manifold, which corresponds to lower uncertainty and more meaningful interpolations. We prescribe general metrics to instantiate MFM, independent of the task, and test it on a suite of challenging problems including LiDAR navigation, unpaired image translation, and modeling cellular dynamics. We observe that MFM outperforms the Euclidean baselines, particularly achieving SOTA on single-cell trajectory prediction.

We conducted 22~GHz 1" JVLA imaging of 100 radio-quiet X-ray selected AGN from the Swift-BAT survey. We find AGN-driven kiloparsec-scale radio structures inconsistent with pure star formation in 11 AGN. The host galaxies of these AGN lie significantly below the star-forming main sequence, indicating suppressed star formation. While these radio structures tend to be physically small compared to the host galaxy, the global star formation rate of the host is affected. We evaluate the energetics of the radio structures interpreted first as immature radio jets, and then as consequences of an AGN-driven radiative outflow, and compare them to two criteria for successful feedback: the ability to remove the CO-derived molecular gas mass from the galaxy gravitational potential and the kinetic energy transfer to molecular clouds leading to v_cloud > sigma_*. In most cases, the jet interpretation is insufficient to provide the energy necessary to cause the star formation suppression. Conversely, the wind interpretation provides ample energy in all but one case. We conclude that it is more likely that the observed suppression of star formation in the global host galaxy is due to ISM interactions of a radiative outflow, rather than a small-scale radio jet.

We present a new, cosmologically model-independent, statistical analysis of the Pantheon+ type Ia supernovae spectroscopic dataset, improving a standard methodology adopted by Lane et al. We use the Tripp equation for supernova standardisation alone, thereby avoiding any potential correlation in the stretch and colour distributions. We compare the standard homogeneous cosmological model, i.e., ΛCDM, and the timescape cosmology which invokes backreaction of inhomogeneities. Timescape, while statistically homogeneous and isotropic, departs from average Friedmann-Lema\^ıtre-Robertson-Walker evolution, and replaces dark energy by kinetic gravitational energy and its gradients, in explaining independent cosmological observations. When considering the entire Pantheon+ sample, we find very strong evidence (ln B> 5) in favour of timescape over ΛCDM. Furthermore, even restricting the sample to redshifts beyond any conventional scale of statistical homogeneity, z > 0.075, timescape is preferred over ΛCDM with ln B> 1. These results provide evidence for a need to revisit the foundations of theoretical and observational cosmology.

In this work we propose an analytical model that reproduces the core-bounds phase of gravitational waves (GW) of Rapidly Rotating (RR) from Core Collapse Supernovae (CCSNe), as a function of three parameters, the arrival time tau, the ratio of the kinetic and potential energy beta and a phenomenological parameter alpha related to rotation and equation of state (EOS). To validate the model we use 126 waveforms from the Richers catalog Richers_2017 selected with the criteria of exploring a range of rotation profiles, and involving EOS. To quantify the degree of accuracy of the proposed model, with a particular focus on the rotation parameter beta, we show that the average Fitting Factor (FF) between the simulated waveforms with the templates is 94.4\%. In order to estimate the parameters we propose a frequentist matched filtering approach in real interferometric noise which does not require assigning any priors. We use the Matched Filter (MF) technique, where we inject a bank of templates considering simulated colored Gaussian noise and the real noise of O3L1. For example for A300w6.00\_BHBLP at 10Kpc we obtain a standar deviation of sigma = 3.34times 10^{-3} for simulated colored Gaussian noise and sigma= 1.46times 10^{-2} for real noise. On the other hand, from the asymptotic expansion of the variance we obtain the theoretical minimum error for beta at 10 kpc and optimal orientation. The estimation error in this case is from 10^{-2} to 10^{-3} as beta increases. We show that the results of the estimation error of beta for the 3-parameter space (3D) is consistent with the single-parameter space (1D), which allows us to conclude that beta is decoupled from the others two parameters.

In this work, we investigate hot, isentropic compact stars in the limiting cases of static and maximally rotating configurations, focusing on how variations in the symmetry energy of the equation of state derived from covariant density functional theory affect stellar properties. We consider both nucleonic and hyperonic matter with systematically varied symmetry energy slopes, fixed entropies per baryon s / k_B=1 and 3, and electron fractions Y_e=0.1 and Y_e=0.4, representative of conditions in binary neutron star mergers and proto-neutron stars. We compute and analyze mass--radius and moment--of--inertia--mass relations, as well as the dependence of the Keplerian (mass-shedding) frequency on mass, angular momentum, and the ratio of kinetic to gravitational energy. Furthermore, we show that several universal relations between global properties remain valid across both nucleonic and hyperonic equations of state with varying symmetry energy, both in the static and Keplerian limit, and for various combinations of the fixed entropy and electron fraction.

The paper proposes a generalization of the fully implicit energy- and charge-conserving electromagnetic particle-in-cell method to the case where the lightest type of plasma particle (electrons) is described in the drift-kinetic approximation. This allows us to remove the very strict time step limitation of this method requiring to resolve the gyrorotation of electrons. Since the drift-kinetic model is only applicable to light particles whose contribution to plasma polarization is small, this model can be further simplified by neglecting the electron polarization drift and including in Maxwell's equations, in addition to the current of gyrocenters, only the magnetization current. In order for such a hybrid model to retain conservative properties in finite-difference form, a method of self-consistent interpolation of nabla B in the mirror force from grid to particle and the magnetization vector from particle to grid is proposed. Unlike existing drift-kinetic models, this model is not limited to considering small perturbations near a given equilibrium, and therefore allows one to study the formation of plasma equilibria in regimes with a finite ratio of plasma to magnetic field pressure. Testing of the parallel code implemented in C++ using the PETSc library confirmed the fulfillment of the finite-difference laws of energy and charge conservation, as well as the ability of the model (in the drift-kinetic version for all types of particles) to correctly reproduce the diamagnetic effect and longitudinal ion-acoustic wave.

We investigate turbulent dynamics from large to sub-proton scales, the kinetic wave activity and resulting proton heating in three-dimensional hybrid-kinetic simulations of freely decaying balanced and imbalanced Alfvénic turbulence. We considered initial fluctuations with same amplitude and spectral shape but different degrees of correlation between velocity and magnetic field perturbations (i.e., normalized cross-helicity), which define the corresponding turbulent regimes. We found that our balanced turbulence simulation exhibits stronger energy dissipation and more efficient proton heating compared to the imbalanced case. On the large fluid scales, the two simulations undergo distinct nonlinear dynamic and energy cascades, leading to different spectral properties once turbulence is well developed. At sub-proton scales, fluctuations are predominantly oblique with right-hand polarization, a property common to both regimes. In contrast, only the imbalanced simulation displays substantial wave power parallel to the guide magnetic field, with clear signatures of ion-cyclotron waves. These waves are excited in regions with strong temperature anisotropy that arise during the initial nonlinear steepening of Alfvénic fluctuations, a process that simultaneously generates parallel-propagating proton beams. Furthermore, non-Maxwellian features emerge in velocity space, indicating different heating mechanisms in balanced and imbalanced regimes and providing evidence for the role of kinetic instabilities in regulating the turbulent dynamics. Overall, these results show that cross-helicity is a key parameter controlling the large-scale evolution, kinetic activity, and energy dissipation in collisionless turbulent plasmas.

Relativistic magnetic turbulence has been proposed as a process for producing nonthermal particles in high-energy astrophysics. Particle energization may be contributed by both magnetic reconnection and turbulent fluctuations, but their interplay is poorly understood. It has been suggested that during magnetic reconnection the parallel electric field dominates particle acceleration up to the lower bound of the power-law particle spectrum, but recent studies show that electric fields perpendicular to magnetic field can play an important, if not dominant role. In this study, we carry out 2D fully kinetic particle-in-cell simulations of magnetically dominated decaying turbulence in a relativistic pair plasma. For a fixed magnetization parameter sigma_0=20, we find that the injection energy {varepsilon}_{rm inj} converges with increasing domain size to {varepsilon}_{rm inj}simeq 10m_ec^2. In contrast, the power-law index, the cut-off energy, and the power-law extent increase steadily with domain size. We trace a large number of particles and evaluate the contributions of the work done by the parallel (W_parallel) and perpendicular (W_perp) electric fields during both the injection phase and the post-injection phase. We find that during the injection phase, the W_perp contribution increases with domain size, suggesting that it may eventually dominate injection for a sufficiently large domain. In contrast, both components contribute equally during the post-injection phase, insensitive to the domain size. For high energy ({varepsilon}varepsilon_{rm inj}) particles, W_perp dominates the subsequent energization. These findings may improve our understanding of nonthermal particles and their emissions in astrophysical plasmas.

While Flow Matching theoretically guarantees constant-velocity trajectories, we identify a critical breakdown in high-dimensional practice: the Velocity Deficit. We show that the MSE objective systematically underestimates velocity magnitude, causing generated samples to fail to reach the data manifold-a phenomenon we term Integration Lag. To rectify this, we propose Initial Energy Injection, instantiated via two complementary methods: the training-based Magnitude-Aware Flow Matching (MAFM) and the training-free Scale Schedule Corrector (SSC). Both are grounded in our discovery of a crucial asymmetry: velocity contraction causes harmful kinetic stagnation at the trajectory's start, yet acts as a beneficial denoising mechanism at its end. Empirically, SSC yields significant efficiency gains with zero retraining and just one line of code. On ImageNet-1k (256x256), it improves FID by 44.6% (from 13.68 to 7.58) and achieves a 5x speedup, enabling a 50-step generator (FID 7.58) to beat a 250-step baseline (FID 8.65). Furthermore, our methods generalize to Text-to-Image tasks and high-resolution generation, improving FID on MS-COCO by ~22%.

Single-photon detectors based on the superconducting transition-edge sensor are used in a number of visible to near-infrared applications, particularly for photon-number-resolving measurements in quantum information science. To be practical for large-scale spectroscopic imaging or photonic quantum computing applications, the size of visible to near-infrared transition-edge sensor arrays and their associated readouts must be increased from a few pixels to many thousands. In this manuscript, we introduce the kinetic inductance current sensor, a scalable readout technology that exploits the nonlinear kinetic inductance in a superconducting resonator to make sensitive current measurements. Kinetic inductance current sensors can replace superconducting quantum interference devices for many applications because of their ability to measure fast, high slew-rate signals, their compatibility with standard microwave frequency-division multiplexing techniques, and their relatively simple fabrication. Here, we demonstrate the readout of a visible to near-infrared transition-edge sensor using a kinetic inductance current sensor with 3.7 MHz of bandwidth. We measure a readout noise of 1.4 pA/text{Hz}, considerably below the detector noise at frequencies of interest, and an energy resolution of (0.137 pm 0.001) eV at 0.8 eV, comparable to resolutions observed with non-multiplexed superconducting quantum interference device readouts.

We introduce modal kinetic typography, which animates a vector glyph to express a semantic concept while keeping it legible. Our key idea is to build motion from the glyph's natural vibration modes. Specifically, a finite-element eigenproblem assembled from the vector outline yields the glyph's softest modes, for the whole letter and for each of its parts, allowing it to bend. The problem's zero-energy solutions, i.e., rigid translations and rotations, are applied in closed form to each part, allowing parts to also move as blocks. To animate the glyph, a frozen video diffusion model supervises only the modes' amplitudes and phases. Our modal approach addresses two weaknesses of prior work. Free-form point optimization under video score distillation (SDS) moves each point and frame independently along noisy gradients, tearing the outline and causing jitter. In contrast, our modes are smooth along the outline and driven by a few whole-cycle harmonics, which restricts these gradients to smooth, seamlessly looping motion. On the other hand, structured alternatives rely on skeletons or keypoints from category-specific priors, whereas our modes come from the glyph itself; the only prior is a list naming each letter's moving parts, generated once for the whole alphabet by a language model. In modal kinetic typography, shape and motion are disentangled by construction: a single base outline is sculpted toward the concept, and the modal drive cannot alter it, so a letter can also be animated without being reshaped. Our method produces more articulated and smoother motion than Dynamic Typography and AniClipart at comparable or better concept alignment, with less glyph tearing than Dynamic Typography, and is preferred by human raters, including in a frozen-shape setting where motion alone must carry the concept. Our results were also preferred over Astra (GPT-6) by human raters.

Modelling cold dark matter as dust makes the matter congruence geodesic and therefore removes any intrinsic dipole from the local Hubble flow. The dust model breaks down as stream crossing develops, whereas a collisionless gas accommodates stream crossing via velocity dispersion in phase space. We develop a covariant kinetic framework for this regime without assuming a background spacetime or any geometrical symmetry. Starting from the exact massive Vlasov hierarchy, we construct its energy-integrated moments and organise these by velocity weight. A self-consistent truncation at the quadrupole closes the dynamics on the matter energy density, isotropic pressure and anisotropic pressure. Their gradients generate a matter-frame 4-acceleration, for which we find an exact nonlinear solution of the momentum constraint, valid in the general case without truncation. This goes beyond previous work in which an arbitrary 4-acceleration is introduced. Velocity dispersion also sources vorticity through the curl of 4-acceleration, and we derive the nonlinear expression for vorticity evolution. We then propagate the non-geodesic matter flow into covariant local cosmography, where the 4-acceleration is the intrinsic Hubble dipole and also enters the deceleration multipoles. Our construction provides a covariant kinetic completion of dust cosmography and identifies the quantities required to test collisionless matter directly with local distance--redshift data. A companion paper specialises the hierarchy to perturbed FLRW spacetime and predicts the size of the resulting cosmographic signals.

We derive quantitatively the Harnack inequalities for kinetic integro-differential equations. This implies Hölder continuity. Our method is based on trajectories and exploits a term arising due to the non-locality in the energy estimate. This permits to quantitatively prove the intermediate value lemma for the full range of non-locality parameter s in (0, 1). Our results recover the results from Imbert and Silvestre [22] for the inhomogeneous Boltzmann equation in the non-cutoff case. The paper is self-contained.

The superconducting materials that make up an MKID have a significant effect on its performance. The T_c and normal state resistivity ρ_N of the film determine the penetration depth λ and therefore how much kinetic inductance it has. The ratio of kinetic inductance to total inductance (α), the volume of the inductor, and Q_m determines the magnitude of the response to incoming energy. The quasiparticle lifetime τ_qp is the characteristic time during which the MKID's surface impedance is modified by the incoming energy. Many materials have been explored for use in superconducting resonators and MKIDs, but that information is often not published or scattered around the literature. This chapter contains information and references on the work that has been done with thin film lithographed circuits for MKIDs over the last two decades. Note that measured material properties such as the internal loss quality factor Q_i and quasiparticle lifetime τ_qp vary significantly depending on how the MKID superconducting thin film is made and the system they are measured in, so it is best to interpret all stated values as typical but not definitive. Values are omitted in cases when there aren't enough measurements or there is too much disagreement in the literature to estimate a typical value. In order to be as complete as possible some unpublished results from the author's lab are included and can be identified by the lack of a reference. Unless noted all films are polycrystalline or amorphous.

We investigate magnetic-field amplification driven by the nonresonant hybrid (NRH or Bell) instability and its impact on cosmic-ray (CR) acceleration at reverse shocks of ultrafast outflows (UFOs) from active galactic nuclei (AGN). Previous kinetic studies by particle-in-cell simulations have demonstrated that when maximum CR energy is near the injection scale, NRH instability efficiently amplifies magnetic field up to the saturation level. However, the efficiency of NRH instability goes down as maximum energy increase since CR current is carried by escaping CRs near the maximum energy. We employ a one-dimensional MHD--CR framework solving telegraph-type diffusion--convection equations to trace the coupled evolution of CRs, magnetic fields, and shock dynamics under realistic parameters. We find a distinct transition with magnetic field strength: for weak background fields (B_{0}!lesssim!10^{-4},G), NRH instability efficiently amplifies upstream turbulence, driving a self-regulated state where E_{max} becomes independent of initial strength of magnetic turbulence. In contrast, for stronger background fields (B_{0}!gtrsim!10^{-3},G), the escaping CR current is too weak to drive NRH instability, and magnetic turbulence further decays through parametric instabilities, potentially reducing the acceleration efficiency. We give the physical interpretation for the transition and discuss conditions for PeV--EeV acceleration at UFO reverse shocks.

Simulating large, strongly interacting fermionic systems remains a major challenge for existing numerical methods. In this work, we present, for the first time, the application of neural quantum states - specifically, hidden fermion determinant states (HFDS) - to simulate the strongly interacting limit of the Fermi-Hubbard model, namely the t-J model, across the entire doping regime. We demonstrate that HFDS achieve energies competitive with matrix product states (MPS) on lattices as large as 8 times 8 sites while using several orders of magnitude fewer parameters, suggesting the potential for efficient application to even larger system sizes. This remarkable efficiency enables us to probe low-energy physics across the full doping range, providing new insights into the competition between kinetic and magnetic interactions and the nature of emergent quasiparticles. Starting from the low-doping regime, where magnetic polarons dominate the low energy physics, we track their evolution with increasing doping through analyses of spin and polaron correlation functions. Our findings demonstrate the potential of determinant-based neural quantum states with inherent fermionic sign structure, opening the way for simulating large-scale fermionic systems at any particle filling.

The statistical mechanics of Gibbs is a juxtaposition of subjective, probabilistic ideas on the one hand and objective, mechanical ideas on the other. In this paper, we follow the path set out by Jaynes, including elements added subsequently to that original work, to explore the consequences of the purely statistical point of view. We show how standard methods in the equilibrium theory could have been derived simply from a description of the available problem information. In addition, our presentation leads to novel insights into questions associated with symmetry and non-equilibrium statistical mechanics. Two surprising consequences to be explored in further work are that (in)distinguishability factors are automatically predicted from the problem formulation and that a quantity related to the thermodynamic entropy production is found by considering information loss in non-equilibrium processes. Using the problem of ion channel thermodynamics as an example, we illustrate the idea of building up complexity by successively adding information to create progressively more complex descriptions of a physical system. Our result is that such statistical mechanical descriptions can be used to create transparent, computable, experimentally-relevant models that may be informed by more detailed atomistic simulations. We also derive a theory for the kinetic behavior of this system, identifying the nonequilibrium `process' free energy functional. The Gibbs relation for this functional is a fluctuation-dissipation theorem applicable arbitrarily far from equilibrium, that captures the effect of non-local and time-dependent behavior from transient driving forces. Based on this work, it is clear that statistical mechanics is a general tool for constructing the relationships between constraints on system information.

Macroscopic entropy production σ^{(tot)} in the general nonlinear isothermal chemical reaction system with mass action kinetics is decomposed into a free energy dissipation and a house-keeping heat: σ^{(tot)}=σ^{(fd)}+σ^{(hk)}; σ^{(fd)}=-rd A/rd t, where A is a generalized free energy function. This yields a novel nonequilibrium free energy balance equation rd A/rd t=-σ^{(tot)}+σ^{(hk)}, which is on a par with celebrated entropy balance equation rd S/rd t=σ^{(tot)}+η^{(ex)} where η^{(ex)} is the rate of entropy exchange with the environment.For kinetic systems with complex balance, σ^{(fd)} and σ^{(hk)} are the macroscopic limits of stochastic free energy dissipation and house-keeping heat, which are both nonnegative, in the Delbrück-Gillespie description of the stochastic chemical kinetics.Therefore, we show that a full kinetic and thermodynamic theory of chemical reaction systems that transcends mesoscopic and macroscopic levels emerges.

Generative sequence models are often trained to plan motion in physical domains, from robotics to mechanical simulations. When constructing a dataset to train such a model, engineers may curate demonstrations to specify how trajectories should be distributed over a physical quantity like travel distance or mechanical energy. For example, a roboticist building a maze navigation agent might choose demonstrations whose travel distances cover a fixed range uniformly, hoping to constrain the agent's expected power usage. We find that standard deep learning can violate this intent: each generated trajectory can seem plausible on its own, but the aggregate distribution over the physical quantity is wrong. We call this failure physical misgeneralization, and develop an account of its mechanism. Using controlled synthetic tasks, we show that physical misgeneralization arises when local errors typical of the model class propagate through the physical measurement to shift the recovered distribution. We estimate these errors with a data deviation kernel, and we use it to predict which physical quantities gain or lose mass in both our synthetic and more applied maze navigation and double-pendulum motion tasks. Finally, our mechanistic interpretation helps identify which mitigation strategies are structurally promising, and we use it to propose a kernel-informed intervention.

Nuclear fusion plays a pivotal role in the quest for reliable and sustainable energy production. A major roadblock to viable fusion power is understanding plasma turbulence, which significantly impairs plasma confinement, and is vital for next-generation reactor design. Plasma turbulence is governed by the nonlinear gyrokinetic equation, which evolves a 5D distribution function over time. Due to its high computational cost, reduced-order models are often employed in practice to approximate turbulent transport of energy. However, they omit nonlinear effects unique to the full 5D dynamics. To tackle this, we introduce GyroSwin, the first scalable 5D neural surrogate that can model 5D nonlinear gyrokinetic simulations, thereby capturing the physical phenomena neglected by reduced models, while providing accurate estimates of turbulent heat transport.GyroSwin (i) extends hierarchical Vision Transformers to 5D, (ii) introduces cross-attention and integration modules for latent 3Dleftrightarrow5D interactions between electrostatic potential fields and the distribution function, and (iii) performs channelwise mode separation inspired by nonlinear physics. We demonstrate that GyroSwin outperforms widely used reduced numerics on heat flux prediction, captures the turbulent energy cascade, and reduces the cost of fully resolved nonlinear gyrokinetics by three orders of magnitude while remaining physically verifiable. GyroSwin shows promising scaling laws, tested up to one billion parameters, paving the way for scalable neural surrogates for gyrokinetic simulations of plasma turbulence.

Important classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on tracking only low-order moments of the kinetic model serve as an efficient alternative, but typically require closure assumptions to model unrepresented higher-order moments. In this study, we present a learning framework based on neural networks that exploit rotational symmetries in the closure terms to learn accurate closure models directly from kinetic simulations. The data-driven closures demonstrate excellent a-priori predictions comparable to the state-of-the-art Bingham closure. We provide a systematic comparison between different neural network architectures and demonstrate that nonlocal effects can be safely ignored to model the closure terms. We develop an active learning strategy that enables accurate prediction of the closure terms across the entire parameter space using a single neural network without the need for retraining. We also propose a data-efficient training procedure based on time-stepping constraints and a differentiable pseudo-spectral solver, which enables the learning of stable closures suitable for a-posteriori inference. The coarse-grained simulations equipped with data-driven closure models faithfully reproduce the mean velocity statistics, scalar order parameters, and velocity power spectra observed in simulations of the kinetic theory. Our differentiable framework also facilitates the estimation of parameters in coarse-grained descriptions conditioned on data.

Future planetary exploration rovers must operate for extended durations on hybrid power inputs that combine steady radioisotope thermoelectric generator (RTG) output with variable solar photovoltaic (PV) availability. While energy-aware planning has been studied for aerial and underwater robots under battery limits, few works for ground rovers explicitly model power flow or enforce instantaneous power constraints. Classical terrain-aware planners emphasize slope or traversability, and trajectory optimization methods typically focus on geometric smoothness and dynamic feasibility, neglecting energy feasibility. We present an energy-constrained trajectory planning framework that explicitly integrates physics-based models of translational, rotational, and resistive power with baseline subsystem loads, under hybrid RTG-solar input. By incorporating both cumulative energy budgets and instantaneous power constraints into SE(2)-based polynomial trajectory optimization, the method ensures trajectories that are simultaneously smooth, dynamically feasible, and power-compliant. Simulation results on lunar-like terrain show that our planner generates trajectories with peak power within 0.55 percent of the prescribed limit, while existing methods exceed limits by over 17 percent. This demonstrates a principled and practical approach to energy-aware autonomy for long-duration planetary missions.

Kinetic equations are used to model a wide range of phenomena important for real-world applications. Their applications span astrophysics, nuclear physics, engineering, and social sciences. Due to their high-dimensional phase space, modelling and quantifying uncertainties, relevant for applications, poses a significant challenge even for modern computing infrastructure. In recent years, dynamical low-rank approximation (DLRA) has gained popularity for making fine grid simulations of high-dimensional problems feasible by evolving the solution of a time-dependent PDE as a low-rank factorization. This reduces the computational and memory requirements significantly. In this work, we propose a low-rank multilevel Monte Carlo estimator for kinetic equations based on a probabilistic rank-adaptive DLRA time integrator. The level hierarchy of the low-rank multilevel estimator is constructed through spatial refinement and by ensuring that the low-rank error remains below the spatial discretization error. We demonstrate the efficacy of the estimator through several numerical experiments from radiation transport, radiation therapy, and shallow water flow.

Simulation is a major computational expense in HEP, and calorimeter simulation in particular drives the overall energy cost of our physics analyses. Future detectors will contain more finely grained calorimeters than ever, and their data analyses will demand unprecedented simulated statistics. Fast generative models redefine what is possible, producing simulations 100 times more efficiently. This article addresses Jevons' paradox in our field and considers the importance of realistic metrics in achieving "true" efficiency.

We investigate the time evolution of the Boltzmann entropy of a dilute gas of N particles, N>>1, as it undergoes a free expansion doubling its volume. The microstate of the system, a point in the 4N dimensional phase space, changes in time via Hamiltonian dynamics. Its entropy, at any time t, is given by the logarithm of the phase space volume of all the microstates giving rise to its macrostate at time t. The macrostates that we consider are defined by coarse graining the one-particle phase space into cells Δ_α. The initial and final macrostates of the system are equilibrium states in volumes V and 2V, with the same energy E and particle number N. Their entropy per particle is given, for sufficiently large systems, by the thermodynamic entropy as a function of the particle and energy density, whose leading term is independent of the size of the Δ_α. The intermediate (non-equilibrium) entropy does however depend on the size of the cells Δ_α. Its change with time is due to (i) dispersal in physical space from free motion and to (ii) the collisions between particles which change their velocities. The former depends strongly on the size of the velocity coarse graining Δv: it produces entropy at a rate proportional to Δv. This dependence is investigated numerically and analytically for a dilute two-dimensional gas of hard discs. It becomes significant when the mean free path between collisions is of the same order or larger than the length scale of the initial spatial inhomogeneity. In the opposite limit, the rate of entropy production is essentially independent of Δv and is given by the Boltzmann equation for the limit Δvrightarrow 0. We show that when both processes are active the time dependence of the entropy has a scaling form involving the ratio of the rates of its production by the two processes.

Energy-Based Models (EBMs) have emerged as a powerful framework in the realm of generative modeling, offering a unique perspective that aligns closely with principles of statistical mechanics. This review aims to provide physicists with a comprehensive understanding of EBMs, delineating their connection to other generative models such as Generative Adversarial Networks (GANs), Variational Autoencoders (VAEs), and Normalizing Flows. We explore the sampling techniques crucial for EBMs, including Markov Chain Monte Carlo (MCMC) methods, and draw parallels between EBM concepts and statistical mechanics, highlighting the significance of energy functions and partition functions. Furthermore, we delve into state-of-the-art training methodologies for EBMs, covering recent advancements and their implications for enhanced model performance and efficiency. This review is designed to clarify the often complex interconnections between these models, which can be challenging due to the diverse communities working on the topic.

Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, applications in physics additionally require smooth energies to compute forces and higher-order derivatives. Furthermore, such densities are often defined on non-trivial topologies. A recent example are Boltzmann Generators for generating 3D-structures of peptides and small proteins. These generative models leverage the space of internal coordinates (dihedrals, angles, and bonds), which is a product of hypertori and compact intervals. In this work, we introduce a class of smooth mixture transformations working on both compact intervals and hypertori. Mixture transformations employ root-finding methods to invert them in practice, which has so far prevented bi-directional flow training. To this end, we show that parameter gradients and forces of such inverses can be computed from forward evaluations via the inverse function theorem. We demonstrate two advantages of such smooth flows: they allow training by force matching to simulation data and can be used as potentials in molecular dynamics simulations.

Using conservation of energy - a fundamental property of closed classical and quantum mechanical systems - we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol^{-1} for energies and 1 kcal mol^{-1} textÅ^{-1} for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods.

Recently, machine learning Hamiltonian (MLH) models have gained traction as fast approximations of electronic structures such as orbitals and electron densities, while also enabling direct evaluation of energies and forces from their predictions. However, despite their physical grounding, existing Hamiltonian models are evaluated mainly by reconstruction metrics, leaving it unclear how well they perform as energy-force predictors. We address this gap with a benchmark that computes energies and forces directly from predicted Hamiltonians. Within this framework, we propose QHFlow2, a state-of-the-art Hamiltonian model with an SO(2)-equivariant backbone and a two-stage edge update. QHFlow2 achieves 40% lower Hamiltonian error than the previous best model with fewer parameters. Under direct evaluation on MD17/rMD17, it is the first Hamiltonian model to reach NequIP-level force accuracy while achieving up to 20times lower energy MAE. On QH9, QHFlow2 reduces energy error by up to 20times compared to MACE. Finally, we demonstrate that QHFlow2 exhibits consistent scaling behavior with respect to model capacity and data, and that improvements in Hamiltonian accuracy effectively translate into more accurate energy and force computations.

The aim of the present work is to investigate the influence of the realistic model parameters on the equipartition of energy in a vibrofluidized system. To achieve this, a three-dimensional vertically vibrated granular system consisting of spherical particles is simulated using the discrete element method (DEM) using the open-source software LAMMPS. Interparticle and wall-particle interactions are determined using the linear-spring dashpot model. Simulations are performed for nearly perfectly smooth to nearly perfectly rough particles. Two different values for the ratio of the tangential to normal spring stiffness coefficient kappa (2/7 and 3/4) are chosen. Non-equipartition of energy between the translational and rotational modes is observed for all realistic values in the parametric range.

We introduce a deep neural network-based numerical method for solving kinetic Fokker Planck equations, including both linear and nonlinear cases. Building upon the conservative dissipative structure of Vlasov-type equations, we formulate a class of generalized minimizing movement schemes as iterative constrained minimization problems: the conservative part determines the constraint set, while the dissipative part defines the objective functional. This leads to an analog of the classical Jordan-Kinderlehrer-Otto (JKO) scheme for Wasserstein gradient flows, and we refer to it as the kinetic JKO scheme. To compute each step of the kinetic JKO iteration, we introduce a particle-based approximation in which the velocity field is parameterized by deep neural networks. The resulting algorithm can be interpreted as a kinetic-oriented neural differential equation that enables the representation of high-dimensional kinetic dynamics while preserving the essential variational and structural properties of the underlying PDE. We validate the method with extensive numerical experiments and demonstrate that the proposed kinetic JKO-neural ODE framework is effective for high-dimensional numerical simulations.

Scalable and cost-effective solutions to renewable energy storage are essential to addressing the world's rising energy needs while reducing climate change. As we increase our reliance on renewable energy sources such as wind and solar, which produce intermittent power, storage is needed to transfer power from times of peak generation to peak demand. This may require the storage of power for hours, days, or months. One solution that offers the potential of scaling to nation-sized grids is the conversion of renewable energy to other fuels, such as hydrogen or methane. To be widely adopted, this process requires cost-effective solutions to running electrochemical reactions. An open challenge is finding low-cost electrocatalysts to drive these reactions at high rates. Through the use of quantum mechanical simulations (density functional theory), new catalyst structures can be tested and evaluated. Unfortunately, the high computational cost of these simulations limits the number of structures that may be tested. The use of machine learning may provide a method to efficiently approximate these calculations, leading to new approaches in finding effective electrocatalysts. In this paper, we provide an introduction to the challenges in finding suitable electrocatalysts, how machine learning may be applied to the problem, and the use of the Open Catalyst Project OC20 dataset for model training.

Achieving stable and energy-efficient locomotion is essential for humanoid robots to operate continuously in real-world applications. Existing MPC and RL approaches often rely on energy-related metrics embedded within a multi-objective optimization framework, which require extensive hyperparameter tuning and often result in suboptimal policies. To address these challenges, we propose ECO (Energy-Constrained Optimization), a constrained RL framework that separates energy-related metrics from rewards, reformulating them as explicit inequality constraints. This method provides a clear and interpretable physical representation of energy costs, enabling more efficient and intuitive hyperparameter tuning for improved energy efficiency. ECO introduces dedicated constraints for energy consumption and reference motion, enforced by the Lagrangian method, to achieve stable, symmetric, and energy-efficient walking for humanoid robots. We evaluated ECO against MPC, standard RL with reward shaping, and four state-of-the-art constrained RL methods. Experiments, including sim-to-sim and sim-to-real transfers on the kid-sized humanoid robot BRUCE, demonstrate that ECO significantly reduces energy consumption compared to baselines while maintaining robust walking performance. These results highlight a substantial advancement in energy-efficient humanoid locomotion. All experimental demonstrations can be found on the project website: https://sites.google.com/view/eco-humanoid.

In this work, we propose a training-free, trajectory-based controllable T2I approach, termed TraDiffusion. This novel method allows users to effortlessly guide image generation via mouse trajectories. To achieve precise control, we design a distance awareness energy function to effectively guide latent variables, ensuring that the focus of generation is within the areas defined by the trajectory. The energy function encompasses a control function to draw the generation closer to the specified trajectory and a movement function to diminish activity in areas distant from the trajectory. Through extensive experiments and qualitative assessments on the COCO dataset, the results reveal that TraDiffusion facilitates simpler, more natural image control. Moreover, it showcases the ability to manipulate salient regions, attributes, and relationships within the generated images, alongside visual input based on arbitrary or enhanced trajectories.

In reinforcement learning for legged robot locomotion, crafting effective reward strategies is crucial. Pre-defined gait patterns and complex reward systems are widely used to stabilize policy training. Drawing from the natural locomotion behaviors of humans and animals, which adapt their gaits to minimize energy consumption, we propose a simplified, energy-centric reward strategy to foster the development of energy-efficient locomotion across various speeds in quadruped robots. By implementing an adaptive energy reward function and adjusting the weights based on velocity, we demonstrate that our approach enables ANYmal-C and Unitree Go1 robots to autonomously select appropriate gaits, such as four-beat walking at lower speeds and trotting at higher speeds, resulting in improved energy efficiency and stable velocity tracking compared to previous methods using complex reward designs and prior gait knowledge. The effectiveness of our policy is validated through simulations in the IsaacGym simulation environment and on real robots, demonstrating its potential to facilitate stable and adaptive locomotion.

Generative Artificial Intelligence (AI) has rapidly advanced the field of computer vision by enabling machines to create and interpret visual data with unprecedented sophistication. This transformation builds upon a foundation of generative models to produce realistic images, videos, and 3D/4D content. Conventional generative models primarily focus on visual fidelity while often neglecting the physical plausibility of the generated content. This gap limits their effectiveness in applications that require adherence to real-world physical laws, such as robotics, autonomous systems, and scientific simulations. As generative models evolve to increasingly integrate physical realism and dynamic simulation, their potential to function as "world simulators" expands. Therefore, the field of physics-aware generation in computer vision is rapidly growing, calling for a comprehensive survey to provide a structured analysis of current efforts. To serve this purpose, the survey presents a systematic review, categorizing methods based on how they incorporate physical knowledge, either through explicit simulation or implicit learning. It also analyzes key paradigms, discusses evaluation protocols, and identifies future research directions. By offering a comprehensive overview, this survey aims to help future developments in physically grounded generation for computer vision. The reviewed papers are summarized at https://tinyurl.com/Physics-Aware-Generation.

In this paper I apply newly-proposed information-theoretic principles to thermodynamic work extraction. I show that if it is possible to extract work deterministically from a physical system prepared in any one of a set of states, then those states must be distinguishable from one another. This result is formulated independently of scale and of particular dynamical laws; it also provides a novel connection between thermodynamics and information theory, established via the law of conservation of energy (rather than the second law of thermodynamics). Albeit compatible with these conclusions, existing thermodynamics approaches cannot provide a result of such generality, because they are scale-dependent (relying on ensembles or coarse-graining) or tied to particular dynamical laws. This paper thus provides a broader foundation for thermodynamics, with implications for the theory of von Neumann's universal constructor

Active matter systems, from self-propelled colloids to motile bacteria, are characterized by the conversion of free energy into useful work at the microscopic scale. These systems generically involve physics beyond the reach of equilibrium statistical mechanics, and a persistent challenge has been to understand the nature of their nonequilibrium states. The entropy production rate and the magnitude of the steady-state probability current provide quantitative ways to do so by measuring the breakdown of time-reversal symmetry and the strength of nonequilibrium transport of measure. Yet, their efficient computation has remained elusive, as they depend on the system's unknown and high-dimensional probability density. Here, building upon recent advances in generative modeling, we develop a deep learning framework that estimates the score of this density. We show that the score, together with the microscopic equations of motion, gives direct access to the entropy production rate, the probability current, and their decomposition into local contributions from individual particles, spatial regions, and degrees of freedom. To represent the score, we introduce a novel, spatially-local transformer-based network architecture that learns high-order interactions between particles while respecting their underlying permutation symmetry. We demonstrate the broad utility and scalability of the method by applying it to several high-dimensional systems of interacting active particles undergoing motility-induced phase separation (MIPS). We show that a single instance of our network trained on a system of 4096 particles at one packing fraction can generalize to other regions of the phase diagram, including systems with as many as 32768 particles. We use this observation to quantify the spatial structure of the departure from equilibrium in MIPS as a function of the number of particles and the packing fraction.

We present a randomized O(n^{3.5})-time algorithm for computing optimal energetic paths for an electric car between all pairs of vertices in an n-vertex directed graph with positive and negative costs. The optimal energetic paths are finite and well-defined even if the graph contains negative-cost cycles. This makes the problem much more challenging than standard shortest paths problems. More specifically, for every two vertices s and~t in the graph, the algorithm computes α_B(s,t), the maximum amount of charge the car can reach~t with, if it starts at~s with full battery, i.e., with charge~B, where~B is the capacity of the battery. In the presence of negative-cost cycles, optimal paths are not necessarily simple. For dense graphs, our new O(n^{3.5}) time algorithm improves on a previous O(mn^{2})-time algorithm of Dorfman et al. [ESA 2023] for the problem. The cost of an arc is the amount of charge taken from the battery of the car when traversing the arc. The charge in the battery can never exceed the capacity~B of the battery and can never be negative. An arc of negative cost may correspond, for example, to a downhill road segment, while an arc with a positive cost may correspond to an uphill segment. A negative-cost cycle, if one exists, can be used in certain cases to charge the battery to its capacity. This makes the problem more interesting and more challenging. Negative-cost cycles may arise when certain road segments have magnetic charging strips, or when the electric car has solar panels. Combined with a result of Dorfman et al. [SOSA 2024], this also provides a randomized O(n^{3.5})-time algorithm for computing minimum-cost paths between all pairs of vertices in an n-vertex graph when the battery can be externally recharged, at varying costs, at intermediate vertices.

Lagrangian turbulence lies at the core of numerous applied and fundamental problems related to the physics of dispersion and mixing in engineering, bio-fluids, atmosphere, oceans, and astrophysics. Despite exceptional theoretical, numerical, and experimental efforts conducted over the past thirty years, no existing models are capable of faithfully reproducing statistical and topological properties exhibited by particle trajectories in turbulence. We propose a machine learning approach, based on a state-of-the-art diffusion model, to generate single-particle trajectories in three-dimensional turbulence at high Reynolds numbers, thereby bypassing the need for direct numerical simulations or experiments to obtain reliable Lagrangian data. Our model demonstrates the ability to reproduce most statistical benchmarks across time scales, including the fat-tail distribution for velocity increments, the anomalous power law, and the increased intermittency around the dissipative scale. Slight deviations are observed below the dissipative scale, particularly in the acceleration and flatness statistics. Surprisingly, the model exhibits strong generalizability for extreme events, producing events of higher intensity and rarity that still match the realistic statistics. This paves the way for producing synthetic high-quality datasets for pre-training various downstream applications of Lagrangian turbulence.

Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling. In this work, we generate a big dataset of structure-property relationships for strut-based lattices. The dataset is made available to the community which can fuel the development of methods anchored in physical principles for the fitting of fourth-order tensors. In addition, we present a higher-order GNN model trained on this dataset. The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy. We compare the model to non-equivariant models based on a number of error metrics and demonstrate its benefits in terms of predictive performance and reduced training requirements. Finally, we demonstrate an example application of the model to an architected material design task. The methods which we developed are applicable to fourth-order tensors beyond elasticity such as piezo-optical tensor etc.

Modern generative models typically rely on an adversarial critic, a prescribed noise-to-data path, or an autoregressive factorization. Instead, we show that a proper distributional energy can induce sample-level motion and provide direct regression supervision for a one-step generator. Three-Body Scattering Modeling (TBSM) for generation turns the energy distance into a constant-size per-projectile interaction: each projectile is attracted toward one real source and repelled from one independently generated source. Conditioned on the projectile and its condition, its expectation equals the 2-Wasserstein gradient-flow velocity of frac12D_E^2(P_θ,Q). A batch of B frozen-target events yields O(B) sample-level losses, each using one reference for its condition instead of the minibatch-wide all-pairs field used by methods such as Drifting Models. Tracking this conditional expectation online can reduce field noise. Using scattering in frozen image features, TBSM trains one-step generators on ImageNet-256, achieving FID{}=2.23 with pixel-space PixelDiT-XL and FID{}=1.63 with latent-space DiT-XL at NFE{}=1. We provide a design map relating diffusion-related supervision, Drift-like dynamics, and GAN-like objectives. These results establish tracked scattering as a route to high-dimensional one-step generation. Code: https://github.com/sp12138/TBSM.

The transfer of a star's angular momentum to its atmosphere is a topic of considerable and wide-ranging interest in astrophysics. This letter considers the effect of kinetic and magnetic turbulence on the solar wind's angular momentum. The effects are quantified in a theoretical framework that employs Reynolds-averaged mean field magnetohydrodynamics, allowing for fluctuations of arbitrary amplitude. The model is restricted to the solar equatorial (\(r-\phi\)) plane with axial symmetry, which permits the effect of turbulence to be expressed in analytical form as a modification to the classic Weber & Davis (1967) theory, dependent on the \(r,\phi\) shear component of the Reynolds stress tensor. A solar wind simulation with turbulence transport modeling and Parker Solar Probe observations at the Alfv\'en surface are employed to quantify this turbulent modification to the solar wind's angular momentum, which is found to be ~ 3% - 10% and tends to be negative. Implications for solar and stellar rotational evolution are discussed.

Building upon a thermodynamic formalism, we show that self-gravitating systems in hydrostatic equilibrium with a uniform density are maximal entropy states when submitted to perturbations which are slow on dynamical timescale. We coin this phenomenon "thermodynamic blocking", given its similarity with the more general "kinetic blocking". This result underlines the importance of the thermodynamic formalism which proves useful when kinetic equations break down.

The interstellar medium (ISM) is all but empty. To date, more than 300 molecules have already been discovered. Because of the extremely low temperature, the gas-phase chemistry is dominated by barrierless exothermic reactions of radicals and ions. However, several abundant molecules and organic molecules cannot be produced efficiently by gas-phase reactions. To explain the existence of such molecules in the ISM, gas-surface interactions between small molecules and dust particles covered with amorphous solid water (ASW) mantles must be considered. In general, surface processes such as adsorption, diffusion, desorption, and chemical reactions can be linked to the binding energy of molecules to the surface. Hence, a lot of studies have been performed to identify the binding energies of interstellar molecules on ASW surfaces. Cosmic radiation and free electrons may induce a negative charge on the dust particles, and the binding energies may be affected by this charge. In this study, we calculate the binding energies of CO, CH4, and NH3, on neutral and charged ASW surfaces using DFT calculations. Our results indicate that CO can interact with the surface charge, increasing its binding energy. In contrast, the binding energy of CH4 remains unchanged in the presence of surface charge, and that of NH3 typically decreases.

Simulating showers of particles in highly-granular calorimeters is a key frontier in the application of machine learning to particle physics. Achieving high accuracy and speed with generative machine learning models can enable them to augment traditional simulations and alleviate a major computing constraint. Recent developments have shown how diffusion based generative shower simulation approaches that do not rely on a fixed structure, but instead generate geometry-independent point clouds, are very efficient. We present a transformer-based extension to previous architectures which were developed for simulating electromagnetic showers in the highly granular electromagnetic calorimeter of the International Large Detector, ILD. The attention mechanism now allows us to generate complex hadronic showers with more pronounced substructure across both the electromagnetic and hadronic calorimeters. This is the first time that machine learning methods are used to holistically generate showers across the electromagnetic and hadronic calorimeter in highly granular imaging calorimeter systems.

Transfer learning has become crucial in computer vision tasks due to the vast availability of pre-trained deep learning models. However, selecting the optimal pre-trained model from a diverse pool for a specific downstream task remains a challenge. Existing methods for measuring the transferability of pre-trained models rely on statistical correlations between encoded static features and task labels, but they overlook the impact of underlying representation dynamics during fine-tuning, leading to unreliable results, especially for self-supervised models. In this paper, we present an insightful physics-inspired approach named PED to address these challenges. We reframe the challenge of model selection through the lens of potential energy and directly model the interaction forces that influence fine-tuning dynamics. By capturing the motion of dynamic representations to decline the potential energy within a force-driven physical model, we can acquire an enhanced and more stable observation for estimating transferability. The experimental results on 10 downstream tasks and 12 self-supervised models demonstrate that our approach can seamlessly integrate into existing ranking techniques and enhance their performances, revealing its effectiveness for the model selection task and its potential for understanding the mechanism in transfer learning. Code will be available at https://github.com/lixiaotong97/PED.