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At least 631 records · Page 35

Generative Ensemble Regression: Learning Particle Dynamics from Observations of Ensembles with Physics-informed Deep Generative Models

Here, we propose a new method for inferring the governing stochastic ordinary differential equations (SODEs) by observing particle ensembles at discrete and sparse time instants, i.e., multiple “snapshots.” Particle coordinates at a single time instant, possibly noisy or truncated, are recorded in each snapshot but are unpaired across the snapshots. By training a physics-informed generative model that generates “fake” sample paths, we aim to fit the observed particle ensemble distributions with a curve in the probability measure space, which is induced from the inferred particle dynamics. We employ different metrics to quantify the differences between distributions, e.g., the sliced Wasserstein distances and the adversarial losses in generative adversarial networks. We refer to this method as generative “ensemble-regression” (GER), in analogy to the classic “point-regression,” where we infer the dynamics by performing regression in the Euclidean space. We illustrate the GER by learning the drift and diffusion terms of particle ensembles governed by SODEs with Brownian motions and Lévy processes up to 100 dimensions. We also discuss how to treat cases with noisy or truncated observations. Apart from systems consisting of independent particles, we also tackle nonlocal interacting particle systems with unknown interaction potential parameters by constructing a physics-informed loss function. Finally, we investigate scenarios of paired observations and discuss how to reduce the dimensionality in such cases by proving a convergence theorem that provides theoretical support.

97 MATHEMATICS AND COMPUTING↗

Evaluation of a high-resolution regional climate simulation for surface and hub-height wind climatology over North America

Assessing the availability of key wind resources requires augmenting observations to support the implementation of wind energy infrastructure. However, observations are limited, necessitating the development of high-resolution, long-term gridded datasets. This study presents a robust, dynamically downscaled climatological dataset, offering 20 years of hourly wind data at a 4 km spatial resolution across North America, and evaluates its performance against observations, including meteorological towers and automated surface-observing system (ASOS) stations, as well as coarse-resolution reanalysis data (the European Centre for Medium-Range Weather Forecasts (ECMWF) reanalysis version 5 (ERA5)). Results demonstrate that the downscaled high-resolution wind data outperform ERA5 in regions of complex terrain and coastal areas, with improved overlap coefficients for wind data distributions and reduced root mean square errors (RMSEs) for hub-height and near-surface diurnal wind patterns. The downscaled simulation also captures the synoptic drivers of seasonal wind direction patterns reasonably well, indicated by high wind rose similarity indices. This study also provides an analysis of interannual variability, utilizing the dataset's full 20-year period, and model uncertainty, generated by varying model initial conditions and physics parameterizations across 1-year ensemble members, which are key considerations for wind resource assessment in wind farm development.

17 WIND ENERGY↗

Reduced‐Order Probabilistic Emulation of Physics‐Based Ring Current Models: Application to RAM‐SCB Particle Flux

Abstract In this work, we address the computational challenge of large‐scale physics‐based simulation models for the ring current. Reduced computational cost allows for significantly faster than real‐time forecasting, enhancing our ability to predict and respond to dynamic changes in the ring current, valuable for space weather monitoring and mitigation efforts. Additionally, it can also be used for a comprehensive investigation of the system. Thus, we aim to create an emulator for the Ring current‐Atmosphere interactions Model with Self‐Consistent magnetic field (RAM‐SCB) particle flux that not only improves efficiency but also facilitates forecasting with reliable estimates of prediction uncertainties. The probabilistic emulator is built upon the methodology developed by Licata and Mehta (2023), https://doi.org/10.1029/2022sw003345 . A novel discrete sampling is used to identify 30 simulation periods over 20 years of solar and geomagnetic activity. Focusing on a subset of particle flux, we use Principal Component Analysis for dimensionality reduction and Long Short‐Term Memory (LSTM) neural networks to perform dynamic modeling. Hyperparameter space was explored extensively resulting in about 5% median symmetric accuracy across all data sets for one‐step dynamic prediction. Using a hierarchical ensemble of LSTMs, we have developed a reduced‐order probabilistic emulator (ROPE) tailored for time‐series forecasting of particle flux in the ring current. This ROPE offers accurate predictions of omnidirectional flux at a single energy with no pitch angle information, providing robust predictions on the test set with an error score below 11% and calibration scores under 8% with bias under 2% providing a significant speed up as compared to the full RAM‐SCB run.

79 ASTRONOMY AND ASTROPHYSICS↗

Lithium Metal Battery Quality Control via Transformer–CNN Segmentation

Lithium metal battery (LMB) has the potential to be the next-generation battery system because of its high theoretical energy density. However, defects known as dendrites are formed by heterogeneous lithium (Li) plating, which hinders the development and utilization of LMBs. Non-destructive techniques to observe the dendrite morphology often use X-ray computed tomography (XCT) to provide cross-sectional views. To retrieve three-dimensional structures inside a battery, image segmentation becomes essential to quantitatively analyze XCT images. This work proposes a new semantic segmentation approach using a transformer-based neural network called TransforCNN that is capable of segmenting out dendrites from XCT data. In addition, we compare the performance of the proposed TransforCNN with three other algorithms, U-Net, Y-Net, and E-Net, consisting of an ensemble network model for XCT analysis. Our results show the advantages of using TransforCNN when evaluating over-segmentation metrics, such as mean intersection over union (mIoU) and mean Dice similarity coefficient (mDSC), as well as through several qualitatively comparative visualizations.

Quenum, Jerome (ORCID:0000000271265853)↗

CANShield: Signal-based Intrusion Detection for Controller Area Networks

Modern vehicles rely on complex cyber-physical systems made up of hundreds of electronic control units (ECUs) connected through controller area network (CAN) buses. However, the CAN bus attack surface is increasing due to advanced features in automobiles, making it prone to injection attacks. The ordinary injection attacks disrupt the typical timing properties of the CAN data stream, and the rule-based intrusion detection systems (IDS) can easily detect them. However, advanced attackers can inject false data to the signal level, maintaining the regular pattern/frequency of the CAN messages. Such attacks can bypass the rule-based IDS or any anomaly-based IDS built on binary payload data. To make the vehicles robust against such intelligent attacks, we propose CANShield, a signal-based intrusion detection framework for the CAN bus that consists of three modules. A data preprocessing module handles the high-dimensional CAN data stream at the signal level and make them suitable for any machine learning model. A data analyzer module consists of multiple deep autoencoder networks, each analyzing the time series data from a different perspective. Finally, an attack detection module uses an ensemble method to make the final decision. Evaluation results on a standard signal-based dataset show the effectiveness of the CANShield in detecting five advanced attacks.

Shahriar, Md Hasan↗

Uncertainty estimation of bifurcated solutions in the Rayleigh–Bénard problem for advanced nuclear reactors applications

Multiphysics models of nuclear reactors frequently comprise nonlinear systems of equations. The nonlinear nature of these models could lead to solution bifurcations, where a small change in a certain parameter, e.g., the thermophysical properties of the coolant, can lead to a sudden change in the system’s behavior. At the point in parameter space where this happens, called a critical point, the Jacobian matrix of the model’s nonlinear operator becomes singular potentially permitting multiple solutions to coexist. In this paper, we perform uncertainty estimation (UE) in a parameter range that includes bifurcated solutions within the context of Rayleigh–Bénard problem. We perform this analysis assuming uncertain temperature difference, and tilt angle for the iterative solution algorithm with a unit Prandtl number (Pr = 1). Also, we perform this analysis under uncertain thermophysical properties for both FLiBe molten salt and liquid sodium as working fluid. We deploy two approaches to compute statistical moments for the resulting distributions of selected flow-field variables. The first approach is the blind computation of the mean and the standard deviation without any consideration of solution bifurcation, while the second approach utilizes k-means clustering to cluster each branch’s solutions together and compute separate statistical moments for each branch. The statistical distributions are obtained by perturbing the selected parameters about nominal values that correspond to a solution on one of the valid branches, and that solution is used as initial guess for the iterative solution algorithm. We found that perturbation of any parameter when its nominal value is close to its critical point always leads to branch jumping, i.e., the iterations converge to a solution on a branch different from the branch of the initial guess. This produces a statistical ensemble comprised of fundamentally different solutions leading to wrong mean values and uncertainty estimates, whereas clustering provides an efficient way to deal with this type of computation. This work is important for developing Gen IV nuclear systems because many of these systems rely on natural convection for cooling especially in accident conditions.

97 - MATHEMATICS AND COMPUTING↗

Collisional-energy-cascade model for nonthermal velocity distributions of neutral atoms in plasmas

Nonthermal velocity distributions with much greater tails than a Maxwellian have been observed for radical atoms in plasmas for a long time. Historically, such velocity distributions have been modeled by a two-temperature Maxwell distribution. In this paper, I propose a model based on collisional energy cascade, which has been studied in the field of granular materials. In the collisional energy cascade, a particle ensemble undergoes energy input at the high-energy region, entropy production by elastic collisions among particles, and energy dissipation. For radical atoms, energy input may be caused by the Franck-Condon energy of molecular dissociation or charge-exchange collision with hot ions, and the input energy is eventually dissipated by collisions with the walls. Here, I show that the steady-state velocity distribution in the collisional energy cascade is approximated by the generalized Mittag-Leffler distribution, which is a one-parameter extension of the Maxwell distribution. This parameter indicates the degree of the nonthermality and is related to the relative importance of energy dissipation over entropy production. This model is compared with a direct molecular dynamics simulation for simplified gaseous systems with energy input, as well as some experimentally observed velocity distributions of light radicals in plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On the quantification and efficient propagation of imprecise probabilities with copula dependence

This paper addresses the problem of quantification and propagation of uncertainties associated with dependence modeling when data for characterizing probability models are limited. Practically, the system inputs are often assumed to be mutually independent or correlated by a multivariate Gaussian distribution. However, this subjective assumption may introduce bias in the response estimate if the real dependence structure deviates from this assumption. In this work, we overcome this limitation by introducing a flexible copula dependence model to capture complex dependencies. Here, a hierarchical Bayesian multimodel approach is proposed to quantify uncertainty in dependence model-form and model parameters that result from small data sets. This approach begins by identifying, through Bayesian multimodel inference, a set of candidate marginal models and their corresponding model probabilities, and then estimating the uncertainty in the copula-based dependence structure, which is conditional on the marginals and their parameters. The overall uncertainties integrating marginals and copulas are probabilistically represented by an ensemble of multivariate candidate densities. A novel importance sampling reweighting approach is proposed to efficiently propagate the overall uncertainties through a computational model. Through an example studying the influence of constituent properties on the out-of-plane properties of transversely isotropic E-glass fiber composites, we show that the composite property with copula-based dependence model converges to the true estimate as data set size increases, while an independence or arbitrary Gaussian correlation assumption leads to a biased estimate.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Evolution of the Internal Climate Modes under Future Warming

Abstract Climate modes play an important role in weather and climate variability over multiple spatial and temporal scales. This research assesses Earth system model (ESM) projections of the spatiotemporal characteristics of key internal climate modes (NAM, SAM, PNA, ENSO, PDO, and AMO) under high (SSP585) and low (SSP126) radiative forcing scenarios and contextualizes those projections using historical fidelity. Time series analyses are used to assess trends and mode phase characteristics are summarized for the historical period and for the end of the twenty-first century. Spatial patterns are compared to infer morphological changes. Shifts in the power spectra are used to examine changes in variability at subannual, interannual, and interdecadal scales. Changes in time-lagged correlations are used to capture the evolution of first-order interactions. While differences in historical skill are predominantly ESM dependent, changing mode characteristics in a warmer climate also exhibit variability between individual ensemble realizations. NAM, SAM, and ENSO tend to evolve toward increased prevalence of the positive phase up to 2100 across the multimodel ensemble while the PNA and PDO exhibit little trend but increasing phase intensity. AMO characteristics are shown to depend on the method used to remove the external signal. ESMs that show higher historical fidelity tend to show more modest changes in those modes under global nonstationarity. Changes in mode interactions are found to be highly ESM dependent but exhibit broadly similar behavior to historical relationships. These findings have implications for our understanding of internal variability and make clear that the choice of ESM, and even the ESM realization, matters for applications of climate projections. Significance Statement Internal modes of variability are important to understand due to their impact on local, regional, and global weather and climate patterns. Future climate changes will not only be affected by the variability arising from these modes, but the modes will themselves change in response to the changing climate. Spatial and temporal aspects of the modes are assessed from projections of future climate and related to how well they are captured in the historical climate. This yields some measure of confidence in the changes exhibited by the models. In most cases, when historically skillful models exhibit changes that are different from those produced by less skillful models, they tend to produce more modest changes. These results, as well as the variability between model outcomes, mean decisions on which ESM to use for projections of the future climate matter significantly.

Meteorology & Atmospheric Sciences↗

Statistical characterization of experimental magnetized liner inertial fusion stagnation images using deep-learning-based fuel–background segmentation

Significant variety is observed in spherical crystal x-ray imager (SCXI) data for the stagnated fuel–liner system created in Magnetized Liner Inertial Fusion (MagLIF) experiments conducted at the Sandia National Laboratories Z-facility. As a result, image analysis tasks involving, e.g., region-of-interest selection (i.e. segmentation), background subtraction and image registration have generally required tedious manual treatment leading to increased risk of irreproducibility, lack of uncertainty quantification and smaller-scale studies using only a fraction of available data. We present a convolutional neural network (CNN)-based pipeline to automate much of the image processing workflow. This tool enabled batch preprocessing of an ensemble of N scans = 139 SCXI images across N exp = 67 different experiments for subsequent study. The pipeline begins by segmenting images into the stagnated fuel and background using a CNN trained on synthetic images generated from a geometric model of a physical three-dimensional plasma. The resulting segmentation allows for a rules-based registration. Our approach flexibly handles rarely occurring artifacts through minimal user input and avoids the need for extensive hand labelling and augmentation of our experimental dataset that would be needed to train an end-to-end pipeline. Here we also fit background pixels using low-degree polynomials, and perform a statistical assessment of the background and noise properties over the entire image database. Our results provide a guide for choices made in statistical inference models using stagnation image data and can be applied in the generation of synthetic datasets with realistic choices of noise statistics and background models used for machine learning tasks in MagLIF data analysis. We anticipate that the method may be readily extended to automate other MagLIF stagnation imaging applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

EQC: Ensembled Quantum Computing for Variational Quantum Algorithms

Variational quantum algorithms (VQA), which are comprised of a classical optimizer and a parameterized quantum circuit, emerges as one of the most promising approaches of harvesting quantum power in the noisy-intermediate-scale-quantum (NISQ) era. However, the deployment of VQAs on today's NISQ devices often faces considerable system noise and prohibitively slow training speeds. On the other hand, the expensive supporting sources and infrastructure make quantum computers extremely keen on high utilization. In this paper, we propose a novel way of thinking about a quantum backend: rather than relying on one physical device which tends to introduce platform-specific noise and bias, a quantum ensemble, which distributes quantum tasks across parallel devices, can serve as a virtualized quantum computer for offering reduced noise levels through an adaptive mixture and also provide significantly improved training speeds through parallelization. With this idea, we build a distributive VQA optimization framework called DVQA, serving as the first effort in adopting parallel quantum devices for cooperative VQA training. To further constraint noise and speed-up convergence, we design a model for individual NISQ devices concerning their properties and running conditions, and propose a weighting mechanism for regularizing the returned gradients. Extensive evaluations on 10 IBM-Q quantum devices using the VQE example show that the distributive VQA training framework can substantially boost the training speed by 10.5x on average (up to 86x and at least 5.2x) with improved training accuracy.

Stein, Samuel A.↗

Drivers of stability and transience in composition-functioning links during serial propagation of litter-decomposing microbial communities

ABSTRACT Biotic factors that influence the temporal stability of microbial community functioning are an emerging research focus for the control of natural and engineered systems. The discovery of common features within community ensembles that differ in functional stability over time is a starting point to explore biotic factors. We serially propagated a suite of soil microbial communities through five generations of 28-day microcosm incubations to examine microbial community compositional and functional stability during plant litter decomposition. Using dissolved organic carbon (DOC) abundance as a target function, we hypothesized that microbial diversity, compositional stability, and associated changes in interactions would explain the relative stability of the ecosystem function between generations. Communities with initially high DOC abundance tended to converge towards a “low DOC” phenotype within two generations, but across all microcosms, functional stability between generations was highly variable. By splitting communities into two cohorts based on their relative DOC functional stability, we found that compositional shifts, diversity, and interaction network complexity were associated with the stability of DOC abundance between generations. Further, our results showed that legacy effects were important in determining compositional and functional outcomes, and we identified taxa associated with high DOC abundance. In the context of litter decomposition, achieving functionally stable communities is required to utilize soil microbiomes to increase DOC abundance and long-term terrestrial DOC sequestration as one solution to reduce atmospheric carbon dioxide concentrations. Identifying factors that stabilize function for a community of interest may improve the success of microbiome engineering applications. IMPORTANCE Microbial community functioning can be highly dynamic over time. Identifying and understanding biotic factors that control functional stability is of significant interest for natural and engineered communities alike. Using plant litter–decomposing communities as a model system, this study examined the stability of ecosystem function over time following repeated community transfers. By identifying microbial community features that are associated with stable ecosystem functions, microbial communities can be manipulated in ways that promote the consistency and reliability of the desired function, improving outcomes and increasing the utility of microorganisms.

59 BASIC BIOLOGICAL SCIENCES↗

Explaining and predicting human behavior and social dynamics in simulated virtual worlds: reproducibility, generalizability, and robustness of causal discovery methods

Ground Truth program was designed to evaluate social science modeling approaches using simulation test beds with ground truth intentionally and systematically embedded to understand and model complex Human Domain systems and their dynamics Lazer et al. (Science 369:1060–1062, 2020). Our multidisciplinary team of data scientists, statisticians, experts in Artificial Intelligence (AI) and visual analytics had a unique role on the program to investigate accuracy, reproducibility, generalizability, and robustness of the state-of-the-art (SOTA) causal structure learning approaches applied to fully observed and sampled simulated data across virtual worlds. In addition, we analyzed the feasibility of using machine learning models to predict future social behavior with and without causal knowledge explicitly embedded. In this paper, we first present our causal modeling approach to discover the causal structure of four virtual worlds produced by the simulation teams—Urban Life, Financial Governance, Disaster and Geopolitical Conflict. Our approach adapts the state-of-the-art causal discovery (including ensemble models), machine learning, data analytics, and visualization techniques to allow a human-machine team to reverse-engineer the true causal relations from sampled and fully observed data. We next present our reproducibility analysis of two research methods team’s performance using a range of causal discovery models applied to both sampled and fully observed data, and analyze their effectiveness and limitations. We further investigate the generalizability and robustness to sampling of the SOTA causal discovery approaches on additional simulated datasets with known ground truth. Our results reveal the limitations of existing causal modeling approaches when applied to large-scale, noisy, high-dimensional data with unobserved variables and unknown relationships between them. We show that the SOTA causal models explored in our experiments are not designed to take advantage from vasts amounts of data and have difficulty recovering ground truth when latent confounders are present; they do not generalize well across simulation scenarios and are not robust to sampling; they are vulnerable to data and modeling assumptions, and therefore, the results are hard to reproduce. Finally, when we outline lessons learned and provide recommendations to improve models for causal discovery and prediction of human social behavior from observational data, we highlight the importance of learning data to knowledge representations or transformations to improve causal discovery and describe the benefit of causal feature selection for predictive and prescriptive modeling.

97 MATHEMATICS AND COMPUTING↗

Ab Initio Molecular Dynamics Simulations of Amorphous Calcium Carbonate: Interpretation of Pair Distribution Function and X-Ray Absorption Spectroscopy Data

The structure and transformation of hydrous amorphous calcium carbonate (ACC) are key to understanding biomineralization pathways and their relationship with the properties of the resulting material. Quantitative interpretation of scattering experiments aimed at elucidating the structure of ACC is challenging, due to the amorphous nature of this material, and, therefore, requires models for the structure and the scattering physics. Here, we generate physically realistic ensembles of hydrated ACC structures and their vibrational disorder from ab initio molecular dynamics (AIMD) simulations with an emphasis on enabling the consistent interpretation of the finer details of three complementary structural probes: neutron and x-ray pair distribution experiments and x-ray absorption spectroscopy (XAS). In each case, we simulate the signal directly in reciprocal space and then manipulate it into the real-space pair distribution function (PDF) or spectrum using the same procedures for the experimental and theoretical data. Good agreement with experiment was obtained across the three techniques with the simulations accounting well for all features in the spectra. Remaining small discrepancies pointed to differences between real samples and the idealized simulated systems such as deviations from the nominal CaCO3·nH2O stoichiometry. Additionally, the simulations offered a more accurate description of the local coordination environment of calcium than previous shell-by-shell fits to spectra of synthetic ACC and classical molecular dynamics simulations. This work demonstrates that AIMD is a powerful approach for extracting detailed structural information from neutron PDF, x-ray PDF, and XAS of amorphous carbonate phases.

Prange, Micah P.↗

Flower‐Type Organized Trade‐Wind Cumulus: A Multi‐Day Lagrangian Large Eddy Simulation Intercomparison Study

Shallow cumulus cloud fields in subtropical marine trade wind environments, particularly over the tropical Atlantic Ocean, show distinct organizational patterns. Among these, Flower‐type clouds are characterized by expansive stratiform cloud patches surrounded by regions of scattered convection. The objectives of this study were (a) to construct a case study of a time period during the EUREC 4 A/ATOMIC field campaign when Flower‐type organization was observed, (b) to evaluate the fidelity of a multi‐model ensemble of large eddy simulations of that case, and (c) to analyze the interaction between cloud and precipitation processes and mesoscale organization in the simulations. The simulations follow a quasi‐Lagrangian trajectory, allowing mesoscale features to develop over time in a domain that follows the boundary‐layer airmass. The results show a broad agreement in simulated thermodynamic properties across different LES codes, with Flower‐type cloud patches appearing within hours of each other. The consensus among models is consistent with observations made during the EUREC 4 A/ATOMIC field campaign on the specific day of interest. The cloud structure reveals three distinct peaks in the joint probability densities of cloud base and cloud top height, with the dominant peak at any given time influenced by the stage of cloud organization. The simulated cloud system evolution reveals consistent occurrence of maxima in liquid water path and rain rate before Flower reaches its maximum length scale. Targeted sensitivity tests reveal a weak relationship between Cloud Droplet Number concentration and the extent/degree/type of organization.

EUREC4A↗

Turbulent-like flows in quasi two-dimensional dense suspensions of motile colloids

Dense bacterial suspensions exhibit turbulent-like flows at low Reynolds numbers, driven by the activity of the microswimmers. In this study, we develop a model system to examine these dynamics using motile colloids that mimic bacterial locomotion. The colloids are powered by the Quincke instability, which causes them to spontaneously roll in a random-walk pattern when exposed to a square-wave electric field. We experimentally investigate the flow dynamics in dense suspensions of these Quincke random walkers under quasi two-dimensional conditions, where the particle size is comparable to the gap between the electrodes. The results suggest a scaling regime in the energy spectrum ∼k −4 at high wavenumbers, observed consistently across activity levels and particle concentrations. We observe that velocity time correlations decay within a single period of the square-wave field, yet an anti-correlation appears between successive field applications, indicative of a dynamic structural memory of the ensemble.

Luo, Rui [Northwestern Univ., Evanston, IL (United↗

CMIP6 skill at predicting interannual to multi-decadal summer monsoon precipitation variability

Monsoons affect the economy, agriculture, and human health of two thirds of the world’s population. Therefore, predicting variations in monsoon precipitation is societally important. We explore the ability of climate models from the sixth phase of the Climate Model Intercomparison Project to predict summer monsoon precipitation variability by using hindcasts from the Decadal Climate Prediction Project (Component A). The multi-model ensemble-mean shows significant skill at predicting summer monsoon precipitation from one year to 6–9 years ahead. However, this skill is dependent on the model, monsoon domain, and lead-time. In general, the skill of the multi-model ensemble-mean prediction is low in year 1 but increases for longer-lead times and is largely consistent with externally forced changes. The best captured region is northern Africa for the 2–5 and 6–9 year forecast lead times. In contrast, there is no significant skill using the ensemble-mean over East and South Asia and, furthermore, there is significant spread in skill among models for these domains. By sub-sampling the ensemble we show that the difference in skill between models is tied to the simulation of the externally forced response over East and South Asia, with models with a more skilful forced response capable of better predictions. A further contribution is from skilful prediction of Pacific Ocean temperatures for the South Asian summer monsoon at longer lead-times. Therefore, these results indicate that predictions of the East and South Asian monsoons could be significantly improved.

54 ENVIRONMENTAL SCIENCES↗