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Researcher profile

Anurag Acharya

Anurag Acharya contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
Artificial IntelligenceComputation and LanguageMachine Learningphysics.comp-ph

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Published work

4 published item(s)

preprint2026arXiv

A Cloud-based Multi-Agentic Workflow for Science

As Large Language Models (LLMs) become ubiquitous across various scientific domains, their lack of ability to perform complex tasks like running simulations or to make complex decisions limits their utility. LLM-based agents bridge this gap due to their ability to call external resources and tools and thus are now rapidly gaining popularity. However, coming up with a workflow that can balance the models, cloud providers, and external resources is very challenging, making implementing an agentic system more of a hindrance than a help. In this work, we present a domain-agnostic, model-independent workflow for an agentic framework that can act as a scientific assistant while being run entirely on cloud. Built with a supervisor agent marshaling an array of agents with individual capabilities, our framework brings together straightforward tasks like literature review and data analysis with more complex ones like simulation runs. We describe the framework here in full, including a proof-of-concept system we built to accelerate the study of Catalysts, which is highly important in the field of Chemistry and Material Science. We report the cost to operate and use this framework, including the breakdown of the cost by services use. We also evaluate our system on a custom-curated synthetic benchmark and a popular Chemistry benchmark, and also perform expert validation of the system. The results show that our system is able to route the task to the correct agent 90% of the time and successfully complete the assigned task 97.5% of the time for the synthetic tasks and 91% of the time for real-world tasks, while still achieving better or comparable accuracy to most frontier models, showing that this is a viable framework for other scientific domains to replicate.

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

Evaluating Memory Condensation Strategies for Coding Agents in Data-Driven Scientific Discovery

Coding agents accumulate extensive context during long-running tasks, yet fixed context windows force practitioners to choose between truncation and task failure. While numerous memory condensation strategies have been proposed, from simple sliding windows to LLM-generated summaries, no systematic comparison exists to guide strategy selection, especially in scientific discovery tasks. We evaluate eight memory condensation strategies using GPT-4o on sixty DiscoveryBench tasks spanning six scientific domains (480 total evaluations). We find that no condenser significantly alters hypothesis quality, while LLM-based condensers increase token costs by 24-94 percent, and masking tool-call outputs achieves an 8.6 percent net savings. We also observe that the optimal condenser for data-driven scientific discovery varies by scientific domain and task length.

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preprint2026arXiv

SCICONVBENCH: Benchmarking LLMs on Multi-Turn Clarification for Task Formulation in Computational Science

Large Language Models (LLMs) are increasingly deployed as scientific AI as- sistants, and a growing body of benchmarks evaluates their capabilities across knowledge retrieval, reasoning, code generation, and tool use. These evaluations, however, typically assume the scientific problem is already well-posed, whereas practical scientific assistance often begins with an ill-posed user request that must be refined through dialogue before any computation, analysis, or experiment can be carried out reliably. We introduce SCICONVBENCH, a benchmark for multi- turn clarification in scientific task formulation across four computational science problem domains: fluid mechanics, solid mechanics, materials science, and par- tial differential equations (PDEs). SCICONVBENCH targets two complementary capabilities: eliciting missing information (disambiguation) and detecting and correcting erroneous requests containing internally contradictory information (in- consistency resolution). Our benchmark pairs a structured task ontology with a rubric-based evaluation framework, enabling systematic measurement of LLM per- formance across three dimensions: clarification behavior, conversational grounding, and final-specification fidelity. Current frontier models perform relatively well on inconsistency resolution, but even the best model resolves only 52.7% of the disambiguation cases in fluid mechanics. We further find that frontier LLMs fre- quently make silent assumptions and perform implicit specification repairs that are not grounded in the conversation with users. SCICONVBENCH establishes a foundation for evaluating the upstream conversational reasoning that a reliable computational science assistant requires. The code and data can be found at https://github.com/csml-rpi/SciConvBench.

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preprint2022arXiv

Finding Trolls Under Bridges: Preliminary Work on a Motif Detector

Motifs are distinctive recurring elements found in folklore that have significance as communicative devices in news, literature, press releases, and propaganda. Motifs concisely imply a large constellation of culturally-relevant information, and their broad usage suggests their cognitive importance as touchstones of cultural knowledge, making their detection a worthy step toward culturally-aware natural language processing tasks. Until now, folklorists and others interested in motifs have only extracted motifs from narratives manually. We present a preliminary report on the development of a system for automatically detecting motifs. We briefly describe an annotation effort to produce data for training motif detection, which is on-going. We describe our in-progress architecture in detail, which aims to capture, in part, how people determine whether or not a motif candidate is being used in a motific way. This description includes a test of an off-the-shelf metaphor detector as a feature for motif detection, which achieves a F1 of 0.35 on motifs and a macro-average F1 of 0.21 across four categories which we assign to motif candidates.

0 citations0 reviewsNo code linkedOpen access