77.3CHEM-PHMay 29
MLIPilot: LLM-Driven Auto-Research for Machine-Learned Interatomic PotentialsEtinosa Osaro, Santosh Adhikari, Stamatia Zavitsanou et al.
Constructing production-quality machine-learned interatomic potentials (MLIPs) requires balancing accuracy, dynamical stability, and computational throughput under constraints that are not captured by a single training loss. We introduce MLIPilot, an auto-research framework in which tool-calling large language models propose hypotheses, edit MLIP training code, launch HPC jobs, and accept or revert changes using a fixed, physically constrained scorecard. We evaluate MLIPilot on MACE potential optimization using both commercial and open-weight LLM agents, including GPT-5.5, GPT-4.1, Mistral-24B, and Qwen3-32B. The benchmarks span molecular and periodic settings: a QM7-derived dataset for which we generated B3LYP/6-31G(d) energies and forces, and a Cu EMT dataset with periodic copper supercells labeled by ASE's Effective Medium Theory calculator. Across these benchmarks, the strongest agents move initially constraint-violating baselines to accepted models by discovering useful training strategies, including output normalization, loss-function changes, progressive training schedules, and model-capacity adjustments. These results suggest that LLM agents can serve as autonomous operators for scientific machine-learning workflows when their search is constrained by domain-specific validation criteria, shifting part of MLIP development from manual trial-and-error toward auditable, automated experimentation.
CYJun 30, 2023
Performance of ChatGPT on USMLE: Unlocking the Potential of Large Language Models for AI-Assisted Medical EducationPrabin Sharma, Kisan Thapa, Dikshya Thapa et al.
Artificial intelligence is gaining traction in more ways than ever before. The popularity of language models and AI-based businesses has soared since ChatGPT was made available to the general public via OpenAI. It is becoming increasingly common for people to use ChatGPT both professionally and personally. Considering the widespread use of ChatGPT and the reliance people place on it, this study determined how reliable ChatGPT can be for answering complex medical and clinical questions. Harvard University gross anatomy along with the United States Medical Licensing Examination (USMLE) questionnaire were used to accomplish the objective. The paper evaluated the obtained results using a 2-way ANOVA and posthoc analysis. Both showed systematic covariation between format and prompt. Furthermore, the physician adjudicators independently rated the outcome's accuracy, concordance, and insight. As a result of the analysis, ChatGPT-generated answers were found to be more context-oriented and represented a better model for deductive reasoning than regular Google search results. Furthermore, ChatGPT obtained 58.8% on logical questions and 60% on ethical questions. This means that the ChatGPT is approaching the passing range for logical questions and has crossed the threshold for ethical questions. The paper believes ChatGPT and other language learning models can be invaluable tools for e-learners; however, the study suggests that there is still room to improve their accuracy. In order to improve ChatGPT's performance in the future, further research is needed to better understand how it can answer different types of questions.
CVOct 6, 2023
VTON-IT: Virtual Try-On using Image TranslationSantosh Adhikari, Bishnu Bhusal, Prashant Ghimire et al.
Virtual Try-On (trying clothes virtually) is a promising application of the Generative Adversarial Network (GAN). However, it is an arduous task to transfer the desired clothing item onto the corresponding regions of a human body because of varying body size, pose, and occlusions like hair and overlapped clothes. In this paper, we try to produce photo-realistic translated images through semantic segmentation and a generative adversarial architecture-based image translation network. We present a novel image-based Virtual Try-On application VTON-IT that takes an RGB image, segments desired body part, and overlays target cloth over the segmented body region. Most state-of-the-art GAN-based Virtual Try-On applications produce unaligned pixelated synthesis images on real-life test images. However, our approach generates high-resolution natural images with detailed textures on such variant images.