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Perovskite solar cells (PSCs) have rapidly emerged as a leading contender in next-generation photovoltaic technologies, owing to their exceptional power conversion efficiencies and advantageous material properties. Despite these advances,…

Machine Learning · Computer Science 2026-05-19 Xin-De Wang , Zhi-Rui Chen , Peng-Jie Guo , Ze-Feng Gao , Cheng Mu , Zhong-Yi Lu

Perovskite solar cells (PSCs) have been considered as a next-generation disruptive photovoltaic technology, yet their advancement is constrained by the complexity of perovskite recipe with high-dimensional material and process design space.…

Materials Science · Physics 2026-02-06 Penglei Sun , Shuyan Chen , Xiang Liu , Longhan Zhang , Huajie You , Chang Yan , Yongqi Zhang , Xiaowen Chu , Tong-yi Zhang

Machine learning (ML) has been extensively employed in planar perovskite photovoltaics to screen effective organic molecular additives, while encountering predictive biases for novel materials due to small datasets and reliance on…

Machine Learning · Computer Science 2024-12-19 Yang Pu , Zhiyuan Dai , Yifan Zhou , Ning Jia , Hongyue Wang , Yerzhan Mukhametkarimov , Ruihao Chen , Hongqiang Wang , Zhe Liu

Scientific hypothesis generation is central to materials discovery, yet current approaches often emphasize either conceptual (idea-to-data) reasoning or data-driven (data-to-idea) analysis, rarely achieving an effective integration of both.…

Materials Science · Physics 2025-09-24 Kangyu Ji , Tianran Liu , Fang Sheng , Shaun Tan , Moungi Bawendi , Tonio Buonassisi

High-throughput preclinical perturbation screens, where the effects of genetic, chemical, or environmental perturbations are systematically tested on disease models, hold significant promise for machine learning-enhanced drug discovery due…

Perovskite photovoltaics (PV) have achieved rapid development in the past decade in terms of power conversion efficiency of small-area lab-scale devices; however, successful commercialization still requires further development of low-cost,…

Machine Learning · Computer Science 2022-02-08 Zhe Liu , Nicholas Rolston , Austin C. Flick , Thomas W. Colburn , Zekun Ren , Reinhold H. Dauskardt , Tonio Buonassisi

Unstructured sparsity is now natively accelerated by recent GPU kernels and dataflow hardware, shifting the bottleneck from inference execution to the pruning algorithm. State-of-the-art methods for unstructured LLM pruning are layer-wise…

Machine Learning · Computer Science 2026-05-19 Mohammad Mozaffari , Younes Hourri , Mohammad Rastegari , Mahyar Najibi

Rational design of interface passivators for perovskite solar cells is hindered by the entanglement of intrinsic molecular efficacy with extrinsic platform-dependent performance - a confounding factor that obscures true chemical advances.…

Materials Science · Physics 2026-03-04 Jing Zhang , Ziyuan Li , Shan Gao , Zhen Zhu , Jing Wang , Xiangmei Duan

As a pioneer of the third-generation photovoltaic revolution, Perovskite Solar Cells (PSCs) are renowned for their superior optoelectronic performance and cost potential. The development process of PSCs is precise and complex, involving a…

Multiagent Systems · Computer Science 2026-02-17 Yishu Wang , Wei Liu , Yifan Li , Shengxiang Xu , Xujie Yuan , Ran Li , Yuyu Luo , Jia Zhu , Shimin Di , Min-Ling Zhang , Guixiang Li

Diffusion Language Models (dLLMs) have garnered significant attention for their potential in highly parallel processing. The parallel capabilities of existing dLLMs stem from the assumption of conditional independence at high confidence…

Machine Learning · Computer Science 2026-05-13 Haohui Zhang , Zhiye Wang , Xiaoying Gan , Xinbing Wang , Bo Jiang

Large language model (LLM) inference has been a prevalent demand in daily life and industries. The large tensor sizes and computing complexities in LLMs have brought challenges to memory, computing, and databus. This paper proposes a…

Hardware Architecture · Computer Science 2025-09-19 Yimin Wang , Yue Jiet Chong , Xuanyao Fong

Large Language Models (LLMs) are discovered to suffer from accurately retrieving key information. To address this, we propose Mask-Enhanced Autoregressive Prediction (MEAP), a simple yet effective training paradigm that seamlessly…

Computation and Language · Computer Science 2026-03-16 Xialie Zhuang , Zhikai Jia , Jianjin Li , Zhenyu Zhang , Li Shen , Zheng Cao , Shiwei Liu

Accelerating the experimental cycle for new materials development is vital for addressing the grand energy challenges of the 21st century. We fabricate and characterize 75 unique halide perovskite-inspired solution-based thin-film materials…

The discovery of effective molecular modulators is essential for advancing perovskite solar cells (PSCs), but the research process is hindered by the vastness of chemical space and the time-consuming and expensive trial-and-error…

While large language models (LLMs) show impressive decision-making abilities, current methods lack a mechanism for automatic self-improvement from errors during task execution. We propose LEAP, an iterative fine-tuning framework that…

Machine Learning · Computer Science 2024-10-10 Sanjiban Choudhury , Paloma Sodhi

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers

The rapid advancement of perovskite solar cells (PSCs) has led to an exponential growth in research publications, creating an urgent need for efficient knowledge management and reasoning systems in this domain. We present a comprehensive…

Artificial Intelligence · Computer Science 2025-10-13 Xiang Liu , Penglei Sun , Shuyan Chen , Longhan Zhang , Peijie Dong , Huajie You , Yongqi Zhang , Chang Yan , Xiaowen Chu , Tong-yi Zhang

We introduce Large Language Model-Assisted Preference Prediction (LAPP), a novel framework for robot learning that enables efficient, customizable, and expressive behavior acquisition with minimum human effort. Unlike prior approaches that…

Robotics · Computer Science 2025-04-23 Pingcheng Jian , Xiao Wei , Yanbaihui Liu , Samuel A. Moore , Michael M. Zavlanos , Boyuan Chen

Prompt engineering is an iterative procedure often requiring extensive manual effort to formulate suitable instructions for effectively directing large language models (LLMs) in specific tasks. Incorporating few-shot examples is a vital and…

Pruning is an effective method to reduce the memory footprint and computational cost associated with large natural language processing models. However, current pruning algorithms either only focus on one pruning category, e.g., structured…

Computation and Language · Computer Science 2022-05-24 Zhewei Yao , Xiaoxia Wu , Linjian Ma , Sheng Shen , Kurt Keutzer , Michael W. Mahoney , Yuxiong He
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