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Summary: Biological models contain many parameters whose values are difficult to measure directly via experimentation and therefore require calibration against experimental data. Markov chain Monte Carlo (MCMC) methods are suitable to estimate multivariate posterior model parameter distributions, but these methods may exhibit slow or premature convergence in high-dimensional search spaces. Here, we present PyDREAM, a Python implementation of the (Multiple-Try) Differential Evolution Adaptive Metropolis [DREAM(ZS)] algorithm developed by Vrugt and ter Braak (2008) and Laloy and Vrugt (2012). PyDREAM achieves excellent performance for complex, parameter-rich models and takes full advantage of distributed computing resources, facilitating parameter inference and uncertainty estimation of CPU-intensive biological models. Availability and implementation: PyDREAM is freely available under the GNU GPLv3 license from the Lopez lab GitHub repository at http://github.com/LoLab-VU/PyDREAM. Contact: c.lopez@vanderbilt.edu. Supplementary information: Supplementary data are available at Bioinformatics online.
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Biología Computacional/métodos , Cadenas de Markov , Modelos Biológicos , Método de Montecarlo , Programas Informáticos , Algoritmos , Calibración , IncertidumbreRESUMEN
The daunting complexity of ecosystems has led ecologists to use mathematical modelling to gain understanding of ecological relationships, processes and dynamics. In pursuit of mathematical tractability, these models use simplified descriptions of key patterns, processes and relationships observed in nature. In contrast, ecological data are often complex, scale-dependent, space-time correlated, and governed by nonlinear relations between organisms and their environment. This disparity in complexity between ecosystem models and data has created a large gap in ecology between model and data-driven approaches. Here, we explore data assimilation (DA) with the Ensemble Kalman filter to fuse a two-predator-two-prey model with abundance data from a 2600+ day experiment of a plankton community. We analyse how frequently we must assimilate measured abundances to predict accurately population dynamics, and benchmark our population model's forecast horizon against a simple null model. Results demonstrate that DA enhances the predictability and forecast horizon of complex community dynamics.
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Ecología , Cadena Alimentaria , Modelos Biológicos , Ecosistema , Plancton , Dinámica PoblacionalRESUMEN
The Cyanobacteria Prochlorococcus and Synechococcus account for a substantial fraction of marine primary production. Here, we present quantitative niche models for these lineages that assess present and future global abundances and distributions. These niche models are the result of neural network, nonparametric, and parametric analyses, and they rely on >35,000 discrete observations from all major ocean regions. The models assess cell abundance based on temperature and photosynthetically active radiation, but the individual responses to these environmental variables differ for each lineage. The models estimate global biogeographic patterns and seasonal variability of cell abundance, with maxima in the warm oligotrophic gyres of the Indian and the western Pacific Oceans and minima at higher latitudes. The annual mean global abundances of Prochlorococcus and Synechococcus are 2.9 ± 0.1 × 10(27) and 7.0 ± 0.3 × 10(26) cells, respectively. Using projections of sea surface temperature as a result of increased concentration of greenhouse gases at the end of the 21st century, our niche models projected increases in cell numbers of 29% and 14% for Prochlorococcus and Synechococcus, respectively. The changes are geographically uneven but include an increase in area. Thus, our global niche models suggest that oceanic microbial communities will experience complex changes as a result of projected future climate conditions. Because of the high abundances and contributions to primary production of Prochlorococcus and Synechococcus, these changes may have large impacts on ocean ecosystems and biogeochemical cycles.
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Ecosistema , Prochlorococcus/crecimiento & desarrollo , Agua de Mar/microbiología , Synechococcus/crecimiento & desarrollo , Algoritmos , Océano Atlántico , Predicción , Geografía , Océano Índico , Biología Marina/tendencias , Modelos Biológicos , Océano Pacífico , Densidad de Población , Dinámica Poblacional , Prochlorococcus/citología , Análisis de Regresión , Estaciones del Año , Synechococcus/citología , TemperaturaRESUMEN
Photosynthetic capacity, determined by light harvesting and carboxylation reactions, is a key plant trait that determines the rate of photosynthesis; however, in Earth System Models (ESMs) at a reference temperature, it is either a fixed value for a given plant functional type or derived from a linear function of leaf nitrogen content. In this study, we conducted a comprehensive analysis that considered correlations of environmental factors with photosynthetic capacity as determined by maximum carboxylation (V(cm)) rate scaled to 25 degrees C (i.e., V(c),25; µmol CO2 x m(-2)x s(-1)) and maximum electron transport rate (J(max)) scaled to 25 degrees C (i.e., J25; µmol electron x m(-2) x s(-1)) at the global scale. Our results showed that the percentage of variation in observed V(c),25 and J25 explained jointly by the environmental factors (i.e., day length, radiation, temperature, and humidity) were 2-2.5 times and 6-9 times of that explained by area-based leaf nitrogen content, respectively. Environmental factors influenced photosynthetic capacity mainly through photosynthetic nitrogen use efficiency, rather than through leaf nitrogen content. The combination of leaf nitrogen content and environmental factors was able to explain -56% and -66% of the variation in V(c),25 and J25 at the global scale, respectively. Our analyses suggest that model projections of plant photosynthetic capacity and hence land-atmosphere exchange under changing climatic conditions could be substantially improved if environmental factors are incorporated into algorithms used to parameterize photosynthetic capacity in ESMs.
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Conservación de los Recursos Naturales/métodos , Monitoreo del Ambiente/métodos , Fotosíntesis/fisiología , Plantas/metabolismo , Modelos Biológicos , Nitrógeno , Hojas de la Planta/química , Hojas de la Planta/metabolismo , IncertidumbreRESUMEN
Catchment urbanization perturbs the water and sediment budgets of streams, degrades stream health and function, and causes a constellation of flow, water quality, and ecological symptoms collectively known as the urban stream syndrome. Low-impact development (LID) technologies address the hydrologic symptoms of the urban stream syndrome by mimicking natural flow paths and restoring a natural water balance. Over annual time scales, the volumes of stormwater that should be infiltrated and harvested can be estimated from a catchment-scale water-balance given local climate conditions and preurban land cover. For all but the wettest regions of the world, a much larger volume of stormwater runoff should be harvested than infiltrated to maintain stream hydrology in a preurban state. Efforts to prevent or reverse hydrologic symptoms associated with the urban stream syndrome will therefore require: (1) selecting the right mix of LID technologies that provide regionally tailored ratios of stormwater harvesting and infiltration; (2) integrating these LID technologies into next-generation drainage systems; (3) maximizing potential cobenefits including water supply augmentation, flood protection, improved water quality, and urban amenities; and (4) long-term hydrologic monitoring to evaluate the efficacy of LID interventions.
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Ciudades , Hidrología , Lluvia , Ríos , Filtración/instrumentación , Modelos Teóricos , Agua , Movimientos del AguaRESUMEN
In the past decades, many different approaches have been developed in the literature to quantify the load-carrying capacity and geotechnical stability (or the Factor of Safety, F s) of variably saturated hillslopes. Much of this work has focused on a deterministic characterization of hillslope stability. Yet, simulated F s values are subject to considerable uncertainty due to our inability to characterize accurately the soil mantle's properties (hydraulic, geotechnical and geomorphologic) and spatiotemporal variability of the moisture content of the hillslope interior. This is particularly true at larger spatial scales. Thus, uncertainty-incorporating analyses of physically based models of rain-induced landslides are rare in the literature. Such landslide modeling is typically conducted at the hillslope scale using gauge-based rainfall forcing data with rather poor spatiotemporal coverage. For regional landslide modeling, the specific advantages and/or disadvantages of gauge-only, radar-merged and satellite-based rainfall products are not clearly established. Here, we compare and evaluate the performance of the Transient Rainfall Infiltration and Grid-based Regional Slope-stability analysis (TRIGRS) model for three different rainfall products using 112 observed landslides in the period between 2004 and 2011 from the North Carolina Geological Survey database. Our study includes the Tropical Rainfall Measuring Mission (TRMM) Multi-satellite Precipitation Analysis Version 7 (TMPA V7), the North American Land Data Assimilation System Phase 2 (NLDAS-2) analysis, and the reference 'truth' Stage IV precipitation. TRIGRS model performance was rather inferior with the use of literature values of the geotechnical parameters and soil hydraulic properties from ROSETTA using soil textural and bulk density data from SSURGO (Soil Survey Geographic database). The performance of TRIGRS improved considerably after Bayesian estimation of the parameters with the DiffeRential Evolution Adaptive Metropolis (DREAM) algorithm using Stage IV precipitation data. Hereto, we use a likelihood function that combines binary slope failure information from landslide event and 'null' periods using multivariate frequency distribution-based metrics such as the False Discovery and False Omission Rates. Our results demonstrate that the Stage IV-inferred TRIGRS parameter distributions generalize well to TMPA and NLDAS-2 precipitation data, particularly at sites with considerably larger TMPA and NLDAS-2 rainfall amounts during landslide events than null periods. TRIGRS model performance is then rather similar for all three rainfall products. At higher elevations, however, the TMPA and NLDAS-2 precipitation volumes are insufficient and their performance with the Stage IV-derived parameter distributions indicate their inability to accurately characterize hillslope stability.
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One of the best approaches to date to obtain overall binding constants (Ko) for Al and dissolved organic matter (DOM) from acidic soil solutions is to collect 'free' Al data with diffusive gradients in thin films (DGT) and to infer the Ko values by fitting a continuous distribution model based on Scatchard plots. Although there is clear established literature demonstrating the usefulness of the Scatchard approach, relatively little attention has been given to a realistic assessment of the uncertainties associated with the final fitted Ko values. In this study we present an uncertainty analysis of the fitted Ko values using a synthetic dataset with different levels of random noise and a real data set using DGT data from an acidic soil solution. The parameters in the continuous distribution model and their corresponding upper and lower 95% uncertainty bounds were determined using the Shuffled Complex Evolution Metropolis (SCEM) algorithm. Although reasonable fits of the distribution model to the experimental data were obtained in all cases, an appreciable uncertainty in the resulting Ko values was found due to three main reasons. Firstly, obtaining 'free' Al data even with the DGT method is relatively difficult, leading to uncertainty in the data. Secondly, before Scatchard plots can be constructed, the maximum binding capacity (MBC) must be estimated. Any uncertainty in this MBC propagates into uncertainty associated with the final plots. Thirdly, as the final fitted Ko values are largely based on extrapolation, a small uncertainty in the fit of the binding data results in an appreciable uncertainty in the obtained Ko. Therefore, while trends in Ko for Al and DOM could easily be discerned and compared, the uncertainty in the Ko values hinders the application in quantitative speciation calculation. More comprehensive speciation models that avoid the use of Ko seem to fit better for this purpose.
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Aluminio/química , Modelos Teóricos , Contaminantes del Agua/análisis , Compuestos Orgánicos , Reproducibilidad de los Resultados , SolubilidadRESUMEN
The interaction of Cu with dissolved organic matter (DOM, extracted from an organic forest floor) was investigated and the resulting data was evaluated in terms of their uncertainty. The speciation of Cu over 'free' Cu (as analysed by diffusive gradients in thin films (DGT)), dissolved Cu-DOM complexes and precipitated Cu-DOM was determined as a function of pH (3.5, 4.0 and 4.5) and Cu/C ratio. The dissolved organically bound fraction was highest at pH 4.5, but this fraction decreased with increasing Cu/C ratio, which was observed for all pH levels. In the range of Cu/C = 7 x 10(-5) -2.3 x 10(-2) (mol/mol) the precipitated fraction was very small. The speciation of both Al and Fe was not affected by increasing Cu concentrations. From a continuous distribution model using the Scatchard approach, we calculated the optimal fit and corresponding upper and lower 95% uncertainty bounds of the overall stability constants (K(o)) with the shuffled complex evolution Metropolis (SCEM) algorithm. Although the optimal equation fitted the data very well, the uncertainty of the, according to literature, most reliable approach to establish stability constants, was still large. Accordingly, the usually reported intrinsic stability constants exhibited large uncertainty ranging from log K(i) = 6.0-7.1 (optimal 6.7) for pH 3.5, log K(i) = 6.5-7.1 (optimal 6.8) for pH 4.0, and log K(i) = 6.4-7.2 (optimal 6.8) for pH 4.5 and showed only little effect of pH.
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Cobre/química , Modelos Teóricos , Contaminantes del Suelo/análisis , Precipitación Química , Concentración de Iones de Hidrógeno , Compuestos Orgánicos , Solubilidad , ÁrbolesRESUMEN
Knowledge of concentrations and elemental ratios of suspended particles are important for understanding many biogeochemical processes in the ocean. These include patterns of phytoplankton nutrient limitation as well as linkages between the cycles of carbon and nitrogen or phosphorus. To further enable studies of ocean biogeochemistry, we here present a global dataset consisting of 100,605 total measurements of particulate organic carbon, nitrogen, or phosphorus analyzed as part of 70 cruises or time-series. The data are globally distributed and represent all major ocean regions as well as different depths in the water column. The global median C:P, N:P, and C:N ratios are 163, 22, and 6.6, respectively, but the data also includes extensive variation between samples from different regions. Thus, this compilation will hopefully assist in a wide range of future studies of ocean elemental ratios.
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Carbono , Nitrógeno , Océanos y Mares , Fósforo , Ciclo del Carbono , Ciclo del Nitrógeno , Fitoplancton , Pesos y MedidasRESUMEN
In the last few decades, evolutionary algorithms have emerged as a revolutionary approach for solving search and optimization problems involving multiple conflicting objectives. Beyond their ability to search intractably large spaces for multiple solutions, these algorithms are able to maintain a diverse population of solutions and exploit similarities of solutions by recombination. However, existing theory and numerical experiments have demonstrated that it is impossible to develop a single algorithm for population evolution that is always efficient for a diverse set of optimization problems. Here we show that significant improvements in the efficiency of evolutionary search can be achieved by running multiple optimization algorithms simultaneously using new concepts of global information sharing and genetically adaptive offspring creation. We call this approach a multialgorithm, genetically adaptive multiobjective, or AMALGAM, method, to evoke the image of a procedure that merges the strengths of different optimization algorithms. Benchmark results using a set of well known multiobjective test problems show that AMALGAM approaches a factor of 10 improvement over current optimization algorithms for the more complex, higher dimensional problems. The AMALGAM method provides new opportunities for solving previously intractable optimization problems.
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Algoritmos , Evolución Biológica , Simulación por ComputadorRESUMEN
The sustainability of irrigated agriculture in many arid and semiarid areas of the world is at risk because of a combination of several interrelated factors, including lack of fresh water, lack of drainage, the presence of high water tables, and salinization of soil and groundwater resources. Nowhere in the United States are these issues more apparent than in the San Joaquin Valley of California. A solid understanding of salinization processes at regional spatial and decadal time scales is required to evaluate the sustainability of irrigated agriculture. A hydro-salinity model was developed to integrate subsurface hydrology with reactive salt transport for a 1,400-km(2) study area in the San Joaquin Valley. The model was used to reconstruct historical changes in salt storage by irrigated agriculture over the past 60 years. We show that patterns in soil and groundwater salinity were caused by spatial variations in soil hydrology, the change from local groundwater to snowmelt water as the main irrigation water supply, and by occasional droughts. Gypsum dissolution was a critical component of the regional salt balance. Although results show that the total salt input and output were about equal for the past 20 years, the model also predicts salinization of the deeper aquifers, thereby questioning the sustainability of irrigated agriculture.