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Large Language Models for Education and Research: An Empirical and User Survey-based Analysis

Rahman, Md Mostafizer, Shiplu, Ariful Islam, Amin, Md Faizul Ibne, Watanobe, Yutaka, Peng, Lu

arXiv.org Artificial Intelligence

Pretrained Large Language Models (LLMs) have achieved remarkable success across diverse domains, with education and research emerging as particularly impactful areas. Among current state-of-the-art LLMs, ChatGPT and DeepSeek exhibit strong capabilities in mathematics, science, medicine, literature, and programming. In this study, we present a comprehensive evaluation of these two LLMs through background technology analysis, empirical experiments, and a real-world user survey. The evaluation explores trade-offs among model accuracy, computational efficiency, and user experience in educational and research affairs. We benchmarked these LLMs performance in text generation, programming, and specialized problem-solving. Experimental results show that ChatGPT excels in general language understanding and text generation, while DeepSeek demonstrates superior performance in programming tasks due to its efficiency-focused design. Moreover, both models deliver medically accurate diagnostic outputs and effectively solve complex mathematical problems. Complementing these quantitative findings, a survey of students, educators, and researchers highlights the practical benefits and limitations of these models, offering deeper insights into their role in advancing education and research.


Symmetry-Constrained Generation of Diverse Low-Bandgap Molecules with Monte Carlo Tree Search

Subramanian, Akshay, Damewood, James, Nam, Juno, Greenman, Kevin P., Singhal, Avni P., Gómez-Bombarelli, Rafael

arXiv.org Artificial Intelligence

Organic optoelectronic materials are a promising avenue for next-generation electronic devices due to their solution processability, mechanical flexibility, and tunable electronic properties. In particular, near-infrared (NIR) sensitive molecules have unique applications in night-vision equipment and biomedical imaging. Molecular engineering has played a crucial role in developing non-fullerene acceptors (NFAs) such as the Y-series molecules, which have significantly improved the power conversion efficiency (PCE) of solar cells and enhanced spectral coverage in the NIR region. However, systematically designing molecules with targeted optoelectronic properties while ensuring synthetic accessibility remains a challenge. To address this, we leverage structural priors from domain-focused, patent-mined datasets of organic electronic molecules using a symmetry-aware fragment decomposition algorithm and a fragment-constrained Monte Carlo Tree Search (MCTS) generator. Our approach generates candidates that retain symmetry constraints from the patent dataset, while also exhibiting red-shifted absorption, as validated by TD-DFT calculations.


Quality-Diversity through AI Feedback

Bradley, Herbie, Dai, Andrew, Teufel, Hannah, Zhang, Jenny, Oostermeijer, Koen, Bellagente, Marco, Clune, Jeff, Stanley, Kenneth, Schott, Grégory, Lehman, Joel

arXiv.org Artificial Intelligence

In many text-generation problems, users may prefer not only a single response, but a diverse range of high-quality outputs from which to choose. Quality-diversity (QD) search algorithms aim at such outcomes, by continually improving and diversifying a population of candidates. However, the applicability of QD to qualitative domains, like creative writing, has been limited by the difficulty of algorithmically specifying measures of quality and diversity. Interestingly, recent developments in language models (LMs) have enabled guiding search through AI feedback, wherein LMs are prompted in natural language to evaluate qualitative aspects of text. Leveraging this development, we introduce Quality-Diversity through AI Feedback (QDAIF), wherein an evolutionary algorithm applies LMs to both generate variation and evaluate the quality and diversity of candidate text. When assessed on creative writing domains, QDAIF covers more of a specified search space with high-quality samples than do non-QD controls. Further, human evaluation of QDAIF-generated creative texts validates reasonable agreement between AI and human evaluation. Our results thus highlight the potential of AI feedback to guide open-ended search for creative and original solutions, providing a recipe that seemingly generalizes to many domains and modalities. In this way, QDAIF is a step towards AI systems that can independently search, diversify, evaluate, and improve, which are among the core skills underlying human society's capacity for innovation.


Efficient physics-informed neural networks using hash encoding

Huang, Xinquan, Alkhalifah, Tariq

arXiv.org Artificial Intelligence

Physics-informed neural networks (PINNs) have attracted a lot of attention in scientific computing as their functional representation of partial differential equation (PDE) solutions offers flexibility and accuracy features. However, their training cost has limited their practical use as a real alternative to classic numerical methods. Thus, we propose to incorporate multi-resolution hash encoding into PINNs to improve the training efficiency, as such encoding offers a locally-aware (at multi resolution) coordinate inputs to the neural network. Borrowed from the neural representation field community (NeRF), we investigate the robustness of calculating the derivatives of such hash encoded neural networks with respect to the input coordinates, which is often needed by the PINN loss terms. We propose to replace the automatic differentiation with finite-difference calculations of the derivatives to address the discontinuous nature of such derivatives. We also share the appropriate ranges for the hash encoding hyperparameters to obtain robust derivatives. We test the proposed method on three problems, including Burgers equation, Helmholtz equation, and Navier-Stokes equation. The proposed method admits about a 10-fold improvement in efficiency over the vanilla PINN implementation.


On solving decision and risk management problems subject to uncertainty

Gutfraind, Alexander

arXiv.org Artificial Intelligence

Uncertainty is a pervasive challenge in decision and risk management and it is usually studied by quantification and modeling. Interestingly, engineers and other decision makers usually manage uncertainty with strategies such as incorporating robustness, or by employing decision heuristics. The focus of this paper is then to develop a systematic understanding of such strategies, determine their range of application, and develop a framework to better employ them. Based on a review of a dataset of 100 decision problems, this paper found that many decision problems have pivotal properties, i.e. properties that enable solution strategies, and finds 14 such properties. Therefore, an analyst can first find these properties in a given problem, and then utilize the strategies they enable. Multi-objective optimization methods could be used to make investment decisions quantitatively. The analytical complexity of decision problems can also be scored by evaluating how many of the pivotal properties are available. Overall, we find that in the light of pivotal properties, complex problems under uncertainty frequently appear surprisingly tractable.