arXiv subjects

Nitesh V. Chawla

Publications and source records attributed to Nitesh V. Chawla.

At least 37 records · Page 2Linked to original sources

arXiv2026

On the Trustworthiness of Generative Foundation Models: Guideline, Assessment, and Perspective

Generative Foundation Models (GenFMs) have emerged as transformative tools. However, their widespread adoption raises critical concerns regarding trustworthiness across dimensions. This paper presents a comprehensive framework to address these challenges through three key contributions. First, we systematically review global AI governance laws and policies from governments and regulatory bodies, as well as industry practices and standards. Based on this analysis, we propose a set of guiding principles for GenFMs, developed through extensive multidisciplinary collaboration that integrates technical, ethical, legal, and societal perspectives. Second, we introduce TrustGen, the first dynamic benchmarking platform designed to evaluate trustworthiness across multiple dimensions and model types, including text-to-image, large language, and vision-language models. TrustGen leverages modular components--metadata curation, test case generation, and contextual variation--to enable adaptive and iterative assessments, overcoming the limitations of static evaluation methods. Using TrustGen, we reveal significant progress in trustworthiness while identifying persistent challenges. Finally, we provide an in-depth discussion of the challenges and future directions for trustworthy GenFMs, which reveals the complex, evolving nature of trustworthiness, highlighting the nuanced trade-offs between utility and trustworthiness, and consideration for various downstream applications, identifying persistent challenges and providing a strategic roadmap for future research. This work establishes a holistic framework for advancing trustworthiness in GenAI, paving the way for safer and more responsible integration of GenFMs into critical applications. To facilitate advancement in the community, we release the toolkit for dynamic evaluation.

cs.CY↗

arXiv2026

CiteAudit: You Cited It, But Did You Read It? A Benchmark for Verifying Scientific References in the LLM Era

Scientific research relies on citation integrity, yet large language models (LLMs) have introduced a critical risk: fabricated references that appear plausible but correspond to no real publications. As manual verification becomes infeasible and existing automated tools remain fragile, we introduce CiteAudit, a comprehensive benchmark and detection framework for hallucinated citations. We design a multi-agent verification pipeline that decomposes citation checking into metadata extraction, memory lookup, web-based retrieval, and final judgment. To evaluate this, we construct a large-scale, human-validated dataset spanning diverse domains and hallucination types. Experiments demonstrate that our framework achieves superior verification performance over state-of-the-art LLMs and commercial baselines. Our work provides the necessary infrastructure to audit citations at scale and safeguard the trustworthiness of scholarly discourse. Code is available at https://github.com/shiiiikw/CiteAudit.

cs.CL↗

arXiv2026

KEO: Knowledge Extraction on OMIn via Knowledge Graphs and RAG for Safety-Critical Aviation Maintenance

We present Knowledge Extraction on OMIn (KEO), a domain-specific knowledge extraction and reasoning framework with large language models (LLMs) in safety-critical contexts. Using the Operations and Maintenance Intelligence (OMIn) dataset, we construct a QA benchmark spanning global sensemaking and actionable maintenance tasks. KEO builds a structured Knowledge Graph (KG) and integrates it into a retrieval-augmented generation (RAG) pipeline, enabling more coherent, dataset-wide reasoning than traditional text-chunk RAG. We evaluate locally deployable LLMs (Gemma-3, Phi-4, Mistral-Nemo) and employ stronger models (GPT-4o, Llama-3.3) as judges. Experiments show that KEO markedly improves global sensemaking by revealing patterns and system-level insights, while text-chunk RAG remains effective for fine-grained procedural tasks requiring localized retrieval. These findings underscore the promise of KG-augmented LLMs for secure, domain-specific QA and their potential in high-stakes reasoning. The code is available at https://github.com/JonathanKarr33/keo.

cs.CL↗

arXiv2026

Dynamic Noise Preference Optimization: Self-Improvement of Large Language Models with Self-Synthetic Data

Although LLMs have achieved significant success, their reliance on large volumes of human-annotated data has limited their potential for further scaling. In this situation, utilizing self-generated synthetic data has become crucial for fine-tuning LLMs without extensive human annotation. However, current methods often fail to ensure consistent improvements across iterations, with performance stagnating after only minimal updates. To overcome these challenges, we introduce Dynamic Noise Preference Optimization (DNPO), which combines dynamic sample labeling for constructing preference pairs with controlled, trainable noise injection during preference optimization. Our approach effectively prevents stagnation and enables continuous improvement. In experiments with Llama-3.2-3B and Zephyr-7B, DNPO consistently outperforms existing methods across multiple benchmarks. Additionally, with Zephyr-7B, DNPO shows a significant improvement in model-generated data quality, with a 29.4% win-loss rate gap compared to the baseline in GPT-4 evaluations.

cs.CL↗

arXiv2026

AI4CAREER: Responsible AI for STEM Career Development at Scale in K-16 Education

Rapid advances in artificial intelligence (AI) are reshaping how students imagine, explore, and prepare for STEM careers across K-16 education. As AI systems increasingly influence feedback, advising, and access to information about opportunities, they are becoming part of the developmental infrastructure that shapes career identity formation and readiness. Yet uncertainty remains about how AI-supported career exploration tools should be designed, governed, and evaluated at scale, particularly across developmental stages and institutional contexts. This half-day workshop convenes researchers, educators, practitioners, and policymakers to examine responsible AI for STEM career development. We focus on four themes: (1) how AI reshapes definitions and assessment of STEM career readiness; (2) appropriate roles and boundaries for AI in career decision-making; (3) developmental alignment of AI supports across the K-16 continuum; and (4) equity-related design considerations that prevent the reproduction of structural disparities. Through lightning talks, structured group activities, and cross-sector dialogue, participants will surface design tensions, articulate governance principles, and identify research gaps. The workshop aims to advance shared language and actionable frameworks for responsible, developmentally grounded AI use in STEM career learning at scale.

cs.CY↗

arXiv2026

AgentDrug: Utilizing Large Language Models in An Agentic Workflow for Zero-Shot Molecular Editing

Molecular editing-modifying a given molecule to improve desired properties-is a fundamental task in drug discovery. While LLMs hold the potential to solve this task using natural language to drive the editing, straightforward prompting achieves limited accuracy. In this work, we propose AgentDrug, an agentic workflow that leverages LLMs in a structured refinement process to achieve significantly higher accuracy. AgentDrug defines a nested refinement loop: the inner loop uses feedback from cheminformatics toolkits to validate molecular structures, while the outer loop guides the LLM with generic feedback and a gradient-based objective to steer the molecule toward property improvement. We evaluate AgentDrug on benchmarks with both single- and multi-property editing under loose and strict thresholds. Results demonstrate significant performance gains over previous methods. With Qwen-2.5-3B, AgentDrug improves accuracy by 20.7% (loose) and 16.8% (strict) on six single-property tasks, and by 7.0% and 5.3% on eight multi-property tasks. With larger model Qwen-2.5-7B, AgentDrug further improves accuracy on 6 single-property objectives by 28.9% (loose) and 29.0% (strict), and on 8 multi-property objectives by 14.9% (loose) and 13.2% (strict).

cs.LG↗

arXiv2026

Building Scaffolding Dialogue Data with LLM-Simulated Novices

High-quality, multi-turn instructional dialogues between novices and experts are essential for developing AI systems that support teaching, learning, and decision-making. These dialogues often involve scaffolding -- the process by which an expert supports a novice's thinking through questions, feedback, and step-by-step guidance. However, such data are scarce due to privacy concerns in recording and the vulnerability inherent in help-seeking. We present SimInstruct, a scalable, expert-in-the-loop tool for collecting scaffolding dialogues. Using teaching development coaching as an example domain, SimInstruct simulates novice instructors via LLMs, varying their teaching challenges and LLM's persona traits, while human experts provide multi-turn feedback, reasoning, and instructional support. This design enables the creation of realistic, pedagogically rich dialogues without requiring real novice participants. Our results reveal that persona traits, such as extroversion and introversion, meaningfully influence how experts engage. Compared to real mentoring recordings, SimInstruct dialogues demonstrate comparable pedagogical relevance and cognitive depth. Experts also reported the process as engaging and reflective, improving both data quality and their own professional insight. We further fine-tuned a LLaMA model to be an expert model using the augmented dataset, which outperformed GPT-4o in instructional quality. Our analysis highlights GPT-4o's limitations in weak reflective questioning, overuse of generic praise, a condescending tone, and a tendency to overwhelm novices with excessive suggestions.

cs.AI↗

arXiv2026

MolX: Enhancing Large Language Models for Molecular Understanding With A Multi-Modal Extension

Large Language Models (LLMs) with their strong task-handling capabilities have shown remarkable advancements across a spectrum of fields, moving beyond natural language understanding. However, their proficiency within the chemistry domain remains restricted, especially in solving molecule-related tasks. This challenge is attributed to their inherent limitations in comprehending molecules using only common textual representations, i.e. SMILES strings. In this study, we seek to enhance the ability of LLMs to comprehend molecules by equipping them with a multi-modal external module, termed MolX. Instead of directly using SMILES strings to represent a molecule, we utilize specific encoders to extract fine-grained features from both SMILES string and 2D molecular graph representations for feeding into an LLM. A hand-crafted molecular fingerprint is incorporated to leverage its embedded domain knowledge. To establish an alignment between MolX and the LLM's textual input space, the model in which the LLM is frozen, is pre-trained with a strategy including a diverse set of tasks. Experimental evaluations show that our proposed method outperforms baselines across downstream molecule-related tasks ranging from molecule-to-text translation to molecular property prediction, with and without fine-tuning the LLM, while only introducing a small number of trainable parameters-0.53% and 0.82%, respectively.

cs.CV↗

arXiv2026

Automated Benchmark Generation from Domain Guidelines Informed by Bloom's Taxonomy

Open-ended question answering (QA) evaluates a model's ability to perform contextualized reasoning beyond factual recall. This challenge is especially acute in practice-based domains, where knowledge is procedural and grounded in professional judgment, while most existing LLM benchmarks depend on pre-existing human exam datasets that are often unavailable in such settings. We introduce a framework for automated benchmark generation from expert-authored guidelines informed by Bloom's Taxonomy. It converts expert practices into implicit violation-based scenarios and expands them into auto-graded multiple-choice questions (MCQs) and multi-turn dialogues across four cognitive levels, enabling deterministic, reproducible, and scalable evaluation. Applied to three applied domains: teaching, dietetics, and caregiving, we find differences between model and human-like reasoning: LLMs sometimes perform relatively better on higher-order reasoning (Analyze) but fail more frequently on lower-level items (Remember). We produce large-scale, psychometrically informed benchmarks that surface these non-intuitive model behaviors and enable evaluation of contextualized reasoning in real-world settings.

cs.CL↗

arXiv2026

Geometry of Knowledge Allows Extending Diversity Boundaries of Large Language Models

Starting from the hypothesis that knowledge in semantic space is organized along structured manifolds, we argue that this geometric structure renders the space explorable. By traversing it and using the resulting continuous representations to condition an LLM's generation distribution, we can systematically expand the model's reachable semantic range. We introduce a framework that requires no modification of LLM parameters and operationalizes this idea by constructing a conditioning distribution from a small set of diverse anchor generations. This distribution conditions LLM's generation via an xRAG-style projector. Our experiments demonstrate that this manifold-based conditioning substantially increases generative diversity, with direct benefits for enhancing divergent thinking, a core facet of creativity, in language models.

cs.AI↗

arXiv2025

From Verification Burden to Trusted Collaboration: Design Goals for LLM-Assisted Literature Reviews

Large Language Models (LLMs) are increasingly embedded in academic writing practices. Although numerous studies have explored how researchers employ these tools for scientific writing, their concrete implementation, limitations, and design challenges within the literature review process remain underexplored. In this paper, we report a user study with researchers across multiple disciplines to characterize current practices, benefits, and \textit{pain points} in using LLMs to investigate related work. We identified three recurring gaps: (i) lack of trust in outputs, (ii) persistent verification burden, and (iii) requiring multiple tools. This motivates our proposal of six design goals and a high-level framework that operationalizes them through improved related papers visualization, verification at every step, and human-feedback alignment with generation-guided explanations. Overall, by grounding our work in the practical, day-to-day needs of researchers, we designed a framework that addresses these limitations and models real-world LLM-assisted writing, advancing trust through verifiable actions and fostering practical collaboration between researchers and AI systems.

cs.HC↗

arXiv2025

LLMs4All: A Review of Large Language Models Across Academic Disciplines

Cutting-edge Artificial Intelligence (AI) techniques keep reshaping our view of the world. For example, Large Language Models (LLMs) based applications such as ChatGPT have shown the capability of generating human-like conversation on extensive topics. Due to the impressive performance on a variety of language-related tasks (e.g., open-domain question answering, translation, and document summarization), one can envision the far-reaching impacts that can be brought by the LLMs with broader real-world applications (e.g., customer service, education and accessibility, and scientific discovery). Inspired by their success, this paper will offer an overview of state-of-the-art LLMs and their integration into a wide range of academic disciplines, including: (1) arts, letters, and law (e.g., history, philosophy, political science, arts and architecture, law), (2) economics and business (e.g., finance, economics, accounting, marketing), and (3) science and engineering (e.g., mathematics, physics and mechanical engineering, chemistry and chemical engineering, life sciences and bioengineering, earth sciences and civil engineering, computer science and electrical engineering). Integrating humanity and technology, in this paper, we will explore how LLMs are shaping research and practice in these fields, while also discussing key limitations, open challenges, and future directions in the era of generative AI. The review of how LLMs are engaged across disciplines-along with key observations and insights-can help researchers and practitioners interested in exploiting LLMs to advance their works in diverse real-world applications.

cs.CL↗

arXiv2025

ReactionTeam: Teaming Experts for Divergent Thinking Beyond Typical Reaction Patterns

Reaction prediction, a critical task in synthetic chemistry, is to predict the outcome of a reaction based on given reactants. Generative models like Transformer have typically been employed to predict the reaction product. However, these likelihood-maximization models overlooked the inherent stochastic nature of chemical reactions, such as the multiple ways electrons can be redistributed among atoms during the reaction process. In scenarios where similar reactants could follow different electron redistribution patterns, these models typically predict the most common outcomes, neglecting less frequent but potentially crucial reaction patterns. These overlooked patterns, though rare, can lead to innovative methods for designing synthetic routes and significantly advance synthesis techniques. To address these limitations, we build a team of expert models to capture diverse plausible reaction outcomes for the same reactants, mimicking the divergent thinking of chemists. The proposed framework, ReactionTeam, is composed of specialized expert models, each trained to capture a distinct type of electron redistribution pattern in reaction, and a ranking expert that evaluates and orders the generated predictions. Experimental results across two widely used datasets and different data settings demonstrate that our proposed method achieves significantly better performance compared to existing state-of-the-art approaches.

cs.LG↗

arXiv2025

The Reasoning Boundary Paradox: How Reinforcement Learning Constrains Language Models

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a key method for improving Large Language Models' reasoning capabilities, yet recent evidence suggests it may paradoxically shrink the reasoning boundary rather than expand it. This paper investigates the shrinkage issue of RLVR by analyzing its learning dynamics and reveals two critical phenomena that explain this failure. First, we expose negative interference in RLVR, where learning to solve certain training problems actively reduces the likelihood of correct solutions for others, leading to the decline of Pass@$k$ performance, or the probability of generating a correct solution within $k$ attempts. Second, we uncover the winner-take-all phenomenon: RLVR disproportionately reinforces problems with high likelihood, correct solutions, under the base model, while suppressing other initially low-likelihood ones. Through extensive theoretical and empirical analysis on multiple mathematical reasoning benchmarks, we show that this effect arises from the inherent on-policy sampling in standard RL objectives, causing the model to converge toward narrow solution strategies. Based on these insights, we propose a simple yet effective data curation algorithm that focuses RLVR learning on low-likelihood problems, achieving notable improvement in Pass@$k$ performance. Our code is available at https://github.com/mail-research/SELF-llm-interference.

cs.AI↗

arXiv2025

Exploring Conversational Design Choices in LLMs for Pedagogical Purposes: Socratic and Narrative Approaches for Improving Instructor's Teaching Practice

Large language models (LLMs) typically generate direct answers, yet they are increasingly used as learning tools. Studying instructors' usage is critical, given their role in teaching and guiding AI adoption in education. We designed and evaluated TeaPT, an LLM for pedagogical purposes that supports instructors' professional development through two conversational approaches: a Socratic approach that uses guided questioning to foster reflection, and a Narrative approach that offers elaborated suggestions to extend externalized cognition. In a mixed-method study with 41 higher-education instructors, the Socratic version elicited greater engagement, while the Narrative version was preferred for actionable guidance. Subgroup analyses further revealed that less-experienced, AI-optimistic instructors favored the Socratic version, whereas more-experienced, AI-cautious instructors preferred the Narrative version. We contribute design implications for LLMs for pedagogical purposes, showing how adaptive conversational approaches can support instructors with varied profiles while highlighting how AI attitudes and experience shape interaction and learning.

cs.HC↗

arXiv2025

Breaking Language Barriers: Equitable Performance in Multilingual Language Models

Cutting-edge LLMs have emerged as powerful tools for multilingual communication and understanding. However, LLMs perform worse in Common Sense Reasoning (CSR) tasks when prompted in low-resource languages (LRLs) like Hindi or Swahili compared to high-resource languages (HRLs) like English. Equalizing this inconsistent access to quality LLM outputs is crucial to ensure fairness for speakers of LRLs and across diverse linguistic communities. In this paper, we propose an approach to bridge this gap in LLM performance. Our approach involves fine-tuning an LLM on synthetic code-switched text generated using controlled language-mixing methods. We empirically demonstrate that fine-tuning LLMs on synthetic code-switched datasets leads to substantial improvements in LRL model performance while preserving or enhancing performance in HRLs. Additionally, we present a new dataset of synthetic code-switched text derived from the CommonSenseQA dataset, featuring three distinct language ratio configurations.

cs.CL↗

arXiv2025

LatentPrompt: Optimizing Promts in Latent Space

Recent advances have shown that optimizing prompts for Large Language Models (LLMs) can significantly improve task performance, yet many optimization techniques rely on heuristics or manual exploration. We present LatentPrompt, a model-agnostic framework for prompt optimization that leverages latent semantic space to automatically generate, evaluate, and refine candidate prompts without requiring hand-crafted rules. Beginning with a set of seed prompts, our method embeds them in a continuous latent space and systematically explores this space to identify prompts that maximize task-specific performance. In a proof-of-concept study on the Financial PhraseBank sentiment classification benchmark, LatentPrompt increased classification accuracy by approximately 3 percent after a single optimization cycle. The framework is broadly applicable, requiring only black-box access to an LLM and an automatic evaluation metric, making it suitable for diverse domains and tasks.

cs.CL↗

arXiv2025

Node Duplication Improves Cold-start Link Prediction

Graph Neural Networks (GNNs) are prominent in graph machine learning and have shown state-of-the-art performance in Link Prediction (LP) tasks. Nonetheless, recent studies show that GNNs struggle to produce good results on low-degree nodes despite their overall strong performance. In practical applications of LP, like recommendation systems, improving performance on low-degree nodes is critical, as it amounts to tackling the cold-start problem of improving the experiences of users with few observed interactions. In this paper, we investigate improving GNNs' LP performance on low-degree nodes while preserving their performance on high-degree nodes and propose a simple yet surprisingly effective augmentation technique called NodeDup. Specifically, NodeDup duplicates low-degree nodes and creates links between nodes and their own duplicates before following the standard supervised LP training scheme. By leveraging a ''multi-view'' perspective for low-degree nodes, NodeDup shows significant LP performance improvements on low-degree nodes without compromising any performance on high-degree nodes. Additionally, as a plug-and-play augmentation module, NodeDup can be easily applied to existing GNNs with very light computational cost. Extensive experiments show that NodeDup achieves 38.49%, 13.34%, and 6.76% improvements on isolated, low-degree, and warm nodes, respectively, on average across all datasets compared to GNNs and state-of-the-art cold-start methods.

cs.LG↗