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Diyana Muhammed

Publications and source records attributed to Diyana Muhammed.

3 recordsLinked to original sources

MLReplicate: Benchmarking Autonomous Research Systems for Machine Learning Reproducibility

Autonomous research systems capable of generating complete scientific manuscripts have advanced rapidly, yet robust and realistic evaluation frameworks have failed to keep pace. To bridge this gap, we introduce MLReplicate, an end-to-end benchmark evaluating autonomous research systems on machine learning reproducibility. The benchmark was constructed from ICML 2025 outstanding papers reformulated into standardized input specifications and evaluated across 6 state-of-the-art research systems: AI SCIENTIST-V1, AI SCIENTIST-V2, AGENT LABORATORY, CYCLERESEARCHER, AI RESEARCHER, and TINY SCIENTIST, yielding 45 generated manuscripts, with 3 failed experiments. Outputs are assessed using a dual-protocol approach that combines automated conference-style review and structured expert human evaluation, while tracking computational cost, runtime, and the amount of required human intervention. The automated conference-style review accepted 10 out of 37 valid submissions. An additional 8 submissions were desk-rejected before review for failing to meet the minimum page threshold. In contrast to automated reviews, human reviewers consistently identified methodological flaws, hallucinated experimental results, and reproducibility failures across all systems, and 59% of accepted automated reviews contained fabricated or unsupported claims. We further find that neither token budget nor computational cost predicts output quality: the cheapest system outperforms the most resource-intensive system in human evaluation, despite a 38-fold difference in input tokens. We thus demonstrate that autonomous research workflow design matters more than the scale of compute. MLReplicate exposes a substantial gap between current autonomous research systems and genuine scientific rigor, and establishes a practical, extensible evaluation framework for systematic progress toward trustworthy AI-driven scientific discovery.

cs.LG

Iterative Hypothesis Generation for Scientific Discovery with Monte Carlo Nash Equilibrium Self-Refining Trees

Scientific hypothesis generation is a fundamentally challenging task in research, requiring the synthesis of novel and empirically grounded insights. Traditional approaches rely on human intuition and domain expertise, while purely large language model (LLM) based methods often struggle to produce hypotheses that are both innovative and reliable. To address these limitations, we propose the Monte Carlo Nash Equilibrium Self-Refine Tree (MC-NEST), a novel framework that integrates Monte Carlo Tree Search with Nash Equilibrium strategies to iteratively refine and validate hypotheses. MC-NEST dynamically balances exploration and exploitation through adaptive sampling strategies, which prioritize high-potential hypotheses while maintaining diversity in the search space. We demonstrate the effectiveness of MC-NEST through comprehensive experiments across multiple domains, including biomedicine, social science, and computer science. MC-NEST achieves average scores of 2.65, 2.74, and 2.80 (on a 1-3 scale) for novelty, clarity, significance, and verifiability metrics on the social science, computer science, and biomedicine datasets, respectively, outperforming state-of-the-art prompt-based methods, which achieve 2.36, 2.51, and 2.52 on the same datasets. These results underscore MC-NEST's ability to generate high-quality, empirically grounded hypotheses across diverse domains. Furthermore, MC-NEST facilitates structured human-AI collaboration, ensuring that LLMs augment human creativity rather than replace it. By addressing key challenges such as iterative refinement and the exploration-exploitation balance, MC-NEST sets a new benchmark in automated hypothesis generation. Additionally, MC-NEST's ethical design enables responsible AI use, emphasizing transparency and human supervision in hypothesis generation.

cs.CL

SelfCheck-Eval: A Multi-Module Framework for Zero-Resource Hallucination Detection in Large Language Models

Large Language Models (LLMs) have demonstrated remarkable capabilities across diverse applications, from open-domain question answering to scientific writing, medical decision support, and legal analysis. However, their tendency to generate incorrect or fabricated content, commonly known as hallucinations, represents a critical barrier to reliable deployment in high-stakes domains. Current hallucination detection benchmarks are limited in scope, focusing primarily on general-knowledge domains while neglecting specialised fields where accuracy is paramount. To address this gap, we introduce the AIME Math Hallucination dataset, the first comprehensive benchmark specifically designed for evaluating mathematical reasoning hallucinations. Additionally, we propose SelfCheck-Eval, a LLM-agnostic, black-box hallucination detection framework applicable to both open and closed-source LLMs. Our approach leverages a novel multi-module architecture that integrates three independent detection strategies: the Semantic module, the Specialised Detection module, and the Contextual Consistency module. Our evaluation reveals systematic performance disparities across domains: existing methods perform well on biographical content but struggle significantly with mathematical reasoning, a challenge that persists across NLI fine-tuning, preference learning, and process supervision approaches. These findings highlight the fundamental limitations of current detection methods in mathematical domains and underscore the critical need for specialised, black-box compatible approaches to ensure reliable LLM deployment.

cs.CL