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Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) molecular and material design; (3) automation and novel interfaces; (4) scientific communication and education; (5) research data management and automation; (6) hypothesis generation and evaluation; and (7) knowledge extraction and reasoning from scientific literature. Each team submission is presented in a summary table with links to the code and as brief papers in the appendix. Beyond team results, we discuss the hackathon event and its hybrid format, which included physical hubs in Toronto, Montreal, San Francisco, Berlin, Lausanne, and Tokyo, alongside a global online hub to enable local and virtual collaboration. Overall, the event highlighted significant improvements in LLM capabilities since the previous year's hackathon, suggesting continued expansion of LLMs for applications in materials science and chemistry research. These outcomes demonstrate the dual utility of LLMs as both multipurpose models for diverse machine learning tasks and platforms for rapid prototyping custom applications in scientific research., Comment: 98 pages

This research presents a framework for analyzing the dynamics of online communities in social media platforms, utilizing a temporal fusion of text and network data. By combining text classification and dynamic social network analysis, we uncover mechanisms driving community formation and evolution, revealing the influence of real-world events. We introduced fourteen key elements based on social science theories to evaluate social media dynamics, validating our framework through a case study of Twitter data during major U.S. events in 2020. Our analysis centers on discrimination discourse, identifying sexism, racism, xenophobia, ableism, homophobia, and religious intolerance as main fragments. Results demonstrate rapid community emergence and dissolution cycles representative of discourse fragments. We reveal how real-world circumstances impact discourse dominance and how social media contributes to echo chamber formation and societal polarization. Our comprehensive approach provides insights into discourse fragmentation, opinion dynamics, and structural aspects of online communities, offering a methodology for understanding the complex interplay between online interactions and societal trends.

The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial automation for data extraction for specific use cases. The advent of large language models (LLMs) represents a significant shift, potentially enabling efficient extraction of structured, actionable data from unstructured text by non-experts. While applying LLMs to materials science data extraction presents unique challenges, domain knowledge offers opportunities to guide and validate LLM outputs. This review provides a comprehensive overview of LLM-based structured data extraction in materials science, synthesizing current knowledge and outlining future directions. We address the lack of standardized guidelines and present frameworks for leveraging the synergy between LLMs and materials science expertise. This work serves as a foundational resource for researchers aiming to harness LLMs for data-driven materials research. The insights presented here could significantly enhance how researchers across disciplines access and utilize scientific information, potentially accelerating the development of novel materials for critical societal needs.

Social media have the potential to provide timely information about emergency situations and sudden events. However, finding relevant information among millions of posts being posted every day can be difficult, and developing a data analysis project usually requires time and technical skills. This study presents an approach that provides flexible support for analyzing social media, particularly during emergencies. Different use cases in which social media analysis can be adopted are introduced, and the challenges of retrieving information from large sets of posts are discussed. The focus is on analyzing images and text contained in social media posts and a set of automatic data processing tools for filtering, classification, and geolocation of content with a human-in-the-loop approach to support the data analyst. Such support includes both feedback and suggestions to configure automated tools, and crowdsourcing to gather inputs from citizens. The results are validated by discussing three case studies developed within the Crowd4SDG H2020 European project.

Rapid impact assessment in the immediate aftermath of a natural disaster is essential to provide adequate information to international organisations, local authorities, and first responders. Social media can support emergency response with evidence-based content posted by citizens and organisations during ongoing events. In the paper, we propose TriggerCit: an early flood alerting tool with a multilanguage approach focused on timeliness and geolocation. The paper focuses on assessing the reliability of the approach as a triggering system, comparing it with alternative sources for alerts, and evaluating the quality and amount of complementary information gathered. Geolocated visual evidence extracted from Twitter by TriggerCit was analysed in two case studies on floods in Thailand and Nepal in 2021., Comment: 12 pages Keywords Social Media, Disaster management, Early Alerting

Social Media provides a trove of information that, if aggregated and analysed appropriately can provide important statistical indicators to policy makers. In some situations these indicators are not available through other mechanisms. For example, given the ongoing COVID-19 outbreak, it is essential for governments to have access to reliable data on policy-adherence with regards to mask wearing, social distancing, and other hard-to-measure quantities. In this paper we investigate whether it is possible to obtain such data by aggregating information from images posted to social media. The paper presents VisualCit, a pipeline for image-based social sensing combining recent advances in image recognition technology with geocoding and crowdsourcing techniques. Our aim is to discover in which countries, and to what extent, people are following COVID-19 related policy directives. We compared the results with the indicators produced within the CovidDataHub behavior tracker initiative. Preliminary results shows that social media images can produce reliable indicators for policy makers., Comment: 10 pages, 9 figures, to be published in Proceedings of ICSE Software Engineering in Society, May 2021

Context: The success of software crowdsourcing depends on steady tasks supply and active worker pool. Existing analysis reveals an average task failure ratio of 15.7% in software crowdsourcing market. Goal: The objective of this study is to empirically investigate patterns and effect of task diversity in software crowdsourcing platform in order to improve the success and efficiency of software crowdsourcing. Method: We propose a conceptual task diversity model, and develop an approach to measuring and analyzing task diversity.More specifically, this includes grouping similar tasks, ranking them based on their competition level and identifying the dominant attributes that distinguish among these levels, and then studying the impact of task diversity on task success and worker performance in crowdsourcing platform. The empirical study is conducted on more than one year's real-world data from TopCoder, the leading software crowdsourcing platform. Results: We identified that monetary prize and task complexity are the dominant attributes that differentiate among different competition levels. Based on these dominant attributes, we found three task diversity patterns (configurations) from workers behavior perspective: responsive to prize, responsive to prize and complexity and over responsive to prize. This study supports that1) responsive to prize configuration provides highest level of task density and workers' reliability in a platform; 2) responsive to prize and complexity configuration leads to attracting high level of trustworthy workers; 3) over responsive to prize configuration results in highest task stability and the lowest failure ratio in the platform for not high similar tasks., Comment: 10 pages, 8 figures, 3 tables

The Shockley-Queisser (SQ) limit provides a convenient metric for predicting light-to-electricity conversion efficiency of a solar cell based on the band gap of the light-absorbing layer. In reality, few materials approach this radiative limit. We develop a formalism and a computational method to predict the maximum photovoltaic efficiency of imperfect crystals from first principles. Our scheme includes equilibrium populations of native defects, their carrier-capture coefficients, and the associated recombination rates. When applied to kesterite solar cells, we reveal an intrinsic limit of 20% for $\mathrm{Cu_2ZnSnSe_4}$, which falls far below the SQ limit of 32%. The effects of atomic substitution and extrinsic doping are studied, leading to pathways for enhanced efficiency of 31%. This approach can be applied to support targeted-materials selection for future solar-energy technologies., Comment: 12 pages, 8 figures, 2 tables