scholarly journals MinActionPath: maximum likelihood trajectory for large-scale structural transitions in a coarse-grained locally harmonic energy landscape

2007 ◽  
Vol 35 (suppl_2) ◽  
pp. W477-W482 ◽  
Author(s):  
Joel Franklin ◽  
Patrice Koehl ◽  
Sebastian Doniach ◽  
Marc Delarue
Keyword(s):  
Maximum Likelihood ◽  
Large Scale ◽  
Energy Landscape ◽  
Coarse Grained ◽  
Structural Transitions

scholarly journals Mean-Field Models for EEG/MEG: From Oscillations to Waves

2021 ◽  
Author(s):  
Áine Byrne ◽  
James Ross ◽  
Rachel Nicks ◽  
Stephen Coombes
Keyword(s):  
Gap Junction ◽  
Large Scale ◽  
Mean Field ◽  
Coarse Grained ◽  
Neural Mass Model ◽  
Neuron Network ◽  
Mass Model ◽  
Mean Field Model ◽  
Neural Mass ◽  
The Rich

AbstractNeural mass models have been used since the 1970s to model the coarse-grained activity of large populations of neurons. They have proven especially fruitful for understanding brain rhythms. However, although motivated by neurobiological considerations they are phenomenological in nature, and cannot hope to recreate some of the rich repertoire of responses seen in real neuronal tissue. Here we consider a simple spiking neuron network model that has recently been shown to admit an exact mean-field description for both synaptic and gap-junction interactions. The mean-field model takes a similar form to a standard neural mass model, with an additional dynamical equation to describe the evolution of within-population synchrony. As well as reviewing the origins of this next generation mass model we discuss its extension to describe an idealised spatially extended planar cortex. To emphasise the usefulness of this model for EEG/MEG modelling we show how it can be used to uncover the role of local gap-junction coupling in shaping large scale synaptic waves.

scholarly journals Simba

2021 ◽  
Vol 64 (6) ◽  
pp. 107-116
Author(s):  
Yakun Sophia Shao ◽  
Jason Cemons ◽  
Rangharajan Venkatesan ◽  
Brian Zimmer ◽  
Matthew Fojtik ◽  
...  
Keyword(s):  
Deep Learning ◽  
Large Scale ◽  
Data Locality ◽  
Coarse Grained ◽  
Batch Size ◽  
Peak Performance ◽  
Large Scale Systems ◽  
High Area ◽  
On Chip ◽  
And Storage

Package-level integration using multi-chip-modules (MCMs) is a promising approach for building large-scale systems. Compared to a large monolithic die, an MCM combines many smaller chiplets into a larger system, substantially reducing fabrication and design costs. Current MCMs typically only contain a handful of coarse-grained large chiplets due to the high area, performance, and energy overheads associated with inter-chiplet communication. This work investigates and quantifies the costs and benefits of using MCMs with finegrained chiplets for deep learning inference, an application domain with large compute and on-chip storage requirements. To evaluate the approach, we architected, implemented, fabricated, and tested Simba, a 36-chiplet prototype MCM system for deep-learning inference. Each chiplet achieves 4 TOPS peak performance, and the 36-chiplet MCM package achieves up to 128 TOPS and up to 6.1 TOPS/W. The MCM is configurable to support a flexible mapping of DNN layers to the distributed compute and storage units. To mitigate inter-chiplet communication overheads, we introduce three tiling optimizations that improve data locality. These optimizations achieve up to 16% speedup compared to the baseline layer mapping. Our evaluation shows that Simba can process 1988 images/s running ResNet-50 with a batch size of one, delivering an inference latency of 0.50 ms.

scholarly journals Mobility patterns are associated with experienced income segregation in large US cities

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Esteban Moro ◽  
Dan Calacci ◽  
Xiaowen Dong ◽  
Alex Pentland
Keyword(s):  
Large Scale ◽  
Mobility Model ◽  
Coarse Grained ◽  
Spatial Proximity ◽  
Mobility Patterns ◽  
Data Set ◽  
Residential Patterns ◽  
Income Segregation ◽  
Mobility Data ◽  
Mobility Behavior

AbstractTraditional understanding of urban income segregation is largely based on static coarse-grained residential patterns. However, these do not capture the income segregation experience implied by the rich social interactions that happen in places that may relate to individual choices, opportunities, and mobility behavior. Using a large-scale high-resolution mobility data set of 4.5 million mobile phone users and 1.1 million places in 11 large American cities, we show that income segregation experienced in places and by individuals can differ greatly even within close spatial proximity. To further understand these fine-grained income segregation patterns, we introduce a Schelling extension of a well-known mobility model, and show that experienced income segregation is associated with an individual’s tendency to explore new places (place exploration) as well as places with visitors from different income groups (social exploration). Interestingly, while the latter is more strongly associated with demographic characteristics, the former is more strongly associated with mobility behavioral variables. Our results suggest that mobility behavior plays an important role in experienced income segregation of individuals. To measure this form of income segregation, urban researchers should take into account mobility behavior and not only residential patterns.

scholarly journals Metastable Intermediates as Stepping Stones on the Maturation Pathways of Viral Capsids

mBio ◽  
2014 ◽  
Vol 5 (6) ◽  
Author(s):  
Giovanni Cardone ◽  
Robert L. Duda ◽  
Naiqian Cheng ◽  
Lili You ◽  
James F. Conway ◽  
...  
Keyword(s):  
Conformational Changes ◽  
Large Scale ◽  
Structural Changes ◽  
Energy Landscape ◽  
Potential Hazard ◽  
Stepping Stones ◽  
Scanning Calorimetry ◽  
Conformational Effects ◽  
Capsid Maturation ◽  
Capsid Integrity

ABSTRACT As they mature, many capsids undergo massive conformational changes that transform their stability, reactivity, and capacity for DNA. In some cases, maturation proceeds via one or more intermediate states. These structures represent local minima in a rich energy landscape that combines contributions from subunit folding, association of subunits into capsomers, and intercapsomer interactions. We have used scanning calorimetry and cryo-electron microscopy to explore the range of capsid conformations accessible to bacteriophage HK97. To separate conformational effects from those associated with covalent cross-linking (a stabilization mechanism of HK97), a cross-link-incompetent mutant was used. The mature capsid Head I undergoes an endothermic phase transition at 60°C in which it shrinks by 7%, primarily through changes in its hexamer conformation. The transition is reversible, with a half-life of ~3 min; however, >50% of reverted capsids are severely distorted or ruptured. This observation implies that such damage is a potential hazard of large-scale structural changes such as those involved in maturation. Assuming that the risk is lower for smaller changes, this suggests a rationalization for the existence of metastable intermediates: that they serve as stepping stones that preserve capsid integrity as it switches between the radically different conformations of its precursor and mature states. IMPORTANCE Large-scale conformational changes are widespread in virus maturation and infection processes. These changes are accompanied by the release of conformational free energy as the virion (or fusogenic glycoprotein) switches from a precursor state to its mature state. Each state corresponds to a local minimum in an energy landscape. The conformational changes in capsid maturation are so radical that the question arises of how maturing capsids avoid being torn apart. Offering proof of principle, severe damage is inflicted when a bacteriophage HK97 capsid reverts from the (nonphysiological) state that it enters when heated past 60°C. We suggest that capsid proteins have been selected in part by the criterion of being able to avoid sustaining collateral damage as they mature. One way of achieving this—as with the HK97 capsid—involves breaking the overall transition down into several smaller steps in which the risk of damage is reduced.

scholarly journals Heterogeneous lamella structure unites ultrafine-grain strength with coarse-grain ductility

2015 ◽  
Vol 112 (47) ◽  
pp. 14501-14505 ◽  
Author(s):  
Xiaolei Wu ◽  
Muxin Yang ◽  
Fuping Yuan ◽  
Guilin Wu ◽  
Yujie Wei ◽  
...  
Keyword(s):  
Large Scale ◽  
Low Cost ◽  
High Strength ◽  
Back Stress ◽  
Coarse Grained ◽  
Ultrafine Grain ◽  
Asymmetric Rolling ◽  
Dislocation Hardening ◽  
Ultrafine Grained ◽  
Lamella Structure

Grain refinement can make conventional metals several times stronger, but this comes at dramatic loss of ductility. Here we report a heterogeneous lamella structure in Ti produced by asymmetric rolling and partial recrystallization that can produce an unprecedented property combination: as strong as ultrafine-grained metal and at the same time as ductile as conventional coarse-grained metal. It also has higher strain hardening than coarse-grained Ti, which was hitherto believed impossible. The heterogeneous lamella structure is characterized with soft micrograined lamellae embedded in hard ultrafine-grained lamella matrix. The unusual high strength is obtained with the assistance of high back stress developed from heterogeneous yielding, whereas the high ductility is attributed to back-stress hardening and dislocation hardening. The process discovered here is amenable to large-scale industrial production at low cost, and might be applicable to other metal systems.

Mechanical Patterning in Animal Morphogenesis

2021 ◽  
Vol 37 (1) ◽  
Author(s):  
Yonit Maroudas-Sacks ◽  
Kinneret Keren
Keyword(s):  
Pattern Formation ◽  
Large Scale ◽  
Coarse Grained ◽  
Annual Review ◽  
Publication Date ◽  
Biochemical Processes ◽  
Substantial Progress ◽  
Biological Pattern Formation ◽  
Effective Theories ◽  
Biochemical Signals

Morphogenesis is one of the most remarkable examples of biological pattern formation. Despite substantial progress in the field, we still do not understand the organizational principles responsible for the robust convergence of the morphogenesis process across scales to form viable organisms under variable conditions. Achieving large-scale coordination requires feedback between mechanical and biochemical processes, spanning all levels of organization and relating the emerging patterns with the mechanisms driving their formation. In this review, we highlight the role of mechanics in the patterning process, emphasizing the active and synergistic manner in which mechanical processes participate in developmental patterning rather than merely following a program set by biochemical signals. We discuss the value of applying a coarse-grained approach toward understanding this complex interplay, which considers the large-scale dynamics and feedback as well as complementing the reductionist approach focused on molecular detail. A central challenge in this approach is identifying relevant coarse-grained variables and developing effective theories that can serve as a basis for an integrated framework for understanding this remarkable pattern-formation process. Expected final online publication date for the Annual Review of Cell and Developmental Biology, Volume 37 is October 2021. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

scholarly journals TADOSS: computational estimation of tandem domain swap stability

2018 ◽  
Vol 35 (14) ◽  
pp. 2507-2508 ◽  
Author(s):  
Aleix Lafita ◽  
Pengfei Tian ◽  
Robert B Best ◽  
Alex Bateman
Keyword(s):  
Large Scale ◽  
Domain Swapping ◽  
Coarse Grained ◽  
Supplementary Information ◽  
Simulation Studies ◽  
Computational Tools ◽  
Domain Swap ◽  
Computational Estimation ◽  
High Propensity ◽  
The Stability

Abstract Summary Proteins with highly similar tandem domains have shown an increased propensity for misfolding and aggregation. Several molecular explanations have been put forward, such as swapping of adjacent domains, but there is a lack of computational tools to systematically analyze them. We present the TAndem DOmain Swap Stability predictor (TADOSS), a method to computationally estimate the stability of tandem domain-swapped conformations from the structures of single domains, based on previous coarse-grained simulation studies. The tool is able to discriminate domains susceptible to domain swapping and to identify structural regions with high propensity to form hinge loops. TADOSS is a scalable method and suitable for large scale analyses. Availability and implementation Source code and documentation are freely available under an MIT license on GitHub at https://github.com/lafita/tadoss. Supplementary information Supplementary data are available at Bioinformatics online.

A new spectral coarse-graining algorithm based on K-means clustering in complex networks

2019 ◽  
Vol 33 (01) ◽  
pp. 1850421 ◽  
Author(s):  
Lang Zeng ◽  
Zhen Jia ◽  
Yingying Wang
Keyword(s):  
Complex Networks ◽  
Large Scale ◽  
Dynamic Properties ◽  
Coarse Graining ◽  
Kuramoto Model ◽  
Coarse Grained ◽  
Original Network ◽  
Topological Information ◽  
Real World Applications ◽  
Large Scale Networks

Coarse-graining of complex networks is one of the important algorithms to study large-scale networks, which is committed to reducing the size of networks while preserving some topological information or dynamic properties of the original networks. Spectral coarse-graining (SCG) is one of the typical coarse-graining algorithms, which can keep the synchronization ability of the original network well. However, the calculation of SCG is large, which limits its real-world applications. And it is difficult to accurately control the scale of the coarse-grained network. In this paper, a new SCG algorithm based on K-means clustering (KCSCG) is proposed, which cannot only reduce the amount of calculation, but also accurately control the size of coarse-grained network. At the same time, KCSCG algorithm has better effect in keeping the network synchronization ability than SCG algorithm. A large number of numerical simulations and Kuramoto-model example on several typical networks verify the feasibility and effectiveness of the proposed algorithm.

scholarly journals Subsurface characterization of a quick-clay vulnerable area using near-surface geophysics and hydrological modelling

Solid Earth ◽  
2019 ◽  
Vol 10 (5) ◽  
pp. 1685-1705
Author(s):  
Silvia Salas-Romero ◽  
Alireza Malehmir ◽  
Ian Snowball ◽  
Benoît Dessirier
Keyword(s):  
Large Scale ◽  
Geophysical Methods ◽  
Hydrological Modelling ◽  
P Wave ◽  
Coarse Grained ◽  
Near Surface ◽  
Reflection Seismic ◽  
Geotechnical Investigations ◽  
Quick Clay ◽  
Near Surface Geophysics

Abstract. Quick-clay landslides are common geohazards in Nordic countries and Canada. The presence of potential quick clays is confirmed using geotechnical investigations, but near-surface geophysical methods, such as seismic and resistivity surveys, can also help identify coarse-grained materials associated with the development of quick clays. We present the results of reflection seismic investigations on land and in part of the Göta River in Sweden, along which many quick-clay landslide scars exist. This is the first time that such a large-scale reflection seismic investigation has been carried out to study the subsurface structures associated with quick-clay landslides. The results also show a reasonable correlation with radio magnetotelluric and travel-time tomography models of the subsurface. Other ground geophysical data, such as high magnetic values, suggest a positive correlation with an increased thickness of the coarse-grained layer and shallower depths to the top of the bedrock and the top of the coarse-grained layer. The morphology of the river bottom and riverbanks, e.g. subaquatic landslide deposits, is shown by side-scan sonar and bathymetric data. Undulating bedrock, covered by subhorizontal sedimentary glacial and postglacial deposits, is clearly revealed. An extensive coarse-grained layer (P-wave velocity mostly between 1500 and 2500 m s−1 and resistivity from approximately 80 to 100 Ωm) exists within the sediments and is interpreted and modelled in a regional context. Several fracture zones are identified within the bedrock. Hydrological modelling of the coarse-grained layer confirms its potential for transporting fresh water infiltrated in fractures and nearby outcrops located in the central part of the study area. The modelled groundwater flow in this layer promotes the leaching of marine salts from the overlying clays by seasonal inflow–outflow cycles and/or diffusion, which contributes to the formation of potential quick clays.

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