BITS Faculty Publications

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    Evaluating LLMs for zeolite synthesis event extraction (ZSEE) : a systematic analysis of prompting strategies
    (2025-12) Ray, Saumi
    Extracting structured information from zeolite synthesis experimental procedures is critical for materials discovery, yet existing methods have not systematically evaluated Large Language Models (LLMs) for this domain-specific task. This work addresses a fundamental question: what is the efficacy of different prompting strategies when applying LLMs to scientific information extraction? We focus on four key subtasks: event type classification (identifying synthesis steps), trigger text identification (locating event mentions), argument role extraction (recognizing parameter types), and argument text extraction (extracting parameter values). We evaluate four prompting strategies - zero-shot, few-shot, event-specific, and reflection-based - across six state-of-the-art LLMs (Gemma-3-12b-it, GPT-5-mini, O4-mini, Claude-Haiku-3.5, DeepSeek reasoning and non-reasoning) using the ZSEE dataset of 1,530 annotated sentences. Results demonstrate strong performance on event type classification (80-90\% F1) but modest performance on fine-grained extraction tasks, particularly argument role and argument text extraction (50-65\% F1). GPT-5-mini exhibits extreme prompt sensitivity with 11-79\% F1 variation. Notably, advanced prompting strategies provide minimal improvements over zero-shot approaches, revealing fundamental architectural limitations. Error analysis identifies systematic hallucination, over-generalization, and inability to capture synthesis-specific nuances. Our findings demonstrate that while LLMs achieve high-level understanding, precise extraction of experimental parameters requires domain-adapted models, providing quantitative benchmarks for scientific information extraction.
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    Unstar: unlearning with self-taught anti-sample reasoning for ILMS
    (2024-10) Sinha, Yash
    The key components of machine learning are data samples for training, model for learning patterns, and loss function for optimizing accuracy. Analogously, unlearning can potentially be achieved through anti-data samples (or anti-samples), unlearning method, and reversed loss function. While prior research has explored unlearning methods and reversed loss functions, the potential of anti-samples remains largely untapped. In this paper, we introduce UnSTAR: Unlearning with Self-Taught Anti-Sample Reasoning for large language models (LLMs). Our contributions are threefold; first, we propose a novel concept of anti-sample-induced unlearning; second, we generate anti-samples by leveraging misleading rationales, which help reverse learned associations and accelerate the unlearning process; and third, we enable fine-grained targeted unlearning, allowing for the selective removal of specific associations without impacting related knowledge - something not achievable by previous works. Results demonstrate that anti-samples offer an efficient, targeted unlearning strategy for LLMs, opening new avenues for privacy-preserving machine learning and model modification.
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    Orgaccess: a benchmark for role based access control in organization scale llms
    (2025-05) Sinha, Yash
    Role-based access control (RBAC) and hierarchical structures are foundational to how information flows and decisions are made within virtually all organizations. As the potential of Large Language Models (LLMs) to serve as unified knowledge repositories and intelligent assistants in enterprise settings becomes increasingly apparent, a critical, yet under explored, challenge emerges: \textit{can these models reliably understand and operate within the complex, often nuanced, constraints imposed by organizational hierarchies and associated permissions?} Evaluating this crucial capability is inherently difficult due to the proprietary and sensitive nature of real-world corporate data and access control policies. We introduce a synthetic yet representative \textbf{OrgAccess} benchmark consisting of 40 distinct types of permissions commonly relevant across different organizational roles and levels. We further create three types of permissions: 40,000 easy (1 permission), 10,000 medium (3-permissions tuple), and 20,000 hard (5-permissions tuple) to test LLMs' ability to accurately assess these permissions and generate responses that strictly adhere to the specified hierarchical rules, particularly in scenarios involving users with overlapping or conflicting permissions. Our findings reveal that even state-of-the-art LLMs struggle significantly to maintain compliance with role-based structures, even with explicit instructions, with their performance degrades further when navigating interactions involving two or more conflicting permissions. Specifically, even \textbf{GPT-4.1 only achieves an F1-Score of 0.27 on our hardest benchmark}. This demonstrates a critical limitation in LLMs' complex rule following and compositional reasoning capabilities beyond standard factual or STEM-based benchmarks, opening up a new paradigm for evaluating their fitness for practical, structured environments.
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    Step-by-step reasoning attack: revealing 'erased' knowledge in large language models
    (2025-06) Sinha, Yash
    Knowledge erasure in large language models (LLMs) is important for ensuring compliance with data and AI regulations, safeguarding user privacy, mitigating bias, and misinformation. Existing unlearning methods aim to make the process of knowledge erasure more efficient and effective by removing specific knowledge while preserving overall model performance, especially for retained information. However, it has been observed that the unlearning techniques tend to suppress and leave the knowledge beneath the surface, thus making it retrievable with the right prompts. In this work, we demonstrate that \textit{step-by-step reasoning} can serve as a backdoor to recover this hidden information. We introduce a step-by-step reasoning-based black-box attack, Sleek, that systematically exposes unlearning failures. We employ a structured attack framework with three core components: (1) an adversarial prompt generation strategy leveraging step-by-step reasoning built from LLM-generated queries, (2) an attack mechanism that successfully recalls erased content, and exposes unfair suppression of knowledge intended for retention and (3) a categorization of prompts as direct, indirect, and implied, to identify which query types most effectively exploit unlearning weaknesses. Through extensive evaluations on four state-of-the-art unlearning techniques and two widely used LLMs, we show that existing approaches fail to ensure reliable knowledge removal. Of the generated adversarial prompts, 62.5% successfully retrieved forgotten Harry Potter facts from WHP-unlearned Llama, while 50% exposed unfair suppression of retained knowledge. Our work highlights the persistent risks of information leakage, emphasizing the need for more robust unlearning strategies for erasure.
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    Weak links in Linkedin: enhancing fake profile detection in the age of llms
    (2025-07) Agarwal, Vinti
    Large Language Models (LLMs) have made it easier to create realistic fake profiles on platforms like LinkedIn. This poses a significant risk for text-based fake profile detectors. In this study, we evaluate the robustness of existing detectors against LLM-generated profiles. While highly effective in detecting manually created fake profiles (False Accept Rate: 6-7%), the existing detectors fail to identify GPT-generated profiles (False Accept Rate: 42-52%). We propose GPT-assisted adversarial training as a countermeasure, restoring the False Accept Rate to between 1-7% without impacting the False Reject Rates (0.5-2%). Ablation studies revealed that detectors trained on combined numerical and textual embeddings exhibit the highest robustness, followed by those using numerical-only embeddings, and lastly those using textual-only embeddings. Complementary analysis on the ability of prompt-based GPT-4Turbo and human evaluators affirms the need for robust automated detectors such as the one proposed in this study.
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    SAC: a framework for measuring and inducing personality traits in llms with dynamic intensity control
    (2025-06) Challa, Jagat Sesh; Kumar, Dhruv
    Large language models (LLMs) have gained significant traction across a wide range of fields in recent years. There is also a growing expectation for them to display human-like personalities during interactions. To meet this expectation, numerous studies have proposed methods for modelling LLM personalities through psychometric evaluations. However, most existing models face two major limitations: they rely on the Big Five (OCEAN) framework, which only provides coarse personality dimensions, and they lack mechanisms for controlling trait intensity. In this paper, we address this gap by extending the Machine Personality Inventory (MPI), which originally used the Big Five model, to incorporate the 16 Personality Factor (16PF) model, allowing expressive control over sixteen distinct traits. We also developed a structured framework known as Specific Attribute Control (SAC) for evaluating and dynamically inducing trait intensity in LLMs. Our method introduces adjective-based semantic anchoring to guide trait intensity expression and leverages behavioural questions across five intensity factors: \textit{Frequency}, \textit{Depth}, \textit{Threshold}, \textit{Effort}, and \textit{Willingness}. Through experimentation, we find that modelling intensity as a continuous spectrum yields substantially more consistent and controllable personality expression compared to binary trait toggling. Moreover, we observe that changes in target trait intensity systematically influence closely related traits in psychologically coherent directions, suggesting that LLMs internalize multi-dimensional personality structures rather than treating traits in isolation. Our work opens new pathways for controlled and nuanced human-machine interactions in domains such as healthcare, education, and interviewing processes, bringing us one step closer to truly human-like social machines.
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    The Impact of Large Language Models on K-12 Education in Rural India: A Thematic Analysis of Student Volunteer's Perspectives
    (2025-05) Kumar, Dhruv; Challa, Jagat Sesh; Ramachandran, Veena
    AI-driven education, particularly Large Language Models (LLMs), has the potential to address learning disparities in rural K-12 schools. However, research on AI adoption in rural India remains limited, with existing studies focusing primarily on urban settings. This study examines the perceptions of volunteer teachers on AI integration in rural education, identifying key challenges and opportunities. Through semi-structured interviews with 23 volunteer educators in Rajasthan and Delhi, we conducted a thematic analysis to explore infrastructure constraints, teacher preparedness, and digital literacy gaps. Findings indicate that while LLMs could enhance personalized learning and reduce teacher workload, barriers such as poor connectivity, lack of AI training, and parental skepticism hinder adoption. Despite concerns over over-reliance and ethical risks, volunteers emphasize that AI should be seen as a complementary tool rather than a replacement for traditional teaching. Given the potential benefits, LLM-based tutors merit further exploration in rural classrooms, with structured implementation and localized adaptations to ensure accessibility and equity.
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    Investigating pedagogical teacher and student LLM agents: genetic adaptation meets retrieval augmented generation across learning style
    (2025-05) Kumar, Dhruv
    Effective teaching requires adapting instructional strategies to accommodate the diverse cognitive and behavioral profiles of students, a persistent challenge in education and teacher training. While Large Language Models (LLMs) offer promise as tools to simulate such complex pedagogical environments, current simulation frameworks are limited in two key respects: (1) they often reduce students to static knowledge profiles, and (2) they lack adaptive mechanisms for modeling teachers who evolve their strategies in response to student feedback. To address these gaps, \textbf{we introduce a novel simulation framework that integrates LLM-based heterogeneous student agents with a self-optimizing teacher agent}. The teacher agent's pedagogical policy is dynamically evolved using a genetic algorithm, allowing it to discover and refine effective teaching strategies based on the aggregate performance of diverse learners. In addition, \textbf{we propose Persona-RAG}, a Retrieval Augmented Generation module that enables student agents to retrieve knowledge tailored to their individual learning styles. Persona-RAG preserves the retrieval accuracy of standard RAG baselines while enhancing personalization, an essential factor in modeling realistic educational scenarios. Through extensive experiments, we demonstrate how our framework supports the emergence of distinct and interpretable teaching patterns when interacting with varied student populations. Our results highlight the potential of LLM-driven simulations to inform adaptive teaching practices and provide a testbed for training human educators in controlled, data-driven environments.
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    Automated type annotation in Python using large language models
    (2025-08) Kumar, Dhruv
    Type annotations in Python enhance maintainability and error detection. However, generating these annotations manually is error prone and requires extra effort. Traditional automation approaches like static analysis, machine learning, and deep learning struggle with limited type vocabularies, behavioral over approximation, and reliance on large labeled datasets. In this work, we explore the use of LLMs for generating type annotations in Python. We develop a generate check repair pipeline: the LLM proposes annotations guided by a Concrete Syntax Tree representation, a static type checker (Mypy) verifies them, and any errors are fed back for iterative refinement. We evaluate four LLM variants: GPT 4oMini, GPT 4.1mini (general-purpose), and O3Mini, O4Mini (reasoning optimized), on 6000 code snippets from the ManyTypes4Py benchmark. We first measure the proportion of code snippets annotated by LLMs for which MyPy reported no errors (i.e., consistent results): GPT 4oMini achieved consistency on 65.9% of cases (34.1% inconsistent), while GPT 4.1mini, O3Mini, and O4Mini each reached approximately 88.6% consistency (around 11.4% failures). To measure annotation quality, we then compute exact-match and base-type match accuracies over all 6000 snippets: GPT 4.1mini and O3Mini perform the best, achieving up to 70.5% exact match and 79.1% base type accuracy, requiring under one repair iteration on average. Our results demonstrate that general-purpose and reasoning optimized LLMs, without any task specific fine tuning or additional training can be effective in generating consistent type this http URL perform competitively with traditional deep learning techniques which require large labeled dataset for training. While our work focuses on Python, the pipeline can be extended to other optionally typed imperative languages like Ruby
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    Sakshm AI: advancing ai-assisted coding education for engineering students in india through socratic tutoring and comprehensive feedback
    (2025-03) Challa, Jagat Sesh
    he advent of Large Language Models (LLMs) is reshaping education, particularly in programming, by enhancing problem-solving, enabling personalized feedback, and supporting adaptive learning. Existing AI tools for programming education struggle with key challenges, including the lack of Socratic guidance, direct code generation, limited context retention, minimal adaptive feedback, and the need for prompt engineering. To address these challenges, we introduce Sakshm AI, an intelligent tutoring system for learners across all education levels. It fosters Socratic learning through Disha, its inbuilt AI chatbot, which provides context-aware hints, structured feedback, and adaptive guidance while maintaining conversational memory and supporting language flexibility. This study examines 1170 registered participants, analyzing platform logs, engagement trends, and problem-solving behavior to assess Sakshm AI's impact. Additionally, a structured survey with 45 active users and 25 in-depth interviews was conducted, using thematic encoding to extract qualitative insights. Our findings reveal how AI-driven Socratic guidance influences problem-solving behaviors and engagement, offering key recommendations for optimizing AI-based coding platforms. This research combines quantitative and qualitative insights to inform AI-assisted education, providing a framework for scalable, intelligent tutoring systems that improve learning outcomes. Furthermore, Sakshm AI represents a significant step toward Sustainable Development Goal 4 Quality Education, providing an accessible and structured learning tool for undergraduate students, even without expert guidance. This is one of the first large-scale studies examining AI-assisted programming education across multiple institutions and demographics.