arXiv subjects

Aritra Roy

Publications and source records attributed to Aritra Roy.

6 recordsLinked to original sources

arXiv2026

Correlative effects of induced magnetic field-buoyancy on reactive solute dispersion dynamics in couple-stress fluids

We investigate the dispersion of a reactive solute in a couple-stress fluid flowing between two parallel plates under the combined effects of pressure-driven flow, buoyancy, and an induced magnetic field. The model incorporates first-order heterogeneous reactions at both channel walls alongside a bulk reaction. Using Mei's multiscale homogenization technique accurate to third order, we develop a higher-order asymptotic formulation to determine the effective longitudinal dispersion coefficient and concentration field. Analytical predictions are complemented by Brownian dynamics simulations and finite-difference solutions, while the Aris method of moments quantifies transient mean displacement, spatial variance, and effective dispersivity. The hydrodynamic analysis reveals a singular branch in the velocity solution when the Hartmann number equals half the couple-stress parameter and identifies a characteristic quarter-power scaling between the Hartmann number and couple-stress parameter, separating couple-stress- and magnetically dominated regimes. The model recovers classical Taylor-dispersion behavior in the non-reactive Newtonian limit and agrees well with experimental measurements. Couple-stress rheology and magnetic damping suppress shear-induced dispersion, whereas buoyancy enhances dispersion through additional transverse velocity gradients. A distinct saturation regime of the dispersion coefficient emerges with an increasing couple-stress parameter, while unequal wall absorption induces persistent transverse asymmetry, and stronger absorption enhances solute removal near the source. Numerical and stochastic results validate the analytical framework while resolving higher-order concentration structures and particle-scale wall adsorption.

physics.flu-dyn↗

arXiv2026

Beyond Text and Tables: Vision-Language Model Integration in ComProScanner for Extracting Materials Data from Scientific Figures with High Accuracy

Automated extraction of materials composition-property data from scientific literature has advanced considerably with the development of large language model-based pipelines; however, existing frameworks remain limited to textual and tabular content, overlooking the substantial proportion of quantitative property data reported exclusively in scientific figures. Here, we extend ComProScanner, a fully end-to-end multi-agent framework for automated composition-property database construction, with a native vision-language model (VLM) based figure extraction capability. The extension introduces a FigureExtractor utility for caption-keyword-based figure filtering across all supported publishers, and a GraphExtractorTool agent that passes extracted figures to a configurable VLM to recover composition-property pairs from scientific charts and plots. Four VLMs are selected for evaluation on the basis of the LMArena Diagram leaderboard with an input cost criterion of less than \$1.50 per million tokens. Benchmarking on 50 piezoelectric ceramic articles from the established $d_{33}$ test corpus demonstrates that Gemini-3-Flash-Preview achieves the highest performance with a composition accuracy of 0.97 and a normalised F1 score of 0.97, whilst remaining the most cost-effective model among the four evaluated. We additionally introduce a range-based value error threshold parameter into the evaluation framework, providing a more physically meaningful assessment of numeric property values extracted from figures than exact value matching. These contributions establish VLM-integrated ComProScanner as the first materials-specific, fully automated, multimodal literature mining platform capable of extracting structured composition-property data from text, tables, and figures within a single unified pipeline.

cs.IR↗

arXiv2026

From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.

cond-mat.mtrl-sci↗

arXiv2025

ComProScanner: A multi-agent based framework for composition-property structured data extraction from scientific literature

Since the advent of various pre-trained large language models, extracting structured knowledge from scientific text has experienced a revolutionary change compared with traditional machine learning or natural language processing techniques. Despite these advances, accessible automated tools that allow users to construct, validate, and visualise datasets from scientific literature extraction remain scarce. We therefore developed ComProScanner, an autonomous multi-agent platform that facilitates the extraction, validation, classification, and visualisation of machine-readable chemical compositions and properties, integrated with synthesis data from journal articles for comprehensive database creation. We evaluated our framework using 100 journal articles against 10 different LLMs, including both open-source and proprietary models, to extract highly complex compositions associated with ceramic piezoelectric materials and corresponding piezoelectric strain coefficients (d33), motivated by the lack of a large dataset for such materials. DeepSeek-V3-0324 outperformed all models with a significant overall accuracy of 0.82. This framework provides a simple, user-friendly, readily-usable package for extracting highly complex experimental data buried in the literature to build machine learning or deep learning datasets.

physics.comp-ph↗

arXiv2025

34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery

Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 34 total projects developed during the second annual Large Language Model Hackathon for Applications in Materials Science and Chemistry, a global hybrid event. These projects spanned seven key research areas: (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 the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.

cs.LG↗

arXiv2022

Eating Smart: Free-ranging dogs follow an optimal foraging strategy while scavenging in groups

Foraging and acquiring of food is a delicate balance between managing the costs, both energy and social, and individual preferences. Previous research on the solitary foraging of free ranging dogs showed that they prioritized the nutritionally highest valued food patch first but do not ignore other less valuable food either, displaying typical scavenger behaviour. The current experiment was carried out on groups of dogs with the same set up to see the change in foraging strategies, if any, under the influence of social cost like intra-group competition. We found multiple differences between the strategies of dogs foraging alone versus in groups with competition playing an implicit role in the decision making of dogs when foraging in groups. Dogs were able to continually assess and evaluate the available resources in a patch and adjust their behaviour accordingly. Foraging in groups also provided benefits of reduced individual vigilance. The various decisions and choices made seemed to have a basis in the optimal foraging theory wherein the dogs harvested the nutritionally richest patch possible with the least risk and cost involved but was willing to compromise if that was not possible. This underscores the cognitive, quick decision-making abilities and adaptable behaviour of these dogs.

q-bio.PE↗