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Finding predictive models for singlet fission by machine learning

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npj Computational Materials 2022年第1期8卷 669-678页

作者： Xingyu Liu Xiaopeng Wang Siyu Gao Vincent Chang Rithwik Tom Maituo Yu Luca M.Ghiringhelli noa marom Department of Materials Science and Engineering Carnegie Mellon UniversityPittsburghPA15213USA Qingdao Institute for Theoretical and Computational Sciences Shandong UniversityQingdaoShandong266237People’s Republic of China Department of Physics Carnegie Mellon UniversityPittsburghPA15213USA NOMAD Laboratory at the Fritz Haber Institute of the Max Planck Society and Humboldt University BerlinGermany Department of Chemistry Carnegie Mellon UniversityPittsburghPA15213USA

Singlet fission(SF),the conversion of one singlet exciton into two triplet excitons,could significantly enhance solar cell *** crystals that undergo SF are *** exploration may accelerate the discovery of SF ***,many-body perturbation theory(MBPT)calculations of the excitonic properties of molecular crystals are impractical for large-scale materials *** use the sure-independence-screening-and-sparsifying-operator(SISSO)machine-learning algorithm to generate computationally efficient models that can predict the MBPT thermodynamic driving force for SF for a dataset of 101 polycyclic aromatic hydrocarbons(PAH101).SISSO generates models by iteratively combining physical primary *** best models are selected by linear regression with *** SISSO models successfully predict the SF driving force with errors below 0.2 *** on the cost,accuracy,and classification performance of SISSO models,we propose a hierarchical materials screening *** potential SF candidates are found in the PAH101 set.

关键词： materials singlet independence

Explaining recently studied intermediate luminosity optical transients(ILOTs)with jet powering

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Research in Astronomy and Astrophysics 2021年第4期21卷 193-201页

作者： noam Soker noa Kaplan Department of Physics TechnionHaifa3200003Israel Guangdong Technion Israel Institute of Technology Shantou 515069China

We apply the jet-powered ILOT scenario to two recently studied intermediate luminosity optical transients(ILOTs),and find the relevant shell mass and jets’energy that might account for the outbursts of these *** the jet-powered ILOT scenario,an accretion disk around one of the stars of a binary system launches *** interaction of the jets with a previously ejected slow shell converts kinetic energy to thermal energy,part of which is radiated *** apply two models of the jet-powered ILOT *** the spherical shell model,the jets accelerate a spherical shell,while in the cocoon toy model the jets penetrate into the shell and inflate hot bubbles,the *** find consistent *** the ILOT(ILRT:intermediate luminosity red transient)SNhunt120 we find the shell mass and jets’energy to be Ms■0.5-1 M☉and E2 j■5×10^(47)erg,*** jets’half opening angle isαj■30°-60°.For the second peak of the ILOT(luminous red nova)AT 2014 ej we find these quantities to be Ms1-2 M☉and E2 j1.5×10^(48)erg,withαj■20°-30°.The models cannot tell whether these ILOTs were powered by a stellar merger that leaves one star,or by mass transfer where both stars *** both cases the masses of the shells and energies of the jets suggest that the binary progenitor system was massive,with a combined mass of M1+M210■M☉.

关键词： binaries:close stars:jets stars:variables:general

Personality in social insects： How does worker personality determine colony personality？

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Current Zoology 2012年第4期58卷 580-588页

作者： noa PINTER-WOLLMAN Department of Biology and Program in Human Biology Stanford University Stanford CA 94305 USA

ASocial insect colonies and the workers comprising them, each exhibit consistent individual differences in behavior, also known as ＇personalities＇. Because the behavior of social insect colonies emerges from the actions of their workers, individual variation among workers＇ personality may be important in determining the variation we observe among colonies. The reproduc- tive unit of social insects, on which natural selection acts, is the colony, not individual workers. Therefore, it is important to un- derstand what mechanisms govern the observed variation among colonies. Here I propose three hypotheses that address how con- sistent individual differences in the behavior of workers may lead to consistent individual differences in the behavior of colonies： 1. Colonies differ consistently in their average of worker personality; 2. The distribution but not the average of worker personali- ties varies consistently among colonies; and 3. Colony personality does not emerge from its worker personality composition but from consistent external constraints. I review evidence supporting each of these hypotheses and suggest methods to further inves-tigate them. The study of how colony personality emerges from the personalities of the workers comprising them may shed light on the mechanisms underlying consistent individual differences in the behavior of other animals .

关键词： Insect Colony Personality Worker

Persistent variation in spatial behavior affects the structure and function of interaction networks

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Current Zoology 2015年第1期61卷 98-106页

作者： noa PINTER-WOLLMAN BioCircuits Institute University of California San Diego La Jolla CA 92093 USA San Diego Center for Systems Biology University of California San Diego La Jolla CA 92093 USA

The function of a network is affected by its structure. For example, the presence of highly interactive individuals, or hubs, influences the extent and rate of information spread across a network. In a network of interactions, the duration over which individual variation in interactions persists may affect how the network operates. Individuals may persist in their behavior over time and across situations, often referred to as personality. Colonies of social insects are an example of a biological system in which the structure of the coordinated networks of interacting workers may greatly influence information flow within the colony, and therefore its collective behavior. Here I investigate the effects of persistence in walking patterns on interaction networks us- ing computer simulations that are parameterized using observed behavior of harvester ants. I examine how the duration of persis- tence in spatial behavior influences network structure. Furthermore, I explore how spatial features of the environment affect the relationship between persistent behavior and network structure. I show that as persistence increases, the skewness of the weighted degree distribution of the interaction network increases. However, this relationship holds only when ants are confined in a space with boundaries, but not when physical barriers are absent. These findings suggest that the influence of animal personalities on network structure and function depends on the environment in which the animals reside [Current Zoology 61 （1）： 98-106, 2015].

关键词： Agent based model Collective behavior Complex system Self organization Personality Temperament

Nutritional needs and mortality risk combine to shape foraging decisions in ants

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Current Zoology 2023年第6期69卷 747-755页

作者： Bryce Barbee noa Pinter-Wollman Department of Ecology and Evolutionary Biology University of CaliforniaLos AngelesCAUSA

When foraging,internal needs for particular nutrients might affect food choice,and external constraints,such as predation risk,might impact trade-offs between foraging and risk *** both internal and external constraints simultaneously can provide important insights into how animals make *** examined how internal nutritional needs and external cues of mortality risk jointly impact the foraging behavior of *** colonies require carbohydrates to support workers energetically and proteins to raise ***,colonies adjust their foraging activity in response to the environment,such as food availability and the presence of predators or *** we exam-ine the foraging decisions of groups of Argentine ants Linepithema humile,which differ in their nutritional needs in high-risk *** starved groups of ants for either proteins or carbohydrates and determined the foraging choices that ants made when cues of heterospecifics were *** found that ants preferentially forage for carbohydrates in high-risk ***,starvation for carbohydrates increased the ants'preference for carbohydrates,even when cues of heterospecifics were present at both carbohydrates and protein *** for protein also resulted in preferential foraging for carbohydrates,but it increased visitation to a protein food source in high-risk envi-ronments compared to when ants were starved for carbohydrates or for both *** the effect of both nutrition and mortality risk on foraging simultaneously provides insights about state-dependent risk-taking behavior that may have important implications for predicting theinvasionofspecies intonovelhabitats.

关键词： decision-making foraging nutrition risk trade-offs

Colonies of ants allocate exploratory individuals to where they are ecologically needed

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Current Zoology 2023年第5期69卷 585-591页

作者： Max Madrzyk noa Pinter-Wollman Department of Ecology and Evolutionary Biology University of CaliforniaLos AngelesCAUSA

Individual differences in behavior have large consequences for the way in which ecology impacts *** differ in how they explore their environment and how exploratory behavior benefits *** group-living animals,behavioral heterogeneity can be beneficial because different individuals perform different *** example,exploratory individuals may discover new food sources and recruit group members to exploit the food,while less exploratory individuals forgo the risks of *** we ask how individual variation in exploratory behavior affects the ability of Argentine ant Linepithema humile colonies to(1)locate novel food sources,(2)exploit known food resources,and(3)respond to disruptions while *** address these questions,we conducted field experiments on *** foraging trails in which we manipulated food availability near and at the foraging trails and disrupted the foraging *** sampled individuals based on their response to the perturbations in the field and tested their exploratory behavior in the *** found that exploratory individuals benefit the colony by locating novel foods and increasing resource exploitation,but they do not play an important role in the recovery of a foraging trail after ***,the benefits of behavioral heterogeneity to the group,specifically in exploratory behavior,differ across ecological contexts.

关键词： exploration foraging individual variation novel resources recruitment resilience

An introduction to the special column on animal social networks

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Current Zoology 2015年第1期61卷 42-44页

作者： noa PINTER-WOLLMAN Guest Editor BioCircuits Institute University of California at San Diego 9500 Gilman Dr. Mail Code 0328 La Jolla CA 92093 USA

The use of social network analysis to examine the behavior of social animals has grown rapidly in the past decade. Highly accessible books introducing network analysis techniques to the animal behavior research community （Croft et al., 2008; Whitehead, 2008） provide a gateway to the field. Furthermore, periodical reviews outlining the progress of the field and introducing both new biological questions and new analysis techniques （Krause et al., 2007; Wey et al., 2008; Sih et al., 2009; Croft et al,, 2011; Blonder et al., 2012; McDonald and Shizuka, 2013; Pinter-Wollman et al., 2014） fertilize the growth of the use of social network analysis to study animal social behavior.

关键词：网络分析技术社会性动物社交行为研究社会行为克劳斯生物学 SIH

Using multilayer network analysis to explore the temporal dynamics of collective behavior

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Current Zoology 2021年第1期67卷 71-80页

作者： David N.FISHER noa PINTER-WOLLMAN Department of Psychology Neuroscience&BehaviourMcMaster UniversityHamiltonON L8S 4K1Canada School of Biological Sciences University of AberdeenAberdeenAB243FXUK Department of Ecology and Evolutionary Biology University of CaliforniaLos AngelesCAUSA

Social organisms often show collective behaviors such as group foraging or *** behaviors can emerge from interactions between group members and may depend on the behavior of key *** social interactions change over time,collective behaviors may change because these behaviors emerge from interactions among *** the importance of,and growing interest in,the temporal dynamics of social interactions,it is not clear how to quantify changes in interactions over time or measure their ***,the temporal scale at which we should observe changes in social networks to detect biologically meaningful changes is not always *** we use multilayer network analysis to quantify temporal dynamics of social networks of the social spider Stegodyphus dumicola and determine how these dynamics relate to individual and group *** found that social interactions changed over time at a constant *** in both network structure and the identity of a keystone individual was not related to the mean or variance of the collective prey attack *** that maintained a large and stable number of connections,despite changes in network structure,were the boldest individuals in the ***,social interactions and boldness are linked across time,but group collective behavior is not influenced by the stability of the social *** work demonstrates that dynamic social networks can be modeled in a multilayer *** approach may reveal biologically important temporal changes to social structure in other systems.

关键词： collective behavior dynamic network multilayer network multiplex social stability Stegodyphus

The effect of fasting and body reserves on cola tolerance in 2 pit-building insect predators

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Current Zoology 2017年第3期63卷 287-294页

作者： Inon SCHARF Alma DANIEL Heath Andrew MACMILLAN noa KATZ Department of Zoology Faculty of Life Sciences Tel Aviv University POB 39040 69978 Tel Aviv Israel Department of Biology York University 4700 Keele St. Toronto Ontario Canada

Pit-building antlions and wormlions are 2 distantly-related insect species, whose larvae construct pits in loose soil to trap small arthropod prey. This convergent evolution of natural histories has led to additional similarities in their natural history and ecology, and thus, these 2 species encounter similar abiotic stress （such as periodic starvation） in their natural habitat. Here, we measured the cold tolerance of the 2 species and examined whether recent feeding or food deprivation, as well as body composition （body mass and lipid content） and condition （quantified as mass-to-size residuals） affect their cold tolerance. In contrast to other insects, in which food deprivation either enhanced or impaired cold tolerance, prolonged fasting had no effect on the cold tolerance of either species, which had similar cold tolerance. The 2 species differed, however, in how cold tolerance related to body mass and lipid content： although body mass was positively correlated with the wormlion cold tolerance, lipid content was a more reliable predictor of cold tolerance in the antlions. Cold tolerance also underwent greater change with ontogeny in wormlions than in antlions. We discuss possible reasons for this lack of effect of food deprivation on both species＇ cold tolerance, such as their high starvation tolerance （being sit-and-wait predators）.

关键词： chill coma deprivation ecophysiology fat content food hunger morphometrics Myrmeleontidae Vermileonidae.