Daily Papers

Monodisperse, purely repulsive, hard spheres (MPRHS) are an important model system for mechanistically exploring phase behavior in atomic systems and colloids. Since the 1940s, phase transitions in these systems have been obtained via simulation, theory, and experiments. But there is a gap in this literature: despite decades of reports of phase transition from one pure state to another, no computational studies report spontaneous phase separation into coexisting domains of liquid and crystal regions. This gap owes its origin to the underlying mechanism of entropically-driven phase separation in MPRHS - the competition between short-range entropy and long-range entropy. Frenkel proposed that spontaneous phase separation in simulations of up to 1,000,000 particles would require more than 317,000,000 years to sample enough microstates to converge to phase separated macrostate. Some brute-force simulations do show brief spontaneous coexistence but a metastable crystal or fluid subsequently overtakes the system. To bypass these difficulties, many studies use seeding, gravity, or direct construction of liquid and solid phases to study interfacial energy and nucleation rates of MPRHS systems. WCA potentials have also been used to bypass metastability, where softness provides free volume, lowers osmotic pressure and the energy barrier. It is argued that the transition path taken in bypassing metastability is mechanistically the same as without triggers. But as acknowledged by Alder & Wainwright, explicit observation of spontaneous coexistence is central to computational prediction of first-order transition. Such observation would provide satisfying demonstration of Frenkel's entropy exchange mechanism. We explore literature revealing these interesting behaviors and conclude that computational demonstration of Frenkel's mechanism for MPRHS awaits large systems with careful hardness perturbations.

Entropically driven fluid-solid transitions in monodisperse, purely repulsive hard spheres (MPRHS) are well established in theory, simulation, and experiment for atomic and colloidal systems. For MPRHS, however, coexistence is usually located via bulk free-energy calculations; the underlying microscopic balance between configurational and vibrational entropy is left implicit. Frenkel clarified this mechanism explicitly as an exchange of long-range configurational entropy for short-range vibrational entropy, but in the pristine MPRHS limit the nucleation barrier near coexistence is so high that phase separation is predicted only on astronomical time scales. Consistent with this, even unbiased simulations do not show spontaneous, equilibrium fluid-crystal coexistence; transient mixtures are mostly overtaken by a single phase; observed coexistence is still algorithmically-driven. Nearly hard-sphere colloid experiments do observe fluid-crystal coexistence, but always in the presence of unavoidable triggers such as gravity, walls, and polydispersity. We treat the hard-sphere phase diagram as settled and ask how the entropic exchange mechanism can be revealed in nearly hard-sphere colloidal simulations. We probe the mechanism on finite time scales by introducing minimal perturbations that trigger phase separation: small reductions in hardness that increase locally accessible free volume (and thus gently increase vibrational entropy), and 2-4% distributed crystal seeds. These perturbations produce coexisting fluid and crystal domains with crystal fraction, phase envelope and osmotic pressure that, with systematically increasing particle hardness, approach the hard-sphere limit. These results demonstrate that slight enhancements to vibrational entropy provide a dynamically accessible route to realizing the long-range/short-range entropy exchange required for phase separation.

Self-propelled particles that only repel one another can still separate into a dense and a dilute phase, a process known as motility-induced phase separation (MIPS). In a clean system the domains coarsen like any conserved mixture: domains grow as ell(t)sim t^{1/3}. Living and synthetic swimmers, however, move through rough, porous, or patterned surroundings. Using large-scale simulations of active Brownian particles, we ask how frozen heterogeneity changes MIPS coarsening. We introduce disorder in two ways, as a quenched random force field acting on particle positions and as a quenched random torque field acting on their orientations. Both destroy Lifshitz-Slyozov growth. A transient power law with a disorder-dependent exponent gives way to activated dynamics in which the effective dynamic exponent grows without bound and domains grow at most logarithmically. The crossover obeys the scaling form known from the random-field Ising model, and the domain morphology depends on disorder strength, so superuniversality fails. The two kinds of disorder act through different mechanisms. Random forces trap particles in the sinks of a random drift field once the drift beats self-propulsion. Random torques act as a sign-random, quenched chirality that erodes persistence and lowers the local Péclet number toward its critical value. Our results show that quenched disorder is a relevant perturbation for the kinetics of active phase separation and connect MIPS coarsening to the physics of pinned interfaces in disordered magnets.

Moist convection is a physical process where the latent heat released by condensation acts as a buoyancy source that can enhance or even trigger an overturning convective instability. Since the saturation temperature often decreases with height, condensation releases latent heat preferentially in regions of upflow. Due to this inhomogeneous heat source, moist convection may be more sensitive to changes in flow morphology, such as those induced by rotation, than dry Rayleigh-B\'enard convection. In order to study the effects of rotation on flows driven by latent heat release, we present a suite of numerical simulations that solve the Rainy-B\'enard equations (Vallis et al. 2019). We identify three morphological regimes: a cellular regime and a plume regime broadly analogous to those found in rotating Rayleigh B\'enard convection, and a novel funnel regime that lacks a clear analog within the regimes exhibited by dry convection. We measure energy fluxes through the system and report rotational scalings of the Reynolds and moist Nusselt numbers. We find that moist static energy transport, as measured by a moist Nusselt number, is significantly enhanced in the funnel regime without a corresponding enhancement in Reynolds number, indicating that this funnel regime produces structures with more favorable correlations between the temperature and vertical velocity.

Collectives of actively-moving particles can spontaneously separate into dilute and dense phases -- a fascinating phenomenon known as motility-induced phase separation (MIPS). MIPS is well-studied for randomly-moving particles with no directional bias. However, many forms of active matter exhibit collective chemotaxis, directed motion along a chemical gradient that the constituent particles can generate themselves. Here, using theory and simulations, we demonstrate that collective chemotaxis strongly competes with MIPS -- in some cases, arresting or completely suppressing phase separation, or in other cases, generating fundamentally new dynamic instabilities. We establish quantitative principles describing this competition, thereby helping to reveal and clarify the rich physics underlying active matter systems that perform chemotaxis, ranging from cells to robots.

Accurate short-term warnings for extreme precipitation are critical for global disaster mitigation but are hindered by a persistent predictability barrier at the 2-6 hour horizon -- the "nowcasting gray zone." In this window, traditional observation-based extrapolation fails due to error accumulation, while numerical weather prediction is computationally too slow to resolve storm-scale dynamics. Recent generative AI approaches attempt to bridge this gap by decomposing precipitation into separate deterministic advection and stochastic diffusion components. However, this decomposition can sever fundamental causal links between entangled atmospheric processes, such as the dynamic initiation of convection triggered by boundary advection. Here we present StormDiT, a unified generative model that treats weather evolution as a holistic spatiotemporal problem, learning the coupled physics of the gray zone without human-imposed structural priors. Trained on a massive dataset of 7,720 precipitation events from China, our model achieves a breakthrough in long-horizon stability. On a heavy-rainfall test set, it maintains skillful prediction for strong convection (ge 35 dBZ) with a Critical Success Index (CSI) near 0.2 across the full 6-hour forecast at 6-minute resolution. Crucially, the model exhibits superior probabilistic calibration, accurately quantifying operational risks. On the public SEVIR benchmark, our unified paradigm more than doubles the state-of-the-art 1-hour performance for heavy rain and establishes the first robust baseline for 3-hour forecasting. Furthermore, interpretability analysis reveals that the model attends to non-local physical precursors, such as outflow boundaries, explicitly validating its emergent understanding of convective organization.

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.

Understanding controls on Mesoscale Convective Systems (MCSs) is critical for predicting rainfall extremes across scales. Spatial variability of soil moisture (SM) presents such a control, with ~200km dry patches in the Sahel observed to intensify mature MCSs. Here we test MCS sensitivity to spatial scales of surface heterogeneity using a framework of 78 Unified Model experiments initialised from scale-filtered SM. We demonstrate the control of SM heterogeneity on MCS populations, and the mechanistic chain via which spatial variability propagates through surface fluxes to convective boundary layer development and storm environments. When all sub-synoptic SM variability is homogenised, peak MCS counts drop by 23%, whereas maintaining small-scale variability maintains primary initiation rates, reducing the drop in MCS totals. In sensitivity experiments, boundary layer development prior to MCSs is similar to that over mesoscale dry SM anomalies, but driven by cloud-free slots of increased shortwave radiation. This reduces storm numbers and potential predictability.

Most nowcasting systems, built on radar reflectivity, focus on current precipitation, ignoring the atmospheric precursors -- such as low-level convergence, turbulent eddies, and latent heating -- that offer a fleeting window to foresee storm birth. We introduce MeteoLogist, a physics-inspired radar intelligence framework that models the full life cycle of convection -- from its precursors to organized storm evolution. However, exploiting these precursors is non-trivial: they originate from multiple meteorological drivers -- thermodynamic, kinematic, and microphysical -- that evolve asynchronously (C1) and remain spatially fragmented (C2). To this end, MeteoLogist designs three tightly integrated components. The Physics-Tailored Encoders process radar echoes according to their intrinsic physical scales and semantics, forming thermodynamic, kinematic, and microphysical streams that capture distinct dynamical regimes. The Temporal-Phase Aligner addresses C1 by leveraging causal temporal attention to capture when and how different drivers interact and activate. The Cross-Field Spatial Aggregator addresses C2 through cross-regional fusion, aligning weak and scattered precursors across neighboring cells to expose upstream triggers and enforce spatial coherence. Evaluated on 3D-NEXRAD (2020--2022, US-wide), MeteoLogist boosts high-impact detection (CSI40) by +9.7% over strong baselines, and achieves a remarkable 37.67% gain during the storm-developing stage -- demonstrating true foresight in sensing storms before they appear. The code can be found in the supplementary material.

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

Sonification -- the mapping of data to non-speech audio -- offers an underexplored channel for representing complex dynamical systems. We treat El Niño-Southern Oscillation (ENSO), a canonical example of low-dimensional climate chaos, as a test case for culturally-situated sonification evaluated through complex systems diagnostics. Using parameter-mapping sonification of the Niño 3.4 sea surface temperature anomaly index (1870--2024), we encode ENSO variability into two traditional Javanese gamelan pentatonic systems (pelog and slendro) across four composition strategies, then analyze the resulting audio as trajectories in a two-dimensional acoustic phase space. Recurrence-based diagnostics, convex hull geometry, and coupling analysis reveal that the sonification pipeline preserves key dynamical signatures: alternating modes produce the highest trajectory recurrence rates, echoing ENSO's quasi-periodicity; layered polyphonic modes explore the broadest phase space regions; and the two scale families induce qualitatively distinct coupling regimes between spectral brightness and energy -- predominantly anti-phase in pelog but near-independent in slendro. Phase space trajectory analysis provides a rigorous geometric framework for comparing sonification designs within a complex systems context. Perceptual validation remains necessary; we contribute the dynamical systems methodology for evaluating such mappings.

We study the Cauchy problem for the one-dimensional isothermal compressible Navier--Stokes system with the van der Waals equation of state, and analyze the well-posedness and asymptotic stability of steady-state phase-transition solutions at subcritical temperatures. Working in Lagrangian coordinates, we use variational techniques to construct piecewise smooth steady-state solutions corresponding to two-phase equilibrium states under finite-mass perturbations. Introducing artificial-viscosity regularization, we first establish existence of the global minimizer of the regularized variational problem, unique within each fixed symmetry class; passing to the vanishing artificial-viscosity limit then yields a physically admissible steady-state solution with two phase interfaces. For initial perturbations that are small with respect to energy, piecewise-gradient, total-variation, and integral norms but may exhibit large pointwise jumps across phase boundaries, we derive uniform a priori bounds for weak solutions near the two-phase equilibrium profile. We further prove that these global weak solutions converge to the steady-state two-phase equilibrium in L^infty(R) as ttoinfty, thereby characterizing their large-time asymptotic behavior. Physically, finite mass perturbations break the uniqueness of the uniform steady state and generate infinitely many piecewise constant two-phase equilibria satisfying the Maxwell equal-area rule. Artificial viscosity acts as a selection principle that singles out the physically relevant two-interface steady-state configuration, and this two-phase equilibrium is asymptotically stable under small integral perturbations that allow large-amplitude discontinuities at phase interfaces.

We design a physics-aware auto-encoder to specifically reduce the dimensionality of solutions arising from convection-dominated nonlinear physical systems. Although existing nonlinear manifold learning methods seem to be compelling tools to reduce the dimensionality of data characterized by a large Kolmogorov n-width, they typically lack a straightforward mapping from the latent space to the high-dimensional physical space. Moreover, the realized latent variables are often hard to interpret. Therefore, many of these methods are often dismissed in the reduced order modeling of dynamical systems governed by the partial differential equations (PDEs). Accordingly, we propose an auto-encoder type nonlinear dimensionality reduction algorithm. The unsupervised learning problem trains a diffeomorphic spatio-temporal grid, that registers the output sequence of the PDEs on a non-uniform parameter/time-varying grid, such that the Kolmogorov n-width of the mapped data on the learned grid is minimized. We demonstrate the efficacy and interpretability of our approach to separate convection/advection from diffusion/scaling on various manufactured and physical systems.

Storm-scale convection-allowing models (CAMs) are an important tool for predicting the evolution of thunderstorms and mesoscale convective systems that result in damaging extreme weather. By explicitly resolving convective dynamics within the atmosphere they afford meteorologists the nuance needed to provide outlook on hazard. Deep learning models have thus far not proven skilful at km-scale atmospheric simulation, despite being competitive at coarser resolution with state-of-the-art global, medium-range weather forecasting. We present a generative diffusion model called StormCast, which emulates the high-resolution rapid refresh (HRRR) model-NOAA's state-of-the-art 3km operational CAM. StormCast autoregressively predicts 99 state variables at km scale using a 1-hour time step, with dense vertical resolution in the atmospheric boundary layer, conditioned on 26 synoptic variables. We present evidence of successfully learnt km-scale dynamics including competitive 1-6 hour forecast skill for composite radar reflectivity alongside physically realistic convective cluster evolution, moist updrafts, and cold pool morphology. StormCast predictions maintain realistic power spectra for multiple predicted variables across multi-hour forecasts. Together, these results establish the potential for autoregressive ML to emulate CAMs -- opening up new km-scale frontiers for regional ML weather prediction and future climate hazard dynamical downscaling.

This chapter provides a pedagogical introduction and overview of spatial and temporal correlation and fluctuation effects resulting from the fundamentally stochastic kinetics underlying chemical reactions and the dynamics of populations or epidemics. After reviewing the assumptions and mean-field type approximations involved in the construction of chemical rate equations for uniform reactant densities, we first discuss spatial clustering in birth-death systems, where non-linearities are introduced through either density-limiting pair reactions, or equivalently via local imposition of finite carrying capacities. The competition of offspring production, death, and non-linear inhibition induces a population extinction threshold, which represents a non-equilibrium phase transition that separates active from absorbing states. This continuous transition is characterized by the universal scaling exponents of critical directed percolation clusters. Next we focus on the emergence of depletion zones in single-species annihilation processes and spatial population segregation with the associated reaction fronts in two-species pair annihilation. These strong (anti-)correlation effects are dynamically generated by the underlying stochastic kinetics. Finally, we address noise-induced and fluctuation-stabilized spatio-temporal patterns in basic predator-prey systems, exemplified by spreading activity fronts in the two-species Lotka-Volterra model as well as spiral structures in the May-Leonard variant of cyclically competing three-species systems akin to rock-paper-scissors games.

We present FreeBird, an extensible Julia-based platform for computational studies of phase equilibria at generic interfaces. The package supports a range of system configurations, from atomistic solid surfaces to coarse-grained lattice-gas models, with energies evaluated using classical interatomic potentials or lattice Hamiltonians. Both atomistic and lattice systems accommodate single- or multi-component mixtures with flexibly definable surface and lattice geometries. Implemented sampling algorithms include nested sampling, Wang-Landau sampling, Metropolis Monte Carlo, and, for tractable lattice systems, exact enumeration. Leveraging Julia's type hierarchies and multiple dispatch, FreeBird provides a modular interface that allows seamless integration of system definitions, energy evaluators, and sampling schemes. Designed for flexibility, extensibility, and performance, FreeBird offers a versatile framework for exploring the thermodynamics of interfacial phenomena.

We construct solutions to the two-dimensional stationary Prandtl system under a constant adverse pressure gradient exhibiting a family of distinct separation laws. More precisely, for every integer ellge1, we construct smooth initial data for which separation occurs at a finite location x=x^ast, with \[ \partial_y u(x,0) =\mathbf C_\ell(x^\ast-x)^{\ell/2}\bigl(1+o(1)\bigr), \qquad x\uparrow x^\ast, \] where mathbf C_ell>0 depends on the initial data. We determine the local asymptotic structure of the solution near separation through matched inner and outer expansions based on linearization around the ground state in von Mises variables. This description addresses Open Problem~5 posed by Oleinik and Samokhin~OleinikSamok-book-99. We also prove that the square-root separation regime, corresponding to ell=1, is dynamically stable under small admissible perturbations of the initial data in a suitable topology.

Individual chemically active drops suspended in a surfactant solution were observed to self-propel spontaneously with straight, helical, or chaotic trajectories. To elucidate how these drops can exhibit such strikingly different dynamics and `decide' what to do, we propose a minimal axisymmetric model of a spherical active drop, and show that simple and linear interface properties can lead to both steady self-propulsion of the droplet as well as chaotic behavior. The model includes two different mobility mechanisms, namely, diffusiophoresis and the Marangoni effect, that convert self-generated gradients of surfactant concentration into the flow at the droplet surface. In turn, surface-driven flow initiates surfactant advection that is the only nonlinear mechanism and, thus, the only source of dynamical complexity in our model. Numerical investigation of the fully-coupled hydrodynamic and advection diffusion problems reveals that strong advection (e.g., large droplet size) may destabilize a steadily self-propelling drop; once destabilized, the droplet spontaneously stops and a symmetric extensile flow emerges. If advection is strengthened even further in comparison with molecular diffusion, the droplet may perform chaotic oscillations. Our results indicate that the thresholds of these instabilities depend heavily on the balance between diffusiophoresis and the Marangoni effect. Using linear stability analysis, we demonstrate that diffusiophoresis promotes the onset of high-order modes of monotonic instability of the motionless drop. We argue that diffusiophoresis has a similar effect on the instabilities of a moving drop.

The presence of thermal gradients in alloys often leads to non-uniformity in concentration profiles, which can induce the thermomigration of microstructural features such as precipitates. To investigate such microstructural changes, we present a phase-field model that incorporates coupling between concentration and thermal gradients. First, we simulated the evolution of non-uniform concentration profiles in the single-phase regions of Fe-C and Fe-N alloy systems due to imposed thermal gradients. To validate our model with the classical experiments performed by Darken and Oriani, we studied the evolution of spatially varying concentration profiles where thermal gradients encompass single-phase and two-phase regions. We developed a parameterized thermodynamic description of the two-phase region of a binary alloy to systematically study the effect of interactions between chemically-driven and thermal gradient-driven diffusion of solute on the evolution of precipitates. Our simulations show how thermal gradient, precipitate size, and interparticle distance influence the migration and associated morphological changes of precipitates. The composition profiles and migration rates obtained from single-particle simulations show an exact match with our analytical model. We use twoparticle simulations to show conditions under which thermomigration induces the growth of the smaller particle and shrinkage of the larger one in contrast to the isothermal Ostwald ripening behavior. Our multiparticle simulations show similar behavior during coarsening. Moreover, in the presence of a thermal gradient, there is a shift in the center of mass of the precipitates towards the high-temperature region. Thus, our study offers new insights into the phenomena of microstructure evolution in the presence of thermal gradient.

The atmosphere affects humans in a multitude of ways, from loss of life due to adverse weather effects to long-term social and economic impacts on societies. Computer simulations of atmospheric dynamics are, therefore, of great importance for the well-being of our and future generations. Here, we propose AtmoRep, a novel, task-independent stochastic computer model of atmospheric dynamics that can provide skillful results for a wide range of applications. AtmoRep uses large-scale representation learning from artificial intelligence to determine a general description of the highly complex, stochastic dynamics of the atmosphere from the best available estimate of the system's historical trajectory as constrained by observations. This is enabled by a novel self-supervised learning objective and a unique ensemble that samples from the stochastic model with a variability informed by the one in the historical record. The task-independent nature of AtmoRep enables skillful results for a diverse set of applications without specifically training for them and we demonstrate this for nowcasting, temporal interpolation, model correction, and counterfactuals. We also show that AtmoRep can be improved with additional data, for example radar observations, and that it can be extended to tasks such as downscaling. Our work establishes that large-scale neural networks can provide skillful, task-independent models of atmospheric dynamics. With this, they provide a novel means to make the large record of atmospheric observations accessible for applications and for scientific inquiry, complementing existing simulations based on first principles.

Recent advances integrate physically grounded Newtonian dynamics with neural rendering frameworks, narrowing the gap between photorealistic scene reconstruction and physics-based animation. However, existing approaches focus on mechanically driven dynamics while neglecting temperature, a fundamental yet invisible physical factor underlying phenomena such as melting, solidification, and other thermomechanical processes. In this paper, we propose MeGAS, a novel framework that incorporates thermomechanical phase-change dynamics into 3D Gaussian Splatting (3DGS). Specifically, we propose a new thermomechanical dynamic Gaussian Splatting representation that augments 3DGS with temperature attributes and employs a heat advection-diffusion solver with MPM dynamics incorporating phase transitions, enabling physically plausible and visually realistic synthesis of thermophysical phenomena. Furthermore, a new topology-adaptive Gaussian rendering strategy is proposed to mitigate cracking and floaters under extreme deformation. Extensive experiments demonstrate that MeGAS produces physically consistent thermomechanical behavior while maintaining high-fidelity photorealistic rendering, advancing toward physics-integrated world models.

Classical theories of chemical kinetics assume independent reactions in dilute solutions, whose rates are determined by mean concentrations. In condensed matter, strong interactions alter chemical activities and create inhomogeneities that can dramatically affect the reaction rate. The extreme case is that of a reaction coupled to a phase transformation, whose kinetics must depend on the order parameter -- and its gradients, at phase boundaries. This Account presents a general theory of chemical kinetics based on nonequilibrium thermodynamics. The reaction rate is a nonlinear function of the thermodynamic driving force (free energy of reaction) expressed in terms of variational chemical potentials. The Cahn-Hilliard and Allen-Cahn equations are unified and extended via a master equation for non-equilibrium chemical thermodynamics. For electrochemistry, both Marcus and Butler-Volmer kinetics are generalized for concentrated solutions and ionic solids. The theory is applied to intercalation dynamics in the phase separating Li-ion battery material Li_xFePO_4.

Kilometer-scale convection shapes precipitation extremes, tropical organization, and cloud feedbacks, but most global atmospheric models approximate these processes at 25-100 km resolution. Global storm-resolving physics models resolve convective systems explicitly, but at a cost -- roughly one MWh per simulated day on exascale supercomputers -- that limits long-duration simulation. We introduce STRATA (Storm-resolving Tile-based autoRegressive Atmosphere Transformer Architecture), the first autoregressive AI emulator for global storm-resolving atmospheric dynamics. STRATA is trained on the highest-resolution atmospheric dataset yet used for global AI emulation: 17 days of SCREAM physics-model output at 4.9-km resolution (~25 million grid cells) sampled every 10 minutes. Our central premise is that on 10-minute timescales atmospheric dynamics are predominantly local, so training on small spatial tiles trades scarce global temporal samples for abundant local spatial samples and enables global rollout via overlapping-tile blending. STRATA combines 3D patch embedding and local 3D neighborhood attention, a novel Stereographic Rotary Position Embedding (StereoRoPE) for grid-invariant encoding, and a pixel-space de-aliasing decoder that suppresses patch-scale rollout artifacts. An iso-FLOP scaling study reveals that km-scale emulation requires ~10x more FLOPs per grid point than coarse-resolution AI weather models, consistent with the higher information density of convective-scale dynamics. Trained on only 17 days of data, STRATA produces stable 24-hour global rollouts with realistic km-scale dynamics across diverse regimes, though large-scale biases develop with lead time. It achieves 48 simulation days per megawatt-hour -- about 50 times better energy efficiency than the SCREAM physics model -- and 741 simulated days per wall-clock day at 512 H100 GPUs. Code and dataset are publicly available.

We present an open-source Python library for simulating two-dimensional incompressible Kelvin-Helmholtz instabilities in stratified shear flows. The solver employs a fractional-step projection method with spectral Poisson solution via Fast Sine Transform, achieving second-order spatial accuracy. Implementation leverages NumPy, SciPy, and Numba JIT compilation for efficient computation. Four canonical test cases explore Reynolds numbers 1000--5000 and Richardson numbers 0.1--0.3: classical shear layer, double shear configuration, rotating flow, and forced turbulence. Statistical analysis using Shannon entropy and complexity indices reveals that double shear layers achieve 2.8times higher mixing rates than forced turbulence despite lower Reynolds numbers. The solver runs efficiently on standard desktop hardware, with 384times192 grid simulations completing in approximately 31 minutes. Results demonstrate that mixing efficiency depends on instability generation pathways rather than intensity measures alone, challenging Richardson number-based parameterizations and suggesting refinements for subgrid-scale representation in climate models.

We present a Spatially Embedded Evolutionary Algorithm where robot individuals exist in a physically simulated 2D environment, must navigate to encounter potential mates, and compete for survival under various spatially-aware selection pressures. Using HyperNEAT evolved neural controllers for ARIEL gecko-inspired quadrupeds in MuJoCo, we investigate how spatial structure fundamentally alters evolutionary dynamics. Our experiments show a modest 4.9% difference in peak fitness between proximity-based and random pairing possibly within stochastic variation while combining spatial parent selection with stochastic death selection produces unstable population dynamics. We discover a continuous phase transition in energy-based selection experiments, with critical zone count separating extinction-dominated and explosion-dominated regimes. Our density-dependent death selection mechanism achieves 97% completion rates but causes fitness decline, revealing a fundamental dilemma where decoupled mechanisms produce bistable dynamics, positively coupled mechanisms create counter-selection pressures, and only deterministic fitness-based selection maintains stability. These findings provide important constraints for future spatial EA design.

Soot is a component of atmospheric aerosols that affects climate by scattering and absorbing the sunlight. Soot particles are fractal aggregates composed of elemental carbon. In the atmosphere, the aggregates acquire coatings by condensation and coagulation, resulting in significant compaction of the aggregates that changes the direct climate forcing of soot. Currently, no models exist to rigorously describe the process of soot restructuring, reducing prediction accuracy of atmospheric aerosol models. We develop a discrete element method contact model to simulate restructuring of fractal soot aggregates, represented as assemblies of spheres joined by cohesion and by sintered necks. The model is parametrized based on atomic force spectroscopy data and is used to simulate soot restructuring, showing that the fraction of necks in aggregates determines the restructuring pathway. Aggregates with fewer necks undergo local compaction, while aggregates with nearly-full necking prefer global compaction. Additionally, full compaction occurs within tens of nanoseconds, orders of magnitude faster than the time scale of soot aging through condensation. An important implication is that in atmospheric soot aggregates, the rate of condensation determines how many necks are fractured simultaneously, affecting the restructuring pathway, e.g., producing highly compact, thinly-coated soot as observed in recent studies.

The generation of sustained, open-ended complexity from local interactions remains a fundamental challenge in artificial life. Differentiable multi-agent systems, such as Petri Dish Neural Cellular Automata (PD-NCA), exhibit rich self-organization driven purely by spatial competition; however, they are highly sensitive to hyperparameters and frequently collapse into uninteresting patterns and dynamics, such as frozen equilibria or structureless noise. In this paper, we introduce PBT-NCA, a meta-evolutionary algorithm that evolves a population of PD-NCAs subject to a composite objective that rewards both historical behavioral novelty and contemporary visual diversity. Driven by this continuous evolutionary pressure, PBT-NCA spontaneously generates a plethora of emergent lifelike phenomena over extended horizons-a hallmark of true open-endedness. Strikingly, the substrate autonomously discovers diverse morphological survival and self-organization strategies. We observe highly regular, coordinated periodic waves; spore-like scattering where homogeneous groups eject cell-like clusters to colonize distant territories; and fluid, shape-shifting macro-structures that migrate across the substrate, maintaining stable outer boundaries that enclose highly active interiors. By actively penalizing monocultures and dead states, PBT-NCA sustains a state of effective complexity that is neither globally ordered nor globally random, operating persistently at the "edge of chaos".

Data Assimilation (DA) plays a critical role in atmospheric science by reconstructing spatially continous estimates of the system state, which serves as initial conditions for scientific analysis. While recent advances in diffusion models have shown great potential for DA tasks, most existing approaches remain purely data-driven and often overlook the physical laws that govern complex atmospheric dynamics. As a result, they may yield physically inconsistent reconstructions that impair downstream applications. To overcome this limitation, we propose PhyDA, a physics-guided diffusion framework designed to ensure physical coherence in atmospheric data assimilation. PhyDA introduces two key components: (1) a Physically Regularized Diffusion Objective that integrates physical constraints into the training process by penalizing deviations from known physical laws expressed as partial differential equations, and (2) a Virtual Reconstruction Encoder that bridges observational sparsity for structured latent representations, further enhancing the model's ability to infer complete and physically coherent states. Experiments on the ERA5 reanalysis dataset demonstrate that PhyDA achieves superior accuracy and better physical plausibility compared to state-of-the-art baselines. Our results emphasize the importance of combining generative modeling with domain-specific physical knowledge and show that PhyDA offers a promising direction for improving real-world data assimilation systems.

A droplet impacting a deep fluid bath is as common as rain over the ocean. If the impact is sufficiently gentle, the mediating air layer remains intact, and the droplet may rebound completely from the interface. In this work, we experimentally investigate the role of translational bath motion on the bouncing to coalescence transition. Over a range of parameters, we find that the relative bath motion systematically decreases the normal Weber number required to transition from bouncing to merging. Direct numerical simulations demonstrate that the depression created during impact combined with the translational motion of the bath enhances the air layer drainage on the upstream side of the droplet, ultimately favoring coalescence. A simple geometric argument is presented that rationalizes the collapse of the experimental threshold data, extending what is known for the case of axisymmetric normal impacts to the more general 3D scenario of interest herein.

Ecological interactions are often mediated by feedbacks between organisms and their resource environments. Yet, how resource supply dynamics dictate collective dynamical phases of an ecosystem remains unclear. Here, we analyse a generalised consumer--resource model with non-reciprocal interactions to demonstrate that self-renewing versus externally-supplied resources yield fundamentally different dynamical phase diagrams. As interactions become increasingly non-reciprocal, ecosystems relying on self-renewing resources transition from stable dynamics to chaos and ultimately to infeasibility. By contrast, ecosystems with externally-supplied resources remain stable over a broader parameter range and transition to infeasibility without experiencing an intervening chaotic phase. Using the cavity method, we derive a unified stability condition applicable to a broad class of resource supply functions, explaining why externally-supplied resources can expand the stable region. We show that stability hinges crucially on the susceptibility of resources to perturbations, which depends strongly on their supply. Further, we show that external resource supply suppresses chaos in the unstable region by drastically reducing the susceptibility of resources closest to extinction. Our findings demonstrate that resource dynamics fundamentally reshape the accessible dynamical behaviours of an ecosystem, with implications for interpreting microbial community experiments.

This work develops a theoretical model for steady thermodynamic and kinematic profiles for severe convective storm environments, building off of the two-layer static energy framework developed in Agard and Emanuel (2017). The model is phrased in terms of static energy, and it allows for independent variation of the boundary layer and free troposphere separated by a capping inversion. An algorithm is presented to apply the model to generate a sounding for numerical simulations of severe convective storms, and the model is compared and contrasted with that of Weisman and Klemp. The model is then fit to a case-study sounding associated with the 3 May 1999 tornado outbreak, and its potential utility is demonstrated via idealized numerical simulation experiments. A long-lived supercell is successfully simulated with the historical sounding but not the analogous theoretical sounding. Two types of example experiments are then performed that do simulate a long-lived supercell: 1) a semi-theoretical experiment in which a portion of the theoretical sounding is modified to match the real sounding (low-level moisture); 2) a fully-theoretical experiment in which a model physical parameter is modified (free-tropospheric relative humidity). Overall, the construction of this minimal model is flexible and amenable to additional modifications as needed. The model offers a novel framework that may be useful for testing how severe convective storms depend on the vertical structure of the hydrostatic environment, as well as for linking variability in these environments to the physical processes that produce them within the climate system.

Global climate models (GCMs) are the main tools for understanding and predicting climate change. However, due to limited numerical resolutions, these models suffer from major structural uncertainties; e.g., they cannot resolve critical processes such as small-scale eddies in atmospheric and oceanic turbulence. Thus, such small-scale processes have to be represented as a function of the resolved scales via closures (parametrization). The accuracy of these closures is particularly important for capturing climate extremes. Traditionally, such closures are based on heuristics and simplifying assumptions about the unresolved physics. Recently, supervised-learned closures, trained offline on high-fidelity data, have been shown to outperform the classical physics-based closures. However, this approach requires a significant amount of high-fidelity training data and can also lead to instabilities. Reinforcement learning is emerging as a potent alternative for developing such closures as it requires only low-order statistics and leads to stable closures. In Scientific Multi-Agent Reinforcement Learning (SMARL) computational elements serve a dual role of discretization points and learning agents. We leverage SMARL and fundamentals of turbulence physics to learn closures for prototypes of atmospheric and oceanic turbulence. The policy is trained using only the enstrophy spectrum, which is nearly invariant and can be estimated from a few high-fidelity samples (these few samples are far from enough for supervised/offline learning). We show that these closures lead to stable low-resolution simulations that, at a fraction of the cost, can reproduce the high-fidelity simulations' statistics, including the tails of the probability density functions. The results demonstrate the high potential of SMARL for closure modeling for GCMs, especially in the regime of scarce data and indirect observations.

Predicting the microstructural and morphological evolution of materials through phase-field modelling is computationally intensive, particularly for high-throughput parametric studies. While neural operators such as the Fourier neural operator (FNO) show promise in accelerating the solution of parametric partial differential equations (PDEs), the lack of explicit physical constraints, may limit generalisation and long-term accuracy for complex phase-field dynamics. Here, we develop a physics-informed neural operator framework to learn parametric phase-field PDEs, namely PF-PINO. By embedding the residuals of phase-field governing equations into the data-fidelity loss function, our framework effectively enforces physical constraints during training. We validate PF-PINO against benchmark phase-field problems, including electrochemical corrosion, dendritic crystal solidification, and spinodal decomposition. Our results demonstrate that PF-PINO significantly outperforms conventional FNO in accuracy, generalisation capability, and long-term stability. This work provides a robust and efficient computational tool for phase-field modelling and highlights the potential of physics-informed neural operators to advance scientific machine learning for complex interfacial evolution problems.

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

Uncovering the rules governing the nonequilibrium dynamics of the membranes that define biological cells is of central importance to understanding the physics of living systems. We theoretically and computationally investigate the behavior of flexible quasispherical vesicles that exchange membrane constituents, internal volume, and heat with an external reservoir. The excess chemical potential and osmotic pressure difference imposed by the reservoir act as generalized thermodynamic driving forces that modulate vesicle morphology. We show that the renormalization of membrane mechanical properties by nonequilibrium driving gives rise to a morphological transition between a weakly driven regime, in which growing vesicles remain quasispherical, and a strongly driven regime, in which vesicles accommodate rapid membrane uptake by developing surface wrinkles. Additionally, we propose a minimal vesicle growth-shape law, derived using insights from stochastic thermodynamics, that robustly describes vesicle growth dynamics even in strongly driven, far-from-equilibrium regimes.

Repeated impacts of a droplet on a vertically forced bath can produce a growing Faraday-wave response under forcing conditions for which the corresponding initially undisturbed bath remains linearly stable. We investigate this mechanism using axisymmetric two-phase direct numerical simulations over a wide range of Reynolds and Weber numbers. The resulting phenomenological regime map identifies quasi-periodic, decaying, faint, and unstable-bath responses. Along the parameter path considered here, the transition to the unstable-bath regime occurs over a narrow range of Weber numbers and varies only weakly with Reynolds number. In the unstable regime, the bath develops a coherent subharmonic response at half the forcing frequency, while disturbances in the decaying regime remain broadband and weaken between successive rebounds. Bath-only simulations show that a finite-amplitude perturbation representative of droplet impact can seed the confined radial mode susceptible to parametric forcing, initiating a growing subharmonic response below the linear instability threshold of the initially flat bath. A reduced capillary-dominated model provides a scaling estimate for the impact-equivalent perturbation amplitude, and bath-only simulations initialized with these perturbations reproduce the bounded-to-growing transition observed in the coupled simulations. Floquet analysis of the finite cylindrical bath identifies the first axisymmetric Neumann mode as having the lowest subharmonic instability threshold. A time-resolved Bessel decomposition independently shows that the growing bath response is dominated by the same radial mode, while the droplet-induced subharmonic response projects predominantly onto this structure. These results identify a finite-amplitude route by which localized droplet impacts can access Faraday-wave dynamics below the linear onset threshold of an initially undisturbed bath.

Despite the unprecedented volume of multimodal data provided by modern Earth observation systems, our ability to model atmospheric dynamics remains constrained. Traditional modeling frameworks force heterogeneous measurements into predefined spatial grids, inherently limiting the full exploitation of raw sensor data and creating severe computational bottlenecks. Here we present Earth-o1, an observation-native atmospheric world model that overcomes these structural limitations. Rather than relying on conventional atmospheric dynamical modeling systems or traditional data assimilation, Earth-o1 directly learns the continuous, three-dimensional physical evolution of the Earth system from ungridded observational data. By integrating diverse sensor inputs into a unified, grid-free dynamical field, the model autonomously advances the atmospheric state in space and time. We show that this fundamentally distinct paradigm enables direct, real-time forecasting and cross-sensor inference without the overhead of explicit numerical solvers. In hindcast evaluations, Earth-o1 achieves surface forecast skill comparable to the operational Integrated Forecasting System (IFS). These results establish that continuous, observation-driven world models -- a new class of fully observation-native geophysical simulators -- can match the fidelity of established physical frameworks, providing a scalable data-driven foundation for a digital twin of the Earth.

Generative models have the potential to transform the way we emulate Earth's changing climate. Previous generative approaches rely on weather-scale autoregression for climate emulation, but this is inherently slow for long climate horizons and has yet to demonstrate stable rollouts under nonstationary forcings. Here, we introduce Spatiotemporal Pyramid Flows (SPF), a new class of flow matching approaches that model data hierarchically across spatial and temporal scales. Inspired by cascaded video models, SPF partitions the generative trajectory into a spatiotemporal pyramid, progressively increasing spatial resolution to reduce computation and coupling each stage with an associated timescale to enable direct sampling at any temporal level in the pyramid. This design, together with conditioning each stage on prescribed physical forcings (e.g., greenhouse gases or aerosols), enables efficient, parallel climate emulation at multiple timescales. On ClimateBench, SPF outperforms strong flow matching baselines and pre-trained models at yearly and monthly timescales while offering fast sampling, especially at coarser temporal levels. To scale SPF, we curate ClimateSuite, the largest collection of Earth system simulations to date, comprising over 33,000 simulation-years across ten climate models and the first dataset to include simulations of climate interventions. We find that the scaled SPF model demonstrates good generalization to held-out scenarios across climate models. Together, SPF and ClimateSuite provide a foundation for accurate, efficient, probabilistic climate emulation across temporal scales and realistic future scenarios. Data and code is publicly available at https://github.com/stanfordmlgroup/spf .

Collective motion in fish schools exemplifies emergent self-organization in active matter systems, yet computational tools for simulating and analyzing these dynamics remain fragmented across research groups. We present dewi-kadita, an open-source Python library implementing the three-dimensional Couzin zone-based model with comprehensive entropy diagnostics tailored for marine collective behavior research. The library introduces seven information-theoretic metrics -- school cohesion entropy, polarization entropy, depth stratification entropy, angular momentum entropy, nearest-neighbor entropy, velocity correlation entropy, and school shape entropy -- that characterize distinct organizational features inaccessible to classical order parameters. These metrics combine into an Oceanic Schooling Index (OSI) providing a single scalar measure of collective disorder. Validation across four canonical configurations (swarm, torus, dynamic parallel, highly parallel) confirms correct reproduction of known phase behaviors: the swarm maintains disorder with polarization P < 0.1 and OSI approx 0.71, while the highly parallel state achieves P = 0.998 with OSI = 0.24 and velocity correlation entropy vanishing to zero. The entropy framework successfully discriminates the torus and dynamic parallel configurations that exhibit comparable order parameter magnitudes through different organizational mechanisms. Numba just-in-time (JIT) compilation accelerates pairwise interaction calculations by 10--100times, enabling simulations of 150--250 agents over 1000--2000 time steps within five minutes on standard workstation hardware. NetCDF4 output ensures interoperability with oceanographic analysis tools. The library addresses the need for standardized, reproducible infrastructure in collective behavior modeling analogous to established molecular dynamics codes.

Accurately predicting the future fluid is important to extensive areas, such as meteorology, oceanology and aerodynamics. However, since the fluid is usually observed from an Eulerian perspective, its active and intricate dynamics are seriously obscured and confounded in static grids, bringing horny challenges to the prediction. This paper introduces a new Lagrangian-guided paradigm to tackle the tanglesome fluid dynamics. Instead of solely predicting the future based on Eulerian observations, we propose the Eulerian-Lagrangian Dual Recurrent Network (EuLagNet), which captures multiscale fluid dynamics by tracking movements of adaptively sampled key particles on multiple scales and integrating dynamics information over time. Concretely, a EuLag Block is presented to communicate the learned Eulerian and Lagrangian features at each moment and scale, where the motion of tracked particles is inferred from Eulerian observations and their accumulated dynamics information is incorporated into Eulerian fields to guide future prediction. Tracking key particles not only provides a clear and interpretable clue for fluid dynamics but also makes our model free from modeling complex correlations among massive grids for better efficiency. Experimentally, EuLagNet excels in three challenging fluid prediction tasks, covering both 2D and 3D, simulated and real-world fluids.

Continuous physical fields represent a large fraction of data under scientific investigation. Their multiscale structures are central to discovery, yet useful coordinates are not known in advance. Standard self-supervised methods define context and targets in fixed image coordinates, posing a predictive task misaligned with fields organized across a continuous scale hierarchy. We introduce ScaleAware-JEPA, a framework that constructs dense, label-free latent coordinates for continuous scalar fields. Constrained Diffusion Decomposition (CDD) separates each field into pixel-registered scale components and provides the scale coordinates that define the masking geometry. The resulting JEPA objective predicts hidden structure with a context footprint tied to the diffusion scale of each component rather than to an arbitrary patch size. Across MHD turbulence, interstellar molecular gas and urban nighttime-light structure, the learned geometry maps back to coherent morphology, forming dense structural atlases without labels or predefined segmentation rules. By tying latent prediction to the scale hierarchy of a field, ScaleAware-JEPA constructs latent coordinates through which complex physical patterns can be inspected before their relevant structures have been prescribed. Code is available at https://github.com/gxli/SA-JEPA.

Understanding the complex interactions between land surface and atmosphere is essential to improve weather and climate predictions. Various numerical experiments have suggested that regions of strong coupling strength (hotspots) are located in the transitional climate zones. However, atmospheric processes in these hotspots are found to have different responses to the perturbation of surface properties. Here we establish analytical relationships to identify key role of soil moisture variances in controlling the coupling hotspots. Using the most recent numerical experiments, we find different signs of feedback in two such hotspots, suggesting the coupling can either reinforce or attenuate persistent extreme climates. We further uncover new coupling hotspots in regions where precipitation is highly sensitive to soil moisture perturbation. Our results highlight the importance of both signs and magnitudes of land-atmosphere interactions over extensive regions, where the ecosystems and communities are particularly vulnerable to the extreme climate events.

Large data-driven physics models like DeepMind's weather model GraphCast have empirically succeeded in parameterizing time operators for complex dynamical systems with an accuracy reaching or in some cases exceeding that of traditional physics-based solvers. Unfortunately, how these data-driven models perform computations is largely unknown and whether their internal representations are interpretable or physically consistent is an open question. Here, we adapt tools from interpretability research in Large Language Models to analyze intermediate computational layers in GraphCast, leveraging sparse autoencoders to discover interpretable features in the neuron space of the model. We uncover distinct features on a wide range of length and time scales that correspond to tropical cyclones, atmospheric rivers, diurnal and seasonal behavior, large-scale precipitation patterns, specific geographical coding, and sea-ice extent, among others. We further demonstrate how the precise abstraction of these features can be probed via interventions on the prediction steps of the model. As a case study, we sparsely modify a feature corresponding to tropical cyclones in GraphCast and observe interpretable and physically consistent modifications to evolving hurricanes. Such methods offer a window into the black-box behavior of data-driven physics models and are a step towards realizing their potential as trustworthy predictors and scientifically valuable tools for discovery.

Accurate free-energy estimation is essential in molecular simulation, yet the periodic boundary conditions (PBC) commonly used in computer simulations have rarely been explicitly exploited. Equilibrium methods such as umbrella sampling, metadynamics, and adaptive biasing force require extensive sampling, while non-equilibrium pulling with Jarzynski's equality suffers from poor convergence due to exponential averaging. Here, we introduce a physics-informed, score-based diffusion framework: by mapping PBC simulations onto a Brownian particle in a periodic potential, we derive the Fokker-Planck steady-state score that directly encodes free-energy gradients. A neural network is trained on non-equilibrium trajectories to learn this score, providing a principled scheme to efficiently reconstruct the potential of mean force (PMF). On benchmark periodic potentials and small-molecule membrane permeation, our method is up to one order of magnitude more efficient than umbrella sampling.

Modern materials science has historically been founded on combining restricted subsets of the periodic table, favoring high-purity, few-element systems. However, the demands of an emerging circular economy, together with the need to understand materials behavior under planetary and industrial extremes, increasingly require mastering Mendeleev materials - chemically and structurally complex systems that span large portions of the periodic table. In these regimes, current universal machine-learning interatomic potentials often fail, largely due to systematic gaps in traditional training datasets that heavily emphasize low-energy, near-equilibrium structures. We address this limitation by introducing a chemistry-agnostic, information-entropy-maximization protocol for data generation. By decoupling structural sampling from thermodynamic bias, our approach provides a robust physical prior for atomic interactions across the entire periodic table, including regimes far from equilibrium and under extreme conditions. Training a Graph Atomic Cluster Expansion (GRACE) model on the resulting statistically maximized entropy (SMAX) dataset yields markedly improved robustness across a range of stringent benchmarks. These include large-strain phase transformations in tin, defect evolution in tungsten-based alloys, and catalytic reaction barrier prediction. More broadly, our approach establishes a scalable and principled methodology for navigating the vast chemical and configurational space relevant to future materials design. It enables a paradigm of discovery by simulation in which unbiased sampling protocols autonomously resolve emergent structures in multi-elemental mixtures-such as systems containing the nine most abundant elements in the Earth's crust-without reliance on a priori chemical assumptions.

This work aims to develop a method based on a structurally reliable ice model and a statistically and physico-chemically robust approach for BE distribution inference, with the aim to be applicable to various relevant interstellar species. A multiscale computational approach is presented, with a Molecular Dynamics (MD) Heat & Quench protocol for the amorphous water ice model, and an ONIOM(B3LYP-D3(BJ)/6-311+G**:GFN2-xtb) scheme for the BE inference, with a prime emphasis onto the BE/real system size convergence. The sampling of the binding configurations is twofold, exploring both regularly spaced binding sites, as well as various adsorbate-to-substrate orientations on each locally distinct site. This second source of BE diversity accounts for the local roughness of the potential energy landscape of the substrate. Three different adsorbate test cases are considered, i.e. NH3, CO and CH4, owing to their significance in dust icy mantles, and their distinct binding behavior with water ices. The BE distributions for NH3, CO and CH4 have been inferred, with converged statistics. The distribution for NH3 is better represented by a double Gaussian component profile. Three starting adsorbate orientations per site are required to reach convergence for both Gaussian components of NH3, while 2 orientations are sufficient for CO, and one unique for CH4 (symmetric). Further geometrical and molecular surrounding insights have been provided. These results encompass previously reported results.

We study a three-species competitive Lotka--Volterra system with cyclic dominance, motivated by rock--paper--scissors interactions in ecological communities. The model contains a singularly strong interaction coefficient of order 1/ε, representing a regime in which one species exerts a much stronger competitive pressure on another. We show that, despite this strong asymmetry, the cyclic dominance mechanism persists. Our main result is a quantitative description of one complete dominance pattern in the singular regime 0<εll 1. Starting near the state where the third species dominates, we prove that the solution successively passes near the dominance states of the second and first species before returning to a comparable configuration. We obtain logarithmic estimates for the return time and for the population densities at the return section. In particular, although one species becomes extremely small at the beginning and at the end of each pattern, it recovers to an order-one density during the cycle. We then prove that this pattern repeats indefinitely and that the omega-limit set is composed of three heteroclinic orbits on the boundary of the positive orthant, connecting the three single-species equilibria. Thus the long-time behavior is cyclic but aperiodic, with increasingly long excursions near successive single-species states.

Soil moisture-precipitation coupling (SMPC) plays a critical role in Earth's water and energy cycles but remains difficult to quantify due to synoptic-scale variability and the complex interplay of land-atmosphere processes. Here, we apply high-dimensional model representation (HDMR) to functionally decompose the structural, correlative, and cooperative contributions of key land-atmosphere variables to precipitation. Benchmark tests confirm that HDMR overcomes limitations of commonly used correlation and regression approaches in isolating direct versus indirect effects. For example, analysis of gross primary productivity using a light-use-efficiency model shows that linear regression underestimates the temperature effect, while HDMR captures it accurately. Applying HDMR to CONUS404 reanalysis data reveals that morning soil moisture explains up to 40 percent of the variance in summertime afternoon precipitation over the Great Plains, more than double prior estimates. On days with afternoon rainfall (12-hour totals of 4.7-8.2 mm), first-order SM effects can boost precipitation by up to 8 mm under wet conditions, with an additional 3 mm from second-order interactions involving temperature and moisture. By capturing real-world co-variability and higher-order effects, HDMR provides a physically grounded, data-driven framework for diagnosing land-atmosphere coupling. These results underscore the need for more nuanced, interaction-aware data analysis methods in climate modeling and prediction.

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

The heavy-tailed nature of precipitation intensity impedes precise precipitation nowcasting. Standard models that optimize pixel-wise losses are prone to regression-to-the-mean bias, which blurs extreme values. Existing Fourier-based methods also lack the spatial localization needed to resolve transient convective cells. To overcome these intrinsic limitations, we propose WADEPre, a wavelet-based decomposition model for extreme precipitation that transitions the modeling into the wavelet domain. By leveraging the Discrete Wavelet Transform for explicit decomposition, WADEPre employs a dual-branch architecture: an Approximation Network to model stable, low-frequency advection, isolating deterministic trends from statistical bias, and a spatially localized Detail Network to capture high-frequency stochastic convection, resolving transient singularities and preserving sharp boundaries. A subsequent Refiner module then dynamically reconstructs these decoupled multi-scale components into the final high-fidelity forecast. To address optimization instability, we introduce a multi-scale curriculum learning strategy that progressively shifts supervision from coarse scales to fine-grained details. Extensive experiments on the SEVIR and Shanghai Radar datasets demonstrate that WADEPre achieves state-of-the-art performance, yielding significant improvements in capturing extreme thresholds and maintaining structural fidelity. Our code is available at https://github.com/sonderlau/WADEPre.

Weather Jiu-Jitsu is a control paradigm for extreme climatological events, inspired by chaos theory. As a proposition, small, precise, targeted, and cost-inexpensive perturbations can redirect trajectories of a large dynamical system. This strategy has been demonstrated analytically in the Lorenz-63 system, where a naturally chaotic trajectory switching between two attractors can be confined to a single attractor, indefinitely, via arbitrarily small perturbations. This paper examines the feasibility of Microsoft's Aurora -- a 1.3 billion parameter global atmospheric model -- as a test bed for this strategy. This paper explores three questions: (1) Is Aurora a reliable enough simulation environment to serve as a meaningful testbed? (2) Are the perturbations required to redirect its trajectories small enough to be physically plausible? (3) Does Aurora's learned latent space (the parametric estimators on climatological attributes) yield any apparent, structured, and/or perhaps interpretable features that can convey a geo/atmospheric response to initial conditions? We find evidence consistent with all three: Aurora's modeled trajectories respond to perturbations beyond measurement drift, the perturbation magnitudes required are small relative to the model's own forecast uncertainty, and its latent representations exhibit directional structure that responds to Jiu-Jitsu-type interventions, even though that structure does not separate extreme from normal states outright. These results should be read as feasibility diagnostics rather than a demonstration of control: we do not implement or test an actual steering intervention on Aurora, and several of our findings, particularly around the model's latent-space geometry, are exploratory.

The interaction between the Earths surface and the atmosphere plays a key role in the initiation of cumulus convection. Over the land surface, a necessary boundary condition to consider for resolving land-atmosphere interactions is soil moisture. The aim in the study is twofold. One, through object oriented and traditional verification techniques determine how higher resolution soil moisture initial conditions influences the prediction of the location and timing of convective initiation (CI) within a convective permitting, operational NWP model over South Africa. Two, to study the modelled CI-soil moisture relationship during real afternoon thunderstorm events. The study reports the results from 66 Unified Model simulations (at 4.4km grid resolution) for nine summer afternoon CI events during synoptically benign conditions over South Africa. The higher resolution soil moisture conditions reduce centroid distance between observed and forecast storms on average by 7km (9 percent improvement), with the most decrease in centroid distance occurring at the shortest lead times, by 12km. Most improvement in location error occurs in the zonal directional. However, little to no difference is found in the timing of CI, most likely attributable to the dominant effect of model grid size on CI timing, overshadowing the influence from soil moisture anomalies. Probability of CI is highest over dry and moderate soils and areas along distinct soil moisture gradients. The conclusion is that modelled CI over South Africa preferentially occurs on the periphery of wet soil moisture patches, where there is increased surface convergence of wind and higher sensible heat flux.

We present dla-ideal-solver, a high-performance framework for simulating two-dimensional Diffusion-Limited Aggregation (DLA) using Numba-accelerated Python. By leveraging just-in-time (JIT) compilation, we achieve computational throughput comparable to legacy static implementations while retaining high-level flexibility. We investigate the Laplacian growth instability across varying injection geometries and walker concentrations. Our analysis confirms the robustness of the standard fractal dimension D_f approx 1.71 for dilute regimes, consistent with the Witten-Sander universality class. However, we report a distinct crossover to Eden-like compact growth (D_f approx 1.87) in high-density environments, attributed to the saturation of the screening length. Beyond standard mass-radius scaling, we employ generalized Rényi dimensions and lacunarity metrics to quantify the monofractal character and spatial heterogeneity of the aggregates. This work establishes a reproducible, open-source testbed for exploring phase transitions in non-equilibrium statistical mechanics.

Autoregressive learning of time-stepping operators provides an effective approach to data-driven partial differential equation (PDE) simulation, yet for conservation laws, they face a fundamental challenge: learned updates may violate global conservation over long rollouts. For the important subclass of mass-conservation-type equations, the problem is compounded by inherent physical bounds (e.g., nonnegativity or concentrations in [0,1]) whose violation further destabilizes predictions. We introduce FluxNet, which learns cumulative transport amounts representing the total conserved quantity redistributed between each cell and a configurable neighborhood over the full surrogate interval. A conservative update guarantees exact discrete conservation by construction; modular capacity-constrained transport heads (L, U, and D) enforce lower bounds, upper bounds, or near-zero dual-bound violations through architectural design. Unlike flux-rate surrogates that require temporal integration and thus inherit CFL constraints, FluxNet involves no such integration; configurable transport neighborhoods enable large-timestep prediction at full spatial resolution. Ghost cells extend the framework to non-periodic boundaries. Experiments on four benchmarks (1D convection--diffusion, 2D shallow water, 1D traffic flow, 2D Cahn--Hilliard) demonstrate exact conservation, structural bound preservation, architecture modularity, and superior stability over flux-rate surrogates at large temporal strides. The code is publicly available at: https://github.com/Lan-zs/FluxNet.

By reducing resolution, coarse-grained models greatly accelerate molecular simulations, unlocking access to long-timescale phenomena, though at the expense of microscopic information. Recovering this fine-grained detail is essential for tasks that depend on atomistic accuracy, making backmapping a central challenge in molecular modeling. We introduce split-flows, a novel flow-based approach that reinterprets backmapping as a continuous-time measure transport across resolutions. Unlike existing generative strategies, split-flows establish a direct probabilistic link between resolutions, enabling expressive conditional sampling of atomistic structures and -- for the first time -- a tractable route to computing mapping entropies, an information-theoretic measure of the irreducible detail lost in coarse-graining. We demonstrate these capabilities on diverse molecular systems, including chignolin, a lipid bilayer, and alanine dipeptide, highlighting split-flows as a principled framework for accurate backmapping and systematic evaluation of coarse-grained models.

Multi-agent systems can improve reliability, yet under a fixed inference budget they often help, saturate, or even collapse. We develop a minimal and calibratable theory that predicts these regimes from three binding constraints of modern agent stacks: finite context windows, lossy inter-agent communication, and shared failures among similar agents. Each leaf agent is summarized by a compute-performance scaling exponent β; communication is captured by a message-length fidelity curve γ(m); dependence is captured by an effective shared-error correlation ρ; and a context window W imposes hard fan-in limits that make hierarchy necessary. For binary success/failure tasks with majority aggregation, we prove a sharp phase transition for deep b-ary trees with correlated inputs and lossy communication: a single scalar α_ρ (combining γ(m), ρ, and fan-in b) determines whether weak signal is amplified to a nontrivial fixed point or washed out to chance. In the amplifying regime, we derive an organization exponent s and show that budgeted synergy, i.e., outperforming the best single agent under the same total budget, occurs exactly when s>β, yielding closed-form compute allocation rules and explicit budget thresholds. We further characterize saturation via a mixing depth and provide a conservative clipped predictor that remains accurate across growth and saturation. A continuous-performance warm-up gives closed-form risks for star, chain, and tree organizations, making correlation- and communication-induced floors explicit and exposing the core design trade-offs in a smooth setting. Finally, we validate the predicted phase boundaries in controlled synthetic simulations and show how the same mechanisms explain the dominant bottlenecks reported in recent large-scale matched-budget studies of LLM agent-system scaling.

We present a stochastic coupled emulator of E3SM version 3, built on the SamudrACE framework, which couples an atmosphere emulator (ACE2) with a full-depth ocean emulator (Samudra). We replace the deterministic atmosphere emulator with its stochastic counterpart, ACE2S, and fine-tune the coupled system with a probabilistic objective, so that the atmosphere acts as a source of internal variability for the ocean. Trained on 105 years of a pre-industrial control simulation and evaluated on an independent 400 years, the emulator reproduces E3SMv3's mean climate state with biases much smaller than existing model-to-observation differences. Relative to a deterministic baseline, stochastic training maintains internal variability across timescales, most notably in the ENSO power spectrum, eddy-rich SST anomalies, and sea ice variability in the marginal ice zone. The emulator captures daily precipitation accurately up to the 99.99th percentile, but underestimates the rarest tropical extremes. These results show that stochastic coupled emulators can reproduce long-timescale variability with high fidelity, while extrapolation to unseen extremes remains a key challenge.

In the last decade many research efforts have been focused on understanding the rheology of disordered materials, and several theoretical predictions have been put forward regarding their yielding behavior. Nevertheless, not many experiments nor molecular dynamics simulations were dedicated to testing those theoretical predictions. Here we use computer simulations to study the yielding transition under two different loading schemes: standard simple shear dynamics, and self-propelled, dense active systems. In the active systems a yielding transition is observed as expected, when the self-propulsion is increased. However, the range of self-propulsions in which a pure liquid regime exist appears to vanish upon approaching the so-called "jamming point" at which solidity of soft-sphere packings is lost. Such an "active yielding" transition shares similarities with the generic yielding transition for shear flows. A Herschel-Bulkley law is observed in both loading scenarios, with a clear difference in the critical scaling exponents between the two, suggesting the existent of different universality classes for the yielding transition under different driving conditions. In addition, we present direct measurements of length and time scales for both driving scenarios. A comparison with theoretical predictions from recent literature reveals poor agreement with our numerical results.

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

We present a set of numerical simulations of the dynamical evolution of compact planetary systems migrating in a protoplanetary disk whose inner edge is sculpted by the interaction with the stellar magnetic field, as described in Yu et al. (2023). We demonstrate that the resulting final distribution of neighbouring planet period ratios contains only a small surviving fraction of resonant systems, in accordance with observations. The resulting planetary architectures are largely in place by the end of the protoplanetary disk phase (within a few Myr), and do not require significant later dynamical evolution. The divergence of planetary pairs during gas disk dispersal also leads to the excitation of eccentricities when pairs cross mean motion resonances in a divergent fashion. The resulting distribution of remnant free eccentricities is consistent with the values inferred from the observation of transit durations and transit timing variations. We furthermore demonstrate that this conclusion is not significantly altered by tides, assuming standard values for tidal dissipation in Earth or Neptune-class planets. These results demonstrate that the observed spacing and residual dynamical excitation of compact planetary systems can be reproduced by migration through a protoplanetary disk, as long as the inner disk boundary is modelled as a gradual rollover, instead of a sharp transition. Such an effect can be achieved when the model accounts for the diffusion of the stellar magnetic field into the disk. The resulting divergence of planetary pairs during the magnetospheric rebound phase breaks the resonant chains, resulting in a better match to observations than disk models with more traditional inner boundaries.

The Rayleigh-Plateau instability predicts that infinitesimal perturbations of a liquid jet grow only for kR < 1, with kR = 1 marking the classical stability boundary. Here, we show that femtosecond-laser-induced cavitation generates a localized, impulsive recoil perturbation on a flowing liquid jet, enabling a two-dimensional map of jet breakup across the (kR, epsilon/R) plane. The perturbation's spacing (wavelength) and strength (amplitude) are set independently by the laser repetition rate and pulse energy, respectively. At low amplitudes, tuning the repetition rate recovers the classical Rayleigh-Plateau dispersion relation and its kR = 1 cutoff, while increasing the wavelength enables controlled generation of monodisperse droplet trains, bidisperse droplet populations, and ultimately isolated single droplets. Along the amplitude axis, low pulse energies produce a seed that amplifies only the imposed wavenumber, whereas above a critical energy Ec, the seed broadens to excite many wavenumbers simultaneously. At still higher amplitudes, we demonstrate deterministic breakup for kR > 1, extending to kR = 1.9, with laser-synchronized droplet production rates up to 0.2 MHz. These results establish localized femtosecond-laser-induced cavitation as a route to controlled Rayleigh-Plateau breakup both within and beyond the classical linear-stability boundary.

We present an open-source Python implementation of an idealized high-order pseudo-spectral solver for the one-dimensional nonlinear Schr\"odinger equation (NLSE). The solver combines Fourier spectral spatial discretization with an adaptive eighth-order Dormand-Prince time integration scheme to achieve machine-precision conservation of mass and near-perfect preservation of momentum and energy for smooth solutions. The implementation accurately reproduces fundamental NLSE phenomena including soliton collisions with analytically predicted phase shifts, Akhmediev breather dynamics, and the development of modulation instability from noisy initial conditions. Four canonical test cases validate the numerical scheme: single soliton propagation, two-soliton elastic collision, breather evolution, and noise-seeded modulation instability. The solver employs a 2/3 dealiasing rule with exponential filtering to prevent aliasing errors from the cubic nonlinearity. Statistical analysis using Shannon, R\'enyi, and Tsallis entropies quantifies the spatio-temporal complexity of solutions, while phase space representations reveal the underlying coherence structure. The implementation prioritizes code transparency and educational accessibility over computational performance, providing a valuable pedagogical tool for exploring nonlinear wave dynamics. Complete source code, documentation, and example configurations are freely available, enabling reproducible computational experiments across diverse physical contexts where the NLSE governs wave evolution, including nonlinear optics, Bose-Einstein condensates, and ocean surface waves.

Many dynamical processes unfold on the sphere but the default scientific machine learning architectures are Euclidean. Applying these architectures on a regular lat-lon grid causes problems: Cartesian convolutions become distorted at high latitude; 2D FFTs in Fourier neural operators incorrectly assume double periodicity; Cartesian positional encodings in ViTs distort spherical geodesic distances. Recent work moves towards natively spherical primitives, including spherical convolutions (e.g., DeepSphere or DISCO), Spherical Fourier Neural Operators (SFNOs), and geodesic attention. Here we propose Dandelion, a spherical version of Flower, a warp-based neural PDE solver. Layers of Dandelion predict a tangent-plane displacement and transport features along great circles. We obtain a U-Net-like structure by implementing hierarchical pooling entirely in the spherical-harmonic domain. There are thus no convolutions: spatial mixing is achieved only through spherical coordinate changes, or warps. To compare Dandelion with existing spherical architectures, we release an evolving benchmark suite of challenging, natively-spherical PDE datasets including a modified Galewsky jet, anomalous chained turbulence, Cahn-Hilliard decomposition, spherical Riemann shocks, Held-Suarez dry atmospheric transport and global ocean dynamics. This new benchmark fills the gap in existing spherical datasets which are either too small and stylized, or much too large (ERA5) for model iteration. Dandelion is best or second-best on every dataset, and the gap to non-warp baselines widens with resolution: at 256times 512, Dandelion and Flower2D occupy the top two slots in both single-step prediction and rollout.

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.

Rayleigh-B\'enard convection (RBC) is a recurrent phenomenon in several industrial and geoscience flows and a well-studied system from a fundamental fluid-mechanics viewpoint. However, controlling RBC, for example by modulating the spatial distribution of the bottom-plate heating in the canonical RBC configuration, remains a challenging topic for classical control-theory methods. In the present work, we apply deep reinforcement learning (DRL) for controlling RBC. We show that effective RBC control can be obtained by leveraging invariant multi-agent reinforcement learning (MARL), which takes advantage of the locality and translational invariance inherent to RBC flows inside wide channels. The MARL framework applied to RBC allows for an increase in the number of control segments without encountering the curse of dimensionality that would result from a naive increase in the DRL action-size dimension. This is made possible by the MARL ability for re-using the knowledge generated in different parts of the RBC domain. We show in a case study that MARL DRL is able to discover an advanced control strategy that destabilizes the spontaneous RBC double-cell pattern, changes the topology of RBC by coalescing adjacent convection cells, and actively controls the resulting coalesced cell to bring it to a new stable configuration. This modified flow configuration results in reduced convective heat transfer, which is beneficial in several industrial processes. Therefore, our work both shows the potential of MARL DRL for controlling large RBC systems, as well as demonstrates the possibility for DRL to discover strategies that move the RBC configuration between different topological configurations, yielding desirable heat-transfer characteristics. These results are useful for both gaining further understanding of the intrinsic properties of RBC, as well as for developing industrial applications.

We study the self-diffusiophoresis of a spherical chemically active particle near a planar, impermeable wall, with a focus on the influence of particle orientation on propulsion. We analyze a Janus particle with asymmetric surface chemical activity, consisting of a small inert region within a catalytically active cap. While numerical simulations have been used to study such particles, they encounter difficulties resolving the flow and transport in the extreme near-wall regime due to geometric confinement and steep solute concentration gradients. We address this limitation through an asymptotic analysis in the near-contact limit, where the gap between the particle and the wall is narrow. In particular, we consider the distinguished limit in which the inert region is asymptotically comparable in size to the lubrication region. We analyze an axisymmetric configuration in which the inert face is oriented parallel to the wall and extend the analysis to slightly tilted orientations. We find that the capsize determines whether a tilted particle rotates back toward the axisymmetric state or continues to reorient, thereby characterizing its rotational stability in the near-contact regime.

Reliable visual monitoring of chemical experiments remains challenging in transparent glassware, where weak phase boundaries and optical artifacts degrade conventional segmentation. We formulate laboratory phenomena as the time evolution of phase interfaces and introduce the Chemical Transparent Glasses dataset 2.0 (CTG 2.0), a vessel-aware benchmark with 3,668 images, 23 glassware categories, and five multiphase interface types for phase-interface instance segmentation. Building on YOLO11m-seg, we propose LGA-RCM-YOLO, which combines Local-Global Attention (LGA) for robust semantic representation and a Rectangular Self-Calibration Module (RCM) for boundary refinement of thin, elongated interfaces. On CTG 2.0, the proposed model achieves 84.4% AP@0.5 and 58.43% AP@0.5-0.95, improving over the YOLO11m baseline by 6.42 and 8.75 AP points, respectively, while maintaining near real-time inference (13.67 FPS, RTX 3060). An auxiliary color-attribute head further labels liquid instances as colored or colorless with 98.71% precision and 98.32% recall. Finally, we demonstrate continuous process monitoring in separatory-funnel phase separation and crystallization, showing that phase-interface instance segmentation can serve as a practical visual sensor for laboratory automation.

In the present article we study diffuse interface models for two-phase biomembranes. We will do so by starting off with a diffuse interface model on R^n defined by two coupled phase fields u,v. The first phase field u is the diffuse approximation of the interior of the membrane; the second phase field v is the diffuse approximation of the two phases of the membrane. We prove a compactness result and a lower bound in the sense of Gamma-convergence for pairs of phase functions (u_varepsilon,v_varepsilon). As an application of this first result, we consider a diffuse approximation of a two-phase Willmore functional plus line tension energy.

In this paper, we develop and implement an efficient asymptotic-preserving (AP) scheme to solve the gas mixture of Boltzmann equations under the disparate mass scaling relevant to the so-called "epochal relaxation" phenomenon. The disparity in molecular masses, ranging across several orders of magnitude, leads to significant challenges in both the evaluation of collision operators and the designing of time-stepping schemes to capture the multi-scale nature of the dynamics. A direct implementation of the spectral method faces prohibitive computational costs as the mass ratio increases due to the need to resolve vastly different thermal velocities. Unlike [I. M. Gamba, S. Jin, and L. Liu, Commun. Math. Sci., 17 (2019), pp. 1257-1289], we propose an alternative approach based on proper truncation of asymptotic expansions of the collision operators, which significantly reduces the computational complexity and works well for small varepsilon. By incorporating the separation of three time scales in the model's relaxation process [P. Degond and B. Lucquin-Desreux, Math. Models Methods Appl. Sci., 6 (1996), pp. 405-436], we design an AP scheme that captures the specific dynamics of the disparate mass model while maintaining computational efficiency. Numerical experiments demonstrate the effectiveness of the proposed scheme in handling large mass ratios of heavy and light species, as well as capturing the epochal relaxation phenomenon.

The ability to generate 3D multiphase microstructures on-demand with targeted attributes can greatly accelerate the design of advanced materials. Here, we present a conditional latent diffusion model (LDM) framework that rapidly synthesizes high-fidelity 3D multiphase microstructures tailored to user specifications. Using this approach, we generate diverse two-phase and three-phase microstructures at high resolution (volumes of 128 times 128 times 64 voxels, representing >10^6 voxels each) within seconds, overcoming the scalability and time limitations of traditional simulation-based methods. Key design features, such as desired volume fractions and tortuosities, are incorporated as controllable inputs to guide the generative process, ensuring that the output structures meet prescribed statistical and topological targets. Moreover, the framework predicts corresponding manufacturing (processing) parameters for each generated microstructure, helping to bridge the gap between digital microstructure design and experimental fabrication. While demonstrated on organic photovoltaic (OPV) active-layer morphologies, the flexible architecture of our approach makes it readily adaptable to other material systems and microstructure datasets. By combining computational efficiency, adaptability, and experimental relevance, this framework addresses major limitations of existing methods and offers a powerful tool for accelerated materials discovery.

I introduce a novel mathematical framework integrating topological dynamics, operator algebras, and ergodic geometry to study lattices of asynchronous metric dynamical systems. Each node in the lattice carries an internal flow represented by a one-parameter family of operators, evolving on its own time scale. I formalize stratified state spaces capturing multiple levels of synchronized behavior, define an asynchronous evolution metric that quantifies phase-offset distances between subsystems, and characterize emergent coherent topologies arising when subsystems synchronize. Within this framework, I develop formal operators for the evolution of each subsystem and give precise conditions under which phase-aligned synchronization occurs across the lattice. The main results include: (1) the existence and uniqueness of coherent (synchronized) states under a contractive coupling condition, (2) stability of these coherent states and criteria for their emergence as a collective phase transition in a continuous operator topology, and (3) the influence of symmetries, with group-invariant coupling leading to flow-invariant synchrony subspaces and structured cluster dynamics. Proofs are given for each theorem, demonstrating full mathematical rigor. In a final section, I discuss hypothetical applications of this framework to symbolic lattice systems (e.g. subshifts), to invariant group actions on dynamical lattices, and to operator fields over stratified manifolds in the spirit of noncommutative geometry. Throughout, I write in the first person to emphasize the exploratory nature of this work. The paper avoids any reference to cosmology or observers, focusing instead on clean, formal mathematics suitable for a broad array of dynamical systems.

Surface bubbles are an abundant source of aerosols, with important implications for climate processes. In this context, we investigate the stability and thinning dynamics of soap films under effective gravity fields. Experiments are performed using a centrifugal thin-film balance capable of generating accelerations from 0.2 up to 100 times standard gravity, combined with thin-film interferometry to obtain time-resolved thickness maps. Across all experimental conditions, the drainage dynamics are shown to be governed by capillary suction and marginal regeneration-a mechanism in which thick regions of the film are continuously replaced by thin film elements (TFEs) formed at the meniscus. We consistently recover a thickness ratio of 0.8 - 0.9 between the TFEs and the adjacent film, in agreement with previous observations under standard gravity. The measured thinning rates also follow the predicted scaling laws. We identified that gravity has three distinct effects: (i) it induces a strong stretching of the initial film, extending well beyond the linear-elastic regime; (ii) it controls the meniscus size, and thereby the amplitude of the capillary suction and the drainage rate; and (iii) it reveals an inertia-to-viscous transition in the motion of TFEs within the film. These results are supported by theoretical modeling and highlight the robustness of marginal regeneration and capillary-driven drainage under extreme gravity conditions.

Interbasin exchange through the Indo-Pacific gateway supplies salt to the Atlantic and is widely invoked as a control on the stability of the Atlantic overturning circulation. We ask whether that control can act on the equilibrium structure of a conceptual thermohaline model. A closed five-box model with an exact salt invariant is constructed, comprising North Atlantic, upper-limb, Indian, Pacific, and deep reservoirs, with the return flow split between a warm route through the Indian reservoir and a cold route, together with an Indonesian Throughflow branch and an Agulhas retroflection. Adding the steady-state budgets of the gateway reservoirs shows that every internal exchange cancels, so the salt they export to the Atlantic is fixed by the net Atlantic freshwater export alone. This holds independently of the warm-route fraction, the throughflow, the retroflection, and how the export is apportioned among gateway reservoirs; across a parameter sweep the largest departure is of order ten to the minus eleven. The gateway therefore enters as a purely additive forcing and cannot renormalize the salt-advection feedback. Replacing the discrete transit lag by a gamma memory kernel leaves the equilibria unchanged but yields a closed-form threshold for oscillatory instability depending only on kernel shape. Broad memory is strongly stabilizing, and a discrete lag is the least stable member of the family. Because the instantaneous feedback vanishes at the fold, oscillatory instability always precedes the saddle-node, over an interval widening more than tenfold as memory sharpens. Gateways therefore appear to act on transient rather than equilibrium dynamics

Generative machine learning offers new opportunities to better understand complex Earth system dynamics. Recent diffusion-based methods address spectral biases and improve ensemble calibration in weather forecasting compared to deterministic methods, yet have so far proven difficult to scale stably at high resolutions. We introduce AERIS, a 1.3 to 80B parameter pixel-level Swin diffusion transformer to address this gap, and SWiPe, a generalizable technique that composes window parallelism with sequence and pipeline parallelism to shard window-based transformers without added communication cost or increased global batch size. On Aurora (10,080 nodes), AERIS sustains 10.21 ExaFLOPS (mixed precision) and a peak performance of 11.21 ExaFLOPS with 1 times 1 patch size on the 0.25{\deg} ERA5 dataset, achieving 95.5% weak scaling efficiency, and 81.6% strong scaling efficiency. AERIS outperforms the IFS ENS and remains stable on seasonal scales to 90 days, highlighting the potential of billion-parameter diffusion models for weather and climate prediction.

Accurate aerodynamic modeling of satellites in very low Earth orbit (VLEO) requires gas-surface interaction (GSI) models that capture the full velocity spectrum from thermal to orbital speeds. Atmospheric particles initially strike spacecraft surfaces at hypersonic velocities of 6 000 - 10 000 m/s. Due to surface roughness and complex geometries, especially within air-breathing electric propulsion (ABEP) intake systems, multiple collisions occur, progressively reducing the particle velocities. A recent machine learning framework for deriving scattering kernels from molecular dynamics (MD) simulations has shown promise, but remains limited to high-velocity single impacts and possibly violates fundamental equilibrium principles such as detailed balance. This work extends this machine learning based scattering kernel to cover the complete velocity range using conditional normalizing flows trained with physics-informed constraints, enabling accurate modeling of multi-bounce scenarios in realistic VLEO applications. We train a conditional Real-valued Non-Volume Preserving (cRealNVP) model on expanded molecular dynamics simulations covering velocities from thermal to hypersonic speeds, incorporating a detailed balance loss term. The resulting model demonstrates improved accuracy compared to previous approaches even in the original high-velocity regime, while successfully capturing thermal-velocity scattering. Quantitative assessment shows that thermalization is approximated within acceptable tolerances. This framework provides essential capabilities for accurate ABEP intake optimization and VLEO mission planning while offering a general methodology applicable to broader rarefied gas dynamics problems requiring thermodynamic consistency.

The Earth's atmosphere is an aerosol, it contains suspended particles. When air flows over an obstacle such as an aircraft wing or tree branch, these particles may not follow the same paths as the air flowing around the obstacle. Instead the particles in the air may deviate from the path of the air and so collide with the surface of the obstacle. It is known that particle inertia can drive this deposition, and that there is a critical value of this inertia, below which no point particles deposit. Particle inertia is measured by the Stokes number, St. We show that near the critical value of the Stokes number, St_c, the amount of deposition has the unusual scaling law of exp(-1/(St-St_c)^{1/2}). The scaling is controlled by the stagnation point of the flow. This scaling is determined by the time for the particle to reach the surface of the cylinder varying as 1/(St-St_c)^{1/2}, together with the distance away from the stagnation point (perpendicular to the flow direction) increasing exponentially with time. The scaling law applies to inviscid flow, a model for flow at high Reynolds numbers. The unusual scaling means that the amount of particles deposited increases only very slowly above the critical Stokes number. This has consequences for applications ranging from rime formation and fog harvesting to pollination.

Brittle materials subjected to thermal shocks experience strong temperature gradients that in turn give rise to mechanical stresses that can be large enough to induce fracture. This work presents a complete model for phase-field fracture for coupled thermo-mechanical problems, wherein the bulk material properties, the material strength, and the fracture toughness are specified independently. The capabilities of the model are assessed across a wide span of scenarios in thermo-mechanical fracture, from the propagation of large pre-existing cracks to crack nucleation under spatially uniform states of stress. In particular, we revisit the controlled quenching of glass plates, and demonstrate how the model captures experimentally observed crack patterns across a range of thermal loads. Ceramic disks subjected to infrared radiation are also examined, with the model reproducing both straight cracks in notched specimens and branching in intact specimens. Finally, ceramic pellets subjected to rapid power pulses are examined, with the model explaining experimental transitions from intact to fractured pellets and the important role of material strength. The results demonstrate that the complete phase-field model unifies the treatment of distinct fracture scenarios under thermal shock, surpassing classical approaches and enabling more reliable prediction of brittle fracture in extreme environments.

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

Recent diffusion-based image generation backbones have grown substantially in scale, making the network inference cost increase rapidly. While diffusion distillation techniques can reduce the number of inference steps, high-quality image generation within a single full-backbone-forward compute budget remains challenging. Existing one-step methods typically allocate this budget to a single evaluation of a monolithic student. However, approximating the heterogeneous coarse-to-fine transport with a single monolithic mapping is difficult and often leads to over-smoothed outputs. To address this issue, we propose Phase-wise Velocity Distillation (PVD), which partitions the generation timeline into a coarse and a fine phase, and models the transition within each phase via the average velocity. A dedicated half-sized expert is assigned to each phase, decoupling structural composition from detail refinement while keeping the cumulative computation equivalent to one full-backbone forward pass. We show that the use of two half-sized phase-specific experts outperforms a single full-size monolithic student. On class-conditional image generation, PVD achieves an FID of 1.48 on ImageNet 256 x 256. On more complex text-to-image (T2I) tasks, PVD-distilled models (Stable Diffusion 3.5-Medium, FLUX.1-dev, Qwen-Image) produce results competitive with their multi-step teachers, significantly outperforming prior distillation methods. Moreover, across the evaluated T2I backbones, PVD reduces active parameters by 49.10-50.89% and peak VRAM by 45.76-48.36% compared to the corresponding teachers. Source code and distilled models are available at https://github.com/PolyU-VCLab/PVD.

Machine-learning (ML) force fields enable large-scale simulations with near-first-principles accuracy at substantially reduced computational cost. Recent work has extended ML force-field approaches to adiabatic dynamical simulations of condensed-matter lattice models with coupled electronic and structural or magnetic degrees of freedom. However, most existing formulations rely on hand-crafted, symmetry-aware descriptors, whose construction is often system-specific and can hinder generality and transferability across different lattice Hamiltonians. Here we introduce a symmetry-preserving framework based on equivariant neural networks (ENNs) that provides a general, data-driven mapping from local configurations of dynamical variables to the associated on-site forces in a lattice Hamiltonian. In contrast to ENN architectures developed for molecular systems -- where continuous Euclidean symmetries dominate -- our approach aims to embed the discrete point-group and internal symmetries intrinsic to lattice models directly into the neural-network representation of the force field. As a proof of principle, we construct an ENN-based force-field model for the adiabatic dynamics of the Holstein Hamiltonian on a square lattice, a canonical system for electron-lattice physics. The resulting ML-enabled large-scale dynamical simulations faithfully capture mesoscale evolution of the symmetry-breaking phase, illustrating the utility of lattice-equivariant architectures for linking microscopic electronic processes to emergent dynamical behavior in condensed-matter lattice systems.

Water looks unchanged as it warms, then at a critical point it boils. We ask whether long-horizon language agents show an analogous transition in their implicit world models. In some parameter settings, changing state load by a small amount, or adding a single step of horizon, leaves behavior nearly unchanged; near a critical boundary, the same small change causes a sudden world collapse. We study this effect in a deterministic task family with exact per-step gold state. A large grid search over state cardinality, dependency density, horizon, branching, observation mode, and mutation rate reveals a phase diagram: a solved plateau, a narrow transition band, and a collapse floor. Per-step traces show the mechanism: world-state fidelity fails before action validity, so the agent is not merely choosing a bad action; it is acting from a corrupted world. Stronger models translate the critical boundary but do not remove the qualitative transition. These results make world-model collapse a measurable bottleneck for long-horizon agents.

Machine-learning (ML) models, such as the AIFS at the ECMWF, have revolutionised weather forecasting in recent years. We present an extension of the AIFS that jointly models the atmosphere and surface ocean, including ocean waves and sea ice. The primary objective of this extension is to enhance machine-learning medium-range forecasting and enable new use cases by expanding the weather state to better capture coupled surface processes. Our approach departs from traditional numerical models by not having two separate models for the atmosphere and marine components. The joint model instead learns correlations across the entire atmosphere-ocean interface in a component-agnostic way, and can exploit the expressive capacity of ML architectures to learn cross-component relationships directly from the data. We leverage tailored and targeted datasets and solve model design challenges such as missing values over land, multi-scale temporal dynamics, and physical realism of forecast fields and demonstrate the utility of loss scaling in guiding the learning process. We evaluate how representing the surface ocean affects medium-range weather forecasts. We also assess the model's ability to predict surface-ocean fields, including wave swell and tropical-cyclone cold wakes. For nearly all evaluated marine variables, we observe an improvement of approximately one day in forecast skill at medium-range lead times compared to physics-based models. Furthermore, we demonstrate that the model is robust to idealised initial conditions outside the training distribution and responds to them in a physically consistent way. Overall, our findings suggest that the joint AIFS modelling approach offers significant potential for combined atmosphere-ocean forecasting. Our work provides a solid foundation for future development of data-driven coupled Earth system models with greater flexibility and physical fidelity.

Recent JWST observations with NIRCam and MIRI of the ultra-short-period super-Earth 55 Cancri e indicate a possible volatile atmosphere surrounding the planet. Previous analysis of the NIRCam spectra suggested potential absorption features from CO2 or CO and significant sub-weekly variability. The MIRI low-resolution spectrum does not contain substantial features but was found to be consistent with effective heat redistribution models. In this work, we computed a grid of over 25000 self-consistent 1D forward models incorporating H-N-O-C-S-P-Si-Ti equilibrium chemistry and assessed plausible atmospheric compositions based on the current JWST data. Despite exhaustive analysis, the composition and properties of the atmosphere remain elusive. While our results statistically favour a global, hydrogen-free, nitrogen-dominated atmosphere enriched in PO and CO2, various alternative compositions, including H2O-,CO-, PH3-, or Si-bearing remain viable explanations. Unconstrained heat redistribution efficiency and absolute NIRCam flux are among the largest sources of uncertainty in our analysis. We also find that the heat redistribution factor and surface pressure are highly degenerate with atmospheric composition, and that these parameters cannot be independently constrained using current JWST observations. Furthermore, we show that the observed variability may arise from dynamic interactions between the atmosphere and an underlying magma ocean, driving rapid shifts in atmospheric chemistry and thermal emission. Our results highlight the importance of using self-consistent forward models when analysing novel JWST spectra with limited signal-to-noise ratios -- such as those of 55 Cancri e -- as it allows for a more comprehensive evaluation of potential atmospheric scenarios while also being less sensitive to subtle spectral differences than retrievals...

Rate-induced tipping ("R-tipping") in ecological modelling is characterised by too-rapid change of an environmental parameter causing collapse of a population without any bifurcation being crossed ("B-tipping"). A well-known example of a slow-fast predator-prey model in which R-tipping is observed [Vanselow, Wieczorek, Feudel, Journal of Theoretical Biology, 479, 64-72 (2019)] suffers from unecological "resurgence", whereby populations driven to functional extinction recover towards stable coexistence. We propose an analytically tractable model, incorporating a strong Allee effect into the prey dynamics in a slow-fast Lotka-Volterra-type predator-prey system, which induces bistability and thus renders the extinction state a genuine attractor. Applying geometric singular perturbation theory (GSPT), we describe the dynamics of the extended model that is obtained by "ramping" of the inverse prey carrying capacity. We show the presence of a parabolic-shaped, folded critical manifold which admits a folded saddle singularity, the strong canard of which separates solutions that track the moving coexistence state from those that tip to extinction. The analytical simplicity of our model allows us to derive explicit expressions for the critical rate that separates "tracking" from "tipping" dynamics. Finally, we argue that our system represents a minimal model for rate-induced tipping to extinction, in that it incorporates three essential ingredients: bistability, a folded critical manifold, and a folded-saddle-type canard.

Artificial Intelligence (AI) weather models are improving rapidly, and their forecasts are already competitive with long-established traditional Numerical Weather Prediction (NWP). To build confidence in this new methodology, it is critical that we understand how these predictions are generated. This is a huge challenge as these AI weather models remain largely black boxes. In other areas of Machine Learning (ML), mechanistic interpretability has emerged as a framework for understanding ML predictions by analysing the building blocks responsible for them. Here we present an open-source, highly adaptable tool which incorporates concepts from mechanistic interpretability. The tool organises internal latent representations from the model processor and allows for initial analyses, including cosine similarity and Principal Component Analysis (PCA), enabling the user to identify directions in latent space potentially associated with meteorological features. Applying our tool to the graph neural network GraphCast, we present preliminary case studies for mid-latitude synoptic-scale waves and specific humidity. These demonstrate the tool's ability to identify linear combinations of latent channels that appear to correspond to interpretable features.

Weather forecasting is fundamentally challenged by the chaotic nature of the atmosphere, necessitating probabilistic approaches to quantify uncertainty. While traditional ensemble prediction (EPS) addresses this through computationally intensive simulations, recent advances in Bayesian Deep Learning (BDL) offer a promising but often disconnected alternative. We bridge these paradigms through a unified hybrid Bayesian Deep Learning framework for ensemble weather forecasting that explicitly decomposes predictive uncertainty into epistemic and aleatoric components, learned via variational inference and a physics-informed stochastic perturbation scheme modeling flow-dependent atmospheric dynamics, respectively. We further establish a unified theoretical framework that rigorously connects BDL and EPS, providing formal theorems that decompose total predictive uncertainty into epistemic and aleatoric components under the hybrid BDL framework. We validate our framework on the large-scale 40-year ERA5 reanalysis dataset (1979-2019) with 0.25° spatial resolution. Experimental results show that our method not only improves forecast accuracy and yields better-calibrated uncertainty quantification but also achieves superior computational efficiency compared to state-of-the-art probabilistic diffusion models. We commit to making our code open-source upon acceptance of this paper.

Sea ice is governed by highly complex, scale-invariant, and anisotropic processes that are challenging to represent in Earth system models. While advanced numerical models have improved our understanding of the sea-ice dynamics, their computational costs often limit their application in ensemble forecasting and climate simulations. Here, we introduce GenSIM, the first generative AI-based pan-Arctic model that predicts the evolution of all relevant key properties, including concentration, thickness, and drift, in a 12-hour window with improved accuracy over deterministic predictions and high computational efficiency, while remaining physically consistent. Trained on a long simulation from a state-of-the-art sea-ice--ocean system, GenSIM robustly reproduces statistics as observed in numerical models and observations, exhibiting brittle-like short-term dynamics while also depicting the long-term sea-ice decline. Driven solely by atmospheric forcings, we attribute GenSIM's emergent extrapolation capabilities to patterns that reflect the long-term impact of the ocean: it seemingly has learned an internal ocean emulator. This ability to infer slowly evolving climate-relevant dynamics from short-term predictions underlines the large potential of generative models to generalise for unseen climates and to encode hidden physics.

A central challenge for scientific agents is to turn analytical experience into reusable expertise grounded in physical evidence. Here we introduce Gan Jiang, a self-learning agent for powder X-ray diffraction built on a diffraction-analysis ecosystem we developed: XMatcher, XQueryer, XDecomposer and WPEM. Together, these engines span phase identification, multiphase decomposition and physics-constrained whole-pattern modelling. Gan Jiang converts analytical experience into executable skills by diagnosing failures, revising skill instructions and code, and validating revisions before reuse, without retraining the language model or changing the underlying physical models. Skills selected using development data and frozen before held-out evaluation achieve higher refinement scores than the original expert-designed skills across FullProf, GSAS-II and PyWPEM. The agent resolves strongly overlapping reflections, quantifies a five-phase ancient Egyptian cosmetic, tracks lattice evolution in an operating battery and compares atomic configurations in a disordered oxide catalyst. On DeltaXRDbench, it leads the evaluated methods in single- and multiphase identification across simulated and experimental data. Without supplied composition, single-phase top-1 accuracies reach 96.30\%, 81.78\% and 40.83\% on MP500, RRUFF and opXRD, respectively, compared with 58.00\%, 58.47\% and 26.45\% for the strongest comparator. These results demonstrate how an integrated scientific tool ecosystem can support agents that extract structural knowledge from measurements while accumulating validated analytical expertise that transfers to new samples.

Simulating ecohydrological processes is essential for understanding complex environmental systems and guiding sustainable management amid accelerating climate change and human pressures. Process-based models provide physical realism but can suffer from structural rigidity, high computational costs, and complex calibration, while machine learning (ML) methods are efficient and flexible yet often lack interpretability and transferability. We propose a unified three-phase framework that integrates process-based models with ML and progressively embeds them into artificial intelligence (AI) through knowledge distillation. Phase I, behavioral distillation, enhances process models via surrogate learning and model simplification to capture key dynamics at lower computational cost. Phase II, structural distillation, reformulates process equations as modular components within a graph neural network (GNN), enabling multiscale representation and seamless integration with ML models. Phase III, cognitive distillation, embeds expert reasoning and adaptive decision-making into intelligent modeling agents using the Eyes-Brain-Hands-Mouth architecture. Demonstrations for the Samish watershed highlight the framework's applicability to ecohydrological modeling, showing that it can reproduce process-based model outputs, improve predictive accuracy, and support scenario-based decision-making. The framework offers a scalable and transferable pathway toward next-generation intelligent ecohydrological modeling systems, with the potential extension to other process-based domains.

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

We establish a fundamental connection between score-based diffusion models and non-equilibrium thermodynamics by deriving performance limits based on entropy rates. Our main theoretical contribution is a lower bound on the negative log-likelihood of the data that relates model performance to entropy rates of diffusion processes. We numerically validate this bound on a synthetic dataset and investigate its tightness. By building a bridge to entropy rates - system, intrinsic, and exchange entropy - we provide new insights into the thermodynamic operation of these models, drawing parallels to Maxwell's demon and implications for thermodynamic computing hardware. Our framework connects generative modeling performance to fundamental physical principles through stochastic thermodynamics.

Global climate models typically operate at a grid resolution of hundreds of kilometers and fail to resolve atmospheric mesoscale processes, e.g., clouds, precipitation, and gravity waves (GWs). Model representation of these processes and their sources is essential to the global circulation and planetary energy budget, but subgrid scale contributions from these processes are often only approximately represented in models using parameterizations. These parameterizations are subject to approximations and idealizations, which limit their capability and accuracy. The most drastic of these approximations is the "single-column approximation" which completely neglects the horizontal evolution of these processes, resulting in key biases in current climate models. With a focus on atmospheric GWs, we present the first-ever global simulation of atmospheric GW fluxes using machine learning (ML) models trained on the WINDSET dataset to emulate global GW emulation in the atmosphere, as an alternative to traditional single-column parameterizations. Using an Attention U-Net-based architecture trained on globally resolved GW momentum fluxes, we illustrate the importance and effectiveness of global nonlocality, when simulating GWs using data-driven schemes.

Accurate short-term prediction of clouds and precipitation is critical for severe weather warnings, aviation safety, and renewable energy operations. Forecasts at this timescale are provided by numerical weather models and extrapolation methods, both of which have limitations. Mesoscale numerical weather prediction models provide skillful forecasts at these scales but require significant modeling expertise and computational infrastructure, which limits their accessibility. Extrapolation-based methods are computationally lightweight but degrade rapidly beyond 1-2 hours. This presents an opportunity for data-driven forecasting directly from observations using geostationary satellites and ground-based radar, which provide high-frequency, high-resolution observations that capture mesoscale atmospheric evolution. We introduce Stormscope, a family of transformer-based generative diffusion models trained on high-resolution, multi-band geostationary satellite imagery and ground-based weather radar over the continental United States. Stormscope produces forecasts at a temporal resolution of 10 minutes and 6 kilometer spatial resolution, which are competitive with state-of-the-art mesoscale NWP models for lead times up to 6 hours. Its generative architecture enables large ensemble forecasts of explicit mesoscale dynamics for robust uncertainty quantification. Evaluated against extrapolation methods and operational mesoscale NWP models, Stormscope achieves leading performance on standard deterministic and probabilistic verification metrics across forecast horizons from 1 to 6 hours. As Stormscope relies on globally available satellite observations (and radar where available), it offers a pathway to extend skillful mesoscale forecasting to oceanic regions and countries without strong operational mesoscale modeling programs.

Steady-state electrothermal systems involve strongly coupled heat transfer, fluid flow, and electric-potential transport, creating severe numerical challenges for standard physics-informed neural networks (PINNs) due to stark disparities in gradient scales and residual stiffnesses across the physical fields. To resolve these multiphysics bottlenecks, we introduce a Long Short-Term Memory PINN (LSTM-PINN) framework that utilizes a depth-recursive memory mechanism to preserve long-range spatial feature dependencies and maintain strict cross-field consistency. The proposed architecture is rigorously evaluated against conventional and attention-based networks across a unified five-field formulation encompassing four complex convective and drag regimes: Boussinesq electrothermal flow, drift-potential gauge-constrained transport, strong buoyancy-coupled convection, and Brinkman--Forchheimer drift. Quantitative and visual analyses demonstrate that LSTM-PINN successfully suppresses non-physical artifacts and structural distortions, yielding the highest thermodynamic fidelity and consistently outperforming state-of-the-art baselines in global error metrics. Ultimately, this memory-enhanced approach provides a highly robust and accurate computational baseline for capturing localized boundary layers and complex energy-momentum feedback in advanced electrothermal energy systems.

Warm-sector heavy rainfall often occurs along the coast of South China, and it is usually localized and long-lasting, making it challenging to predict. High-resolution numerical weather prediction (NWP) models are increasingly used to better resolve topographic features and forecast such high-impact weather events. However, when the grid spacing becomes comparable to the length scales of convection, known as the gray zone, the turbulent eddies in the atmospheric boundary layer are only partially resolved and parameterized to some extent. Whether using a convection parameterization (CP) scheme in the gray zone remains controversial. Scale-aware CP schemes are developed to enhance the representation of convective transport within the gray zone. The multi-scale Kain-Fritsch (MSKF) scheme includes modifications that allow for its effective implementation at a grid resolution as high as 2 km. In recent years, there has been an increasing application of machine learning (ML) models to various domains of atmospheric sciences, including the replacement of physical parameterizations with ML models. This work proposes a multi-output bidirectional long short-term memory (Bi-LSTM) model as a replace the scale-aware MSKF CP scheme. The Weather Research and Forecast (WRF) model is used to generate training and testing data over South China at a horizontal resolution of 5 km. Furthermore, the WRF model is coupled with the ML based CP scheme and compared with WRF simulations with original MSKF scheme. The results demonstrate that the Bi-LSTM model can achieve high accuracy, indicating the potential use of ML models to substitute the MSKF scheme in the gray zone.

Most state-of-the-art approaches for weather and climate modeling are based on physics-informed numerical models of the atmosphere. These approaches aim to model the non-linear dynamics and complex interactions between multiple variables, which are challenging to approximate. Additionally, many such numerical models are computationally intensive, especially when modeling the atmospheric phenomenon at a fine-grained spatial and temporal resolution. Recent data-driven approaches based on machine learning instead aim to directly solve a downstream forecasting or projection task by learning a data-driven functional mapping using deep neural networks. However, these networks are trained using curated and homogeneous climate datasets for specific spatiotemporal tasks, and thus lack the generality of numerical models. We develop and demonstrate ClimaX, a flexible and generalizable deep learning model for weather and climate science that can be trained using heterogeneous datasets spanning different variables, spatio-temporal coverage, and physical groundings. ClimaX extends the Transformer architecture with novel encoding and aggregation blocks that allow effective use of available compute while maintaining general utility. ClimaX is pre-trained with a self-supervised learning objective on climate datasets derived from CMIP6. The pre-trained ClimaX can then be fine-tuned to address a breadth of climate and weather tasks, including those that involve atmospheric variables and spatio-temporal scales unseen during pretraining. Compared to existing data-driven baselines, we show that this generality in ClimaX results in superior performance on benchmarks for weather forecasting and climate projections, even when pretrained at lower resolutions and compute budgets.

The state of the art for physical hazard prediction from weather and climate requires expensive km-scale numerical simulations driven by coarser resolution global inputs. Here, a generative diffusion architecture is explored for downscaling such global inputs to km-scale, as a cost-effective machine learning alternative. The model is trained to predict 2km data from a regional weather model over Taiwan, conditioned on a 25km global reanalysis. To address the large resolution ratio, different physics involved at different scales and prediction of channels beyond those in the input data, we employ a two-step approach where a UNet predicts the mean and a corrector diffusion (CorrDiff) model predicts the residual. CorrDiff exhibits encouraging skill in bulk MAE and CRPS scores. The predicted spectra and distributions from CorrDiff faithfully recover important power law relationships in the target data. Case studies of coherent weather phenomena show that CorrDiff can help sharpen wind and temperature gradients that co-locate with intense rainfall in cold front, and can help intensify typhoons and synthesize rain band structures. Calibration of model uncertainty remains challenging. The prospect of unifying methods like CorrDiff with coarser resolution global weather models implies a potential for global-to-regional multi-scale machine learning simulation.

This paper exposes the ergodic ceiling and thermodynamic inefficiency of current deep learning, which converges to a statistical average of historic human knowledge. True semantic novelty requires a path-dependent, spatiotemporally bounded observer (a Data LifeCone) to inject non-ergodic insight, achieving KL divergence and avoiding manifold lock-in. AI Safety must recognise that a mature Artificial Superintelligence (ASI) would regard human-AI symbiosis as a thermodynamic necessity to avoid model collapse. We therefore propose hard physical containment via a digital physics sandbox powered by a Holographic E8 Projection Engine to verify models against real-world constraints. Spacetime is modeled as an information substrate of nested face-centered cubic (FCC) lattices of oscillating Planck-scale spheres maximizing local information and entropy density. Cut-and-project methods from the E8 root lattice produce a quasi-crystalline geometry where tetrahedral voids support SU chiral structure and elastic-shear eigenvalues generate candidate mass spectra. Rest mass is treated as discrete, integer microstate counts on local holographic boundaries (Bekenstein bound), replacing floating-point approximations with strict integer arithmetic to provide an information-theoretic definition of matter. Stable particles emerge as recurring lattice dislocations, and continuum recovery proceeds via variational renormalisation-group flows and Fourier Neural Operators that learn continuous spectral operators to recover the Schrödinger equation as an emergent statistical description. Crucially, these top-down topological constraints offer a mechanism for "NP-to-P" complexity collapse: by restricting an algorithm's proposal space to physically conserved causal trajectories, the sandbox prunes the combinatorial tree to deterministic, polynomial-time paths.

We numerically study excitation transfer in an artificial LH1-RC complex -- an N-site donor ring coupled to a central acceptor -- driven by a narrowband optical mode and evolved under a Lindblad master equation with loss and dephasing. In the absence of disorder, the light-driven system exhibits a tall, narrow on-resonance efficiency peak (near unity for our parameters); dephasing lowers and narrows this peak without shifting its position. Off resonance, the efficiency shows environmentally assisted transport with a clear non-monotonic dependence on dephasing and a finite optimum. Under static disorder, two regimes emerge: photon-ring coupling and diagonal energetic disorder mix the drive into dark ring modes, activate dissipative channels, and depress efficiency over a detuning window, whereas intra-ring coupling disorder has a much smaller impact in the tested range; increasing the intra-ring coupling g moves dark-mode crossings away from the operating detuning and restores near-peak performance. In the ordered, symmetric, single-excitation, narrowband limit we analytically derive closed-form transfer efficiencies by projecting onto the k{=}0 bright mode and solving the photon--bright mode--acceptor trimer via a Laplace/linear-algebra (determinant) formula; these expressions include a probability-conservation identity eta + sum_k L_k = 1 that benchmarks the simulations and quantitatively predicts the resonant line shape and its dephasing-induced narrowing. A minimal ring toy model further reproduces coherent trapping and its relief by moderate dephasing (ENAQT). These analytics are exact in the ordered limit and serve as mechanistic guides outside this limit, yielding practical design rules for robust, bio-inspired light-harvesting devices.

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

Common moment-based radiative transfer methods, such as flux-limited diffusion (FLD) and the M1 closure, suffer from artificial interactions between crossing beams. In protoplanetary disks, this leads to an overestimation of the midplane temperature due to the merging of inward and outward vertical fluxes. Methods that avoid these artifacts typically require angular discretization, which can be computationally expensive. In the spirit of the two-stream approximation, we introduced a half-moment (HM) closure that integrates the radiative intensity over hemispheres, thereby suppressing beam interactions along a fixed spatial direction. We derived a multidimensional HM closure via entropy maximization and replaced this closure with an approximate expression that closely matches it, coinciding with it in the diffusion and free-streaming regimes while remaining expressible through simple operations. We implemented HM and M1 closures via implicit-explicit schemes, including multiple frequency groups. We tested these methods in numerical benchmarks such as computing the temperature in an irradiated disk around a T Tauri star, comparing our results with Monte Carlo (MC) radiative transfer simulations. The HM closure correctly reproduces the diffusion limit and prevents crossing flux interactions in a chosen spatial direction. In disk simulations, our multigroup HM method closely matches midplane temperature distributions obtained with classical MC methods. While the M1 closure produces midplane temperatures 44% higher than MC with one frequency group and 21% higher with 22 groups, HM reduces this discrepancy to 6% with 22 groups. Even with just three groups, HM significantly outperforms M1, with maximum departures of 8% compared to M1's 23%. Our results show that combining HM with a multigroup treatment yields more realistic disk temperatures than M1, particularly in optically thick regions.

Full-complexity Earth system models (ESMs) are computationally very expensive, limiting their use in exploring the climate outcomes of multiple emission pathways. More efficient emulators that approximate ESMs can directly map emissions onto climate outcomes, and benchmarks are being used to evaluate their accuracy on standardized tasks and datasets. We investigate a popular benchmark in data-driven climate emulation, ClimateBench, on which deep learning-based emulators are currently achieving the best performance. We implement a linear regression-based emulator, akin to pattern scaling, and find that it outperforms the incumbent 100M-parameter deep learning foundation model, ClimaX, on 3 out of 4 regionally-resolved surface-level climate variables. While emulating surface temperature is expected to be predominantly linear, this result is surprising for emulating precipitation. We identify that this outcome is a result of high levels of internal variability in the benchmark targets. To address internal variability, we update the benchmark targets with ensemble averages from the MPI-ESM1.2-LR model that contain 50 instead of 3 climate simulations per emission pathway. Using the new targets, we show that linear pattern scaling continues to be more accurate on temperature, but can be outperformed by a deep learning-based model for emulating precipitation. We publish our code, data, and an interactive tutorial at github.com/blutjens/climate-emulator.

Blocking events are an important cause of extreme weather, especially long-lasting blocking events that trap weather systems in place. The duration of blocking events is, however, underestimated in climate models. Explainable Artificial Intelligence are a class of data analysis methods that can help identify physical causes of prolonged blocking events and diagnose model deficiencies. We demonstrate this approach on an idealized quasigeostrophic model developed by Marshall and Molteni (1993). We train a convolutional neural network (CNN), and subsequently, build a sparse predictive model for the persistence of Atlantic blocking, conditioned on an initial high-pressure anomaly. Shapley Additive ExPlanation (SHAP) analysis reveals that high-pressure anomalies in the American Southeast and North Atlantic, separated by a trough over Atlantic Canada, contribute significantly to prediction of sustained blocking events in the Atlantic region. This agrees with previous work that identified precursors in the same regions via wave train analysis. When we apply the same CNN to blockings in the ERA5 atmospheric reanalysis, there is insufficient data to accurately predict persistent blocks. We partially overcome this limitation by pre-training the CNN on the plentiful data of the Marshall-Molteni model, and then using Transfer Learning to achieve better predictions than direct training. SHAP analysis before and after transfer learning allows a comparison between the predictive features in the reanalysis and the quasigeostrophic model, quantifying dynamical biases in the idealized model. This work demonstrates the potential for machine learning methods to extract meaningful precursors of extreme weather events and achieve better prediction using limited observational data.

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

Artificial Intelligence (AI) weather prediction (AIWP) models are powerful tools for medium-range forecasts but often lack physical consistency, leading to outputs that violate conservation laws. This study introduces a set of novel physics-based schemes designed to enforce the conservation of global dry air mass, moisture budget, and total atmospheric energy in AIWP models. The schemes are highly modular, allowing for seamless integration into a wide range of AI model architectures. Forecast experiments are conducted to demonstrate the benefit of conservation schemes using FuXi, an example AIWP model, modified and adapted for 1.0-degree grid spacing. Verification results show that the conservation schemes can guide the model in producing forecasts that obey conservation laws. The forecast skills of upper-air and surface variables are also improved, with longer forecast lead times receiving larger benefits. Notably, large performance gains are found in the total precipitation forecasts, owing to the reduction of drizzle bias. The proposed conservation schemes establish a foundation for implementing other physics-based schemes in the future. They also provide a new way to integrate atmospheric domain knowledge into the design and refinement of AIWP models.

Controlling the evolution of complex physical systems is a fundamental task across science and engineering. Classical techniques suffer from limited applicability or huge computational costs. On the other hand, recent deep learning and reinforcement learning-based approaches often struggle to optimize long-term control sequences under the constraints of system dynamics. In this work, we introduce Diffusion Physical systems Control (DiffPhyCon), a new class of method to address the physical systems control problem. DiffPhyCon excels by simultaneously minimizing both the learned generative energy function and the predefined control objectives across the entire trajectory and control sequence. Thus, it can explore globally and plan near-optimal control sequences. Moreover, we enhance DiffPhyCon with prior reweighting, enabling the discovery of control sequences that significantly deviate from the training distribution. We test our method on three tasks: 1D Burgers' equation, 2D jellyfish movement control, and 2D high-dimensional smoke control, where our generated jellyfish dataset is released as a benchmark for complex physical system control research. Our method outperforms widely applied classical approaches and state-of-the-art deep learning and reinforcement learning methods. Notably, DiffPhyCon unveils an intriguing fast-close-slow-open pattern observed in the jellyfish, aligning with established findings in the field of fluid dynamics. The project website, jellyfish dataset, and code can be found at https://github.com/AI4Science-WestlakeU/diffphycon.

Simulating trajectories of multi-particle systems on complex energy landscapes is a central task in molecular dynamics (MD) and drug discovery, but remains challenging at scale due to computationally expensive and long simulations. Previous approaches leverage techniques such as flow or Schrödinger bridge matching to implicitly learn joint trajectories through data snapshots. However, many systems, including biomolecular systems and heterogeneous cell populations, undergo dynamic interactions that evolve over their trajectory and cannot be captured through static snapshots. To close this gap, we introduce Entangled Schrödinger Bridge Matching (EntangledSBM), a framework that learns the first- and second-order stochastic dynamics of interacting, multi-particle systems where the direction and magnitude of each particle's path depend dynamically on the paths of the other particles. We define the Entangled Schrödinger Bridge (EntangledSB) problem as solving a coupled system of bias forces that entangle particle velocities. We show that our framework accurately simulates heterogeneous cell populations under perturbations and rare transitions in high-dimensional biomolecular systems.

3D Gaussian Splatting has recently enabled fast and photorealistic reconstruction of static 3D scenes. However, dynamic editing of such scenes remains a significant challenge. We introduce a novel framework, Physics-Guided Score Distillation, to address a fundamental conflict: physics simulation provides a strong motion prior that is insufficient for photorealism , while video-based Score Distillation Sampling (SDS) alone cannot generate coherent motion for complex, multi-particle scenarios. We resolve this through a unified optimization framework where physics simulation guides Score Distillation to jointly refine the motion prior for photorealism while simultaneously optimizing appearance. Specifically, we learn a neural dynamics model that predicts particle motion and appearance, optimized end-to-end via a combined loss integrating Video-SDS for photorealism with our physics-guidance prior. This allows for photorealistic refinements while ensuring the dynamics remain plausible. Our framework enables scene-wide dynamic weather effects, including snowfall, rainfall, fog, and sandstorms, with physically plausible motion. Experiments demonstrate our physics-guided approach significantly outperforms baselines, with ablations confirming this joint refinement is essential for generating coherent, high-fidelity dynamics.

How momentum, energy, and magnetic fields are transported in the presence of macroscopic gradients is a fundamental question in plasma physics. Answering this question is especially challenging for weakly collisional, magnetized plasmas, where macroscopic gradients influence the plasma's microphysical structure. In this paper, we introduce thermodynamic forcing, a new method for systematically modeling how macroscopic gradients in magnetized or unmagnetized plasmas shape the distribution functions of constituent particles. In this method, we propose to apply an anomalous force to those particles inducing the anisotropy that would naturally emerge due to macroscopic gradients in weakly collisional plasmas. We implement thermodynamic forcing in particle-in-cell (TF-PIC) simulations using a modified Vay particle pusher and validate it against analytic solutions of the equations of motion. We then carry out a series of simulations of electron-proton plasmas with periodic boundary conditions using TF-PIC. First, we confirm that the properties of two electron-scale kinetic instabilities -- one driven by a temperature gradient and the other by pressure anisotropy -- are consistent with previous results. Then, we demonstrate that in the presence of multiple macroscopic gradients, the saturated state can differ significantly from current expectations. This work enables, for the first time, systematic and self-consistent transport modeling in weakly collisional plasmas, with broad applications in astrophysics, laser-plasma physics, and inertial confinement fusion.

Here, we describe Monthly Diffusion at 1.5-degree grid spacing (MD-1.5 version 0.9), a climate emulator that leverages a spherical Fourier neural operator (SFNO)-inspired Conditional Variational Auto-Encoder (CVAE) architecture to model the evolution of low-frequency internal atmospheric variability using latent diffusion. MDv0.9 was designed to forward-step at monthly mean timesteps in a data-sparse regime, using modest computational requirements. This work describes the motivation behind the architecture design, the MDv0.9 training procedure, and initial results.

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

Data-driven deep learning models are transforming global weather forecasting. It is an open question if this success can extend to climate modeling, where the complexity of the data and long inference rollouts pose significant challenges. Here, we present the first conditional generative model that produces accurate and physically consistent global climate ensemble simulations by emulating a coarse version of the United States' primary operational global forecast model, FV3GFS. Our model integrates the dynamics-informed diffusion framework (DYffusion) with the Spherical Fourier Neural Operator (SFNO) architecture, enabling stable 100-year simulations at 6-hourly timesteps while maintaining low computational overhead compared to single-step deterministic baselines. The model achieves near gold-standard performance for climate model emulation, outperforming existing approaches and demonstrating promising ensemble skill. This work represents a significant advance towards efficient, data-driven climate simulations that can enhance our understanding of the climate system and inform adaptation strategies.

Artificial Intelligence (AI) weather prediction (AIWP) models often produce "blurry" precipitation forecasts that overestimate drizzle and underestimate extremes. This study provides a novel solution to tackle this problem -- integrating terrain-following coordinates with global mass and energy conservation schemes into AIWP models. Forecast experiments are conducted to evaluate the effectiveness of this solution using FuXi, an example AIWP model, adapted to 1.0-degree grid spacing data. Verification results show large performance gains. The conservation schemes are found to reduce drizzle bias, whereas using terrain-following coordinates improves the estimation of extreme events and precipitation intensity spectra. Furthermore, a case study reveals that terrain-following coordinates capture near-surface winds better over mountains, offering AIWP models more accurate information on understanding the dynamics of precipitation processes. The proposed solution of this study can benefit a wide range of AIWP models and bring insights into how atmospheric domain knowledge can support the development of AIWP models.

Weather forecasting is a fundamental problem for protecting lives and infrastructure from high-impact atmospheric events. Recently, data-driven weather forecasting methods based on deep learning have demonstrated strong performance, often reaching accuracy levels competitive with operational numerical systems. However, many existing models rely on large-scale training regimes and compute-intensive architectures, which raises the practical barrier for academic groups with limited compute resources. Here we introduce Sonny, an efficient hierarchical transformer that achieves competitive medium-range forecasting performance while remaining feasible within reasonable compute budgets. At the core of Sonny is a two-stage StepsNet design: a narrow slow path first models large-scale atmospheric dynamics, and a subsequent full-width fast path integrates thermodynamic interactions. To stabilize medium-range rollout without an additional fine-tuning stage, we apply exponential moving average (EMA) during training. On WeatherBench2, Sonny yields robust medium-range forecast skill, remains competitive with operational baselines, and demonstrates clear advantages over FastNet, particularly at extended tropical lead times. In practice, Sonny can be trained to convergence on a single NVIDIA A40 GPU in approximately 5.5 days.

We develop a direct paradifferential approach to nonlinear graph integral operators arising in contour dynamics. The main methodological result is an abstract structure-preserving paralinearization theorem, valid in arbitrary dimension, for a class of homogeneous kernels whose nonlinear dependence on the graph is expressed through normalized finite differences. The theorem covers both critical principal-value kernels and subcritical locally integrable kernels, gives explicit formulas for the principal symbols, and separates the finite-order symbolic contribution generated by the homogeneous singularity from order-zero far-field terms and arbitrarily smoothing remainders. A structural feature of the reduction is the cancellation of the intermediate symbolic order; at the critical endpoint the construction also preserves the exact skew-adjoint structure of the original singular integral. As a main application, we consider the three-dimensional two-phase free-boundary Euler equations with constant interfacial background vorticity. We first derive an autonomous contour-dynamics equation in canonical surface variables and then apply the abstract theorem directly to the singular integral operators generated by the Birkhoff--Rott formulation. This yields the complete paradifferential structure of the system without taking the Dirichlet--Neumann reduction as a starting point. After introducing an Alinhac good unknown and diagonalizing the resulting system, we obtain local well-posedness for small Sobolev perturbations in the stable Kelvin--Rayleigh--Taylor regime, uniformly on compact subsets of the stable parameter set.

Climate modeling is reaching unprecedented resolution, producing petabytes of data. AI climate model emulators offer a path to computationally cheap analysis, enabling new scientific insight and scenario planning. Recent advances show promise in faithfully emulating climate data. However, prevailing auto-regressive paradigms are difficult to train on climate time horizons due to drifts, instabilities, and component-coupling challenges. They are hard to scale to high resolution and require sifting through troves of output to identify rare extremes of interest. We present Climate in a Bottle (cBottle), a generative diffusion-based framework emulating global 5 km climate simulations and reanalysis on the HEALPix grid. cBottle samples directly from the full distribution of atmospheric states, avoiding auto-regressive rollout, and is the first to reach this 12.5M-pixel global resolution. It consists of two stages: a coarse-resolution generator conditioned on sea surface temperatures and solar position, followed by a patch-based 16x super-resolution stage. cBottle passes a battery of tests, including diurnal-to-seasonal variability, large-scale modes of variability, tropical cyclone statistics, and trends of climate change and weather extremes. It is a step toward a foundation model: bridging data modalities (reanalysis and simulation), enabling zero-shot bias correction, downscaling, and data infilling. It also enables new interactivity via guided diffusion. For example, we train a tropical cyclone (TC) classifier alongside the generator, guide towards TC states, and obtain physically credible samples. This opens the door to guidance methods for a wide array of user queries and new ways of interacting with climate data.

We study the response of mono-energetic stellar populations with initially isotropic kinematics to impulsive and adiabatic changes to an underlying dark matter potential. Half-light radii expand and velocity dispersions decrease as enclosed dark matter is removed. The details of this expansion and cooling depend on the time scale on which the underlying potential changes. In the adiabatic regime, the product of half-light radius and average velocity dispersion is conserved. We show that the stellar populations maintain centrally isotropic kinematics throughout their adiabatic evolution, and their densities can be approximated by a family of analytical radial profiles. Metallicity gradients within the galaxy flatten as dark matter is slowly removed. In the case of strong impulsive perturbations, stellar populations develop power-law-like density tails with radially biased kinematics. We show that the distribution of stellar binding energies within the dark matter halo substantially widens after an impulsive perturbation, no matter the sign of the perturbation. This allows initially energetically separated stellar populations to mix, to the extent that previously chemo-dynamically distinct populations may masquerade as a single population with large metallicity and energy spread. Finally, we show that in response to an impulsive perturbation, stellar populations that are deeply embedded in cored dark matter halos undergo a series of damped oscillations before reaching a virialised equilibrium state, driven by inefficient phase mixing in the harmonic potentials of cored halos. This slow return to equilibrium adds substantial systematic uncertainty to dynamical masses estimated from Jeans modeling or the virial theorem.

We introduce Lagrangian Flow Networks (LFlows) for modeling fluid densities and velocities continuously in space and time. By construction, the proposed LFlows satisfy the continuity equation, a PDE describing mass conservation in its differentiable form. Our model is based on the insight that solutions to the continuity equation can be expressed as time-dependent density transformations via differentiable and invertible maps. This follows from classical theory of the existence and uniqueness of Lagrangian flows for smooth vector fields. Hence, we model fluid densities by transforming a base density with parameterized diffeomorphisms conditioned on time. The key benefit compared to methods relying on numerical ODE solvers or PINNs is that the analytic expression of the velocity is always consistent with changes in density. Furthermore, we require neither expensive numerical solvers, nor additional penalties to enforce the PDE. LFlows show higher predictive accuracy in density modeling tasks compared to competing models in 2D and 3D, while being computationally efficient. As a real-world application, we model bird migration based on sparse weather radar measurements.

This paper formalizes threshold-based selection as an evaluation-gating architecture in which each incumbent is tested before variation and a replacement is generated and evaluated only when contextual pressure exceeds intrinsic strength. The mechanism is instantiated as Leaf Abscission Optimization (LAO), using rank-based strength, a phenological seasonal signal, diversity modulation, environmental pressure, and a base regrowth kernel. A blocked two-to-the-fourth-power factorial analysis at dimension 10 on the CEC 2017 suite reduces the original multi-layer design to a parsimonious core: drift is harmful, while the other three auxiliary layers show no robust independent evidence of benefit. The resulting LAO-Core attains the third-best mean Friedman rank among nine optimizers at dimensions 10, 30, and 50 under the equal evaluation budget. A four-budget sweep shows budget-dependent relative performance, with adaptive differential-evolution baselines gaining relative advantage at larger budgets; the nine-cell dimension-budget analysis establishes neither an evaluation-budget-per-dimension-only law nor a statistically significant dimension-budget interaction. A paired intervention shows that diversity modulation changes late-run replacement behaviour without a detectable effect on final error at the tested budget. The evidence supports LAO as a parsimonious evaluation-gating mechanism with regime-qualified competitiveness, rather than as a generally superior optimizer.

Phenotypic plasticity, the ability of cells to switch between states, is central to development, differentiation, and therapy resistance. Although it is modeled at several scales, from compartmental ODEs to phenotype-structured PDEs and single-cell stochastic equations, a framework connecting these descriptions is missing. We present such a framework. Starting from a general n-compartment ODE model encompassing nonlinear growth and linear transitions between phenotypes, we show, with a new, elementary and generalizable proof of a recent theorem, that under uniform competition, the long-term population distribution is solely governed by transition rates. All phenotypes become selectively neutral at saturation, and the imprint of fitness differences during growth fades at an explicit rate. Restricting transitions to neighboring states transforms the model into a discretization of a phenotype-structured reaction-diffusion-advection PDE. In this continuum model, diffusion and advection are identified from switching rates, and fitness remains asymptotically irrelevant. Interpreting the advection velocity as the negative gradient of an effective epigenetic potential transforms the PDE into a Fokker--Planck equation and converts single-cell trajectories into stochastic gradient descent (SGD) in the Langevin sense on the phenotypic landscape. Non-local transitions, such as mutations, are incorporated via an integro-differential term, yielding a unified model with reaction, gradient flow, diffusion, and jumps. State-dependent noise reshapes the effective landscape without altering the underlying potential. This gives cancer a route to elevated plasticity that static, single-cell snapshots cannot distinguish from a changed landscape. This framework provides a physical interpretation of Waddington's landscape, where cells perform SGD, and cancer corresponds to a corrupted landscape.