Simulating the Mammalian Blastocyst - Molecular and Mechanical Interactions Pattern the Embryo

Mammalian embryogenesis is a dynamic process involving gene expression and mechanical forces between proliferating cells. The exact nature of these interactions, which determine the lineage patterning of the trophectoderm and endoderm tissues occurring in a highly regulated manner at precise periods during the embryonic development, is an area of debate. We have developed a computational modeling framework for studying this process, by which the combined effects of mechanical and genetic interactions are analyzed within the context of proliferating cells. At a purely mechanical level, we demonstrate that the perpendicular alignment of the animal-vegetal (a-v) and embryonic-abembryonic (eb-ab) axes is a result of minimizing the total elastic conformational energy of the entire collection of cells, which are constrained by the zona pellucida. The coupling of gene expression with the mechanics of cell movement is important for formation of both the trophectoderm and the endoderm. In studying the formation of the trophectoderm, we contrast and compare quantitatively two hypotheses: (1) The position determines gene expression, and (2) the gene expression determines the position. Our model, which couples gene expression with mechanics, suggests that differential adhesion between different cell types is a critical determinant in the robust endoderm formation. In addition to differential adhesion, two different testable hypotheses emerge when considering endoderm formation: (1) A directional force acts on certain cells and moves them into forming the endoderm layer, which separates the blastocoel and the cells of the inner cell mass (ICM). In this case the blastocoel simply acts as a static boundary. (2) The blastocoel dynamically applies pressure upon the cells in contact with it, such that cell segregation in the presence of differential adhesion leads to the endoderm formation. To our knowledge, this is the first attempt to combine cell-based spatial mechanical simulations with genetic networks to explain mammalian embryogenesis. Such a framework provides the means to test hypotheses in a controlled in silico environment

Tools for Assessing Climate Impacts on Fish and Wildlife

Climate change is already affecting many fish and wildlife populations. Managing these populations requires an understanding of the nature, magnitude, and distribution of current and future climate impacts. Scientists and managers have at their disposal a wide array of models for projecting climate impacts that can be used to build such an understanding. Here, we provide a broad overview of the types of models available for forecasting the effects of climate change on key processes that affect fish and wildlife habitat (hydrology, fire, and vegetation), as well as on individual species distributions and populations. We present a framework for how climate-impacts modeling can be used to address management concerns, providing examples of model-based assessments of climate impacts on salmon populations in the Pacific Northwest, fire regimes in the boreal region of Canada, prairies and savannas in the Willamette Valley-Puget Sound Trough-Georgia Basin ecoregion, and marten Martes americana populations in the northeastern United States and southeastern Canada. We also highlight some key limitations of these models and discuss how such limitations should be managed. We conclude with a general discussion of how these models can be integrated into fish and wildlife management

Jump-Diffusion Approximation of Stochastic Reaction Dynamics: Error bounds and Algorithms

Biochemical reactions can happen on different time scales and also the abundance of species in these reactions can be very different from each other. Classical approaches, such as deterministic or stochastic approach, fail to account for or to exploit this multi-scale nature, respectively. In this paper, we propose a jump-diffusion approximation for multi-scale Markov jump processes that couples the two modeling approaches. An error bound of the proposed approximation is derived and used to partition the reactions into fast and slow sets, where the fast set is simulated by a stochastic differential equation and the slow set is modeled by a discrete chain. The error bound leads to a very efficient dynamic partitioning algorithm which has been implemented for several multi-scale reaction systems. The gain in computational efficiency is illustrated by a realistically sized model of a signal transduction cascade coupled to a gene expression dynamics.Comment: 32 pages, 7 figure

Development of an efficient finite element model for the dynamic analysis of the train-bridge interaction

The design of high-speed railway bridges comprises a set of demands, from safety and serviceability aspects, to new types of equipment and construction solutions. In order to perform an accurate and realistic evaluation of the corresponding dynamic behavior, adequate analysis tools that take into account the complexity of the train-bridge system are required. These computational tools must be based on efficient algorithms to allow for the completion of detailed dynamic analyses in a reasonable amount of time. The classical methods of analysis may be unsatisfactory in the evaluation of the dynamic effects of the train-bridge system and fully assessment of the structural safety, track safety and passenger comfort. A direct and versatile technique for the simulation of the train-bridge interaction was implemented in the FEMIX code, which is a general purpose finite element computer program. The presented case study is an application of the proposed formulation, which proved to be very accurate and efficient

Simulating 2+1d Lattice QED with dynamical matter using ultracold atoms

We suggest a method to simulate lattice compact Quantum Electrodynamics (cQED) using ultracold atoms in optical lattices, which includes dynamical Dirac fermions in 2+1 dimensions. This allows to test dynamical effects of confinement as well as 2d flux loops deformations and breaking, and to observe Wilson-loop area-law.Comment: Includes supplementary material. Added references, minor modification

TaskPoint: sampled simulation of task-based programs

Sampled simulation is a mature technique for reducing simulation time of single-threaded programs, but it is not directly applicable to simulation of multi-threaded architectures. Recent multi-threaded sampling techniques assume that the workload assigned to each thread does not change across multiple executions of a program. This assumption does not hold for dynamically scheduled task-based programming models. Task-based programming models allow the programmer to specify program segments as tasks which are instantiated many times and scheduled dynamically to available threads. Due to system noise and variation in scheduling decisions, two consecutive executions on the same machine typically result in different instruction streams processed by each thread. In this paper, we propose TaskPoint, a sampled simulation technique for dynamically scheduled task-based programs. We leverage task instances as sampling units and simulate only a fraction of all task instances in detail. Between detailed simulation intervals we employ a novel fast-forward mechanism for dynamically scheduled programs. We evaluate the proposed technique on a set of 19 task-based parallel benchmarks and two different architectures. Compared to detailed simulation, TaskPoint accelerates architectural simulation with 64 simulated threads by an average factor of 19.1 at an average error of 1.8% and a maximum error of 15.0%.This work has been supported by the Spanish Government (Severo Ochoa grants SEV2015-0493, SEV-2011-00067), the Spanish Ministry of Science and Innovation (contract TIN2015-65316-P), Generalitat de Catalunya (contracts 2014-SGR-1051 and 2014-SGR-1272), the RoMoL ERC Advanced Grant (GA 321253), the European HiPEAC Network of Excellence and the Mont-Blanc project (EU-FP7-610402 and EU-H2020-671697). M. Moreto has been partially supported by the Ministry of Economy and Competitiveness under Juan de la Cierva postdoctoral fellowship JCI-2012-15047. M. Casas is supported by the Ministry of Economy and Knowledge of the Government of Catalonia and the Cofund programme of the Marie Curie Actions of the EUFP7 (contract 2013BP B 00243). T.Grass has been partially supported by the AGAUR of the Generalitat de Catalunya (grant 2013FI B 0058).Peer ReviewedPostprint (author's final draft