no code implementations • 28 Jan 2025 • Zheng Zheng, Xinyi Ni, Pengyu Hong
A Retrieval-Augmented Generation (RAG) model powered by a large language model (LLM) provides a faster and more cost-effective solution for adapting to new data and knowledge.
no code implementations • 28 Jan 2025 • Xinyi Ni, Qiuyang Wang, Yukun Zhang, Pengyu Hong
ToolFactory exhibits significant potential for facilitating the seamless integration of scientific REST APIs into AI workflows.
1 code implementation • 20 Nov 2024 • Yoel Zimmermann, Adib Bazgir, Zartashia Afzal, Fariha Agbere, Qianxiang Ai, Nawaf Alampara, Alexander Al-Feghali, Mehrad Ansari, Dmytro Antypov, Amro Aswad, Jiaru Bai, Viktoriia Baibakova, Devi Dutta Biswajeet, Erik Bitzek, Joshua D. Bocarsly, Anna Borisova, Andres M Bran, L. Catherine Brinson, Marcel Moran Calderon, Alessandro Canalicchio, Victor Chen, Yuan Chiang, Defne Circi, Benjamin Charmes, Vikrant Chaudhary, Zizhang Chen, Min-Hsueh Chiu, Judith Clymo, Kedar Dabhadkar, Nathan Daelman, Archit Datar, Wibe A. de Jong, Matthew L. Evans, Maryam Ghazizade Fard, Giuseppe Fisicaro, Abhijeet Sadashiv Gangan, Janine George, Jose D. Cojal Gonzalez, Michael Götte, Ankur K. Gupta, Hassan Harb, Pengyu Hong, Abdelrahman Ibrahim, Ahmed Ilyas, Alishba Imran, Kevin Ishimwe, Ramsey Issa, Kevin Maik Jablonka, Colin Jones, Tyler R. Josephson, Greg Juhasz, Sarthak Kapoor, Rongda Kang, Ghazal Khalighinejad, Sartaaj Khan, Sascha Klawohn, Suneel Kuman, Alvin Noe Ladines, Sarom Leang, Magdalena Lederbauer, Sheng-Lun, Liao, Hao liu, Xuefeng Liu, Stanley Lo, Sandeep Madireddy, Piyush Ranjan Maharana, Shagun Maheshwari, Soroush Mahjoubi, José A. Márquez, Rob Mills, Trupti Mohanty, Bernadette Mohr, Seyed Mohamad Moosavi, Alexander Moßhammer, Amirhossein D. Naghdi, Aakash Naik, Oleksandr Narykov, Hampus Näsström, Xuan Vu Nguyen, Xinyi Ni, Dana O'Connor, Teslim Olayiwola, Federico Ottomano, Aleyna Beste Ozhan, Sebastian Pagel, Chiku Parida, Jaehee Park, Vraj Patel, Elena Patyukova, Martin Hoffmann Petersen, Luis Pinto, José M. Pizarro, Dieter Plessers, Tapashree Pradhan, Utkarsh Pratiush, Charishma Puli, Andrew Qin, Mahyar Rajabi, Francesco Ricci, Elliot Risch, Martiño Ríos-García, Aritra Roy, Tehseen Rug, Hasan M Sayeed, Markus Scheidgen, Mara Schilling-Wilhelmi, Marcel Schloz, Fabian Schöppach, Julia Schumann, Philippe Schwaller, Marcus Schwarting, Samiha Sharlin, Kevin Shen, Jiale Shi, Pradip Si, Jennifer D'Souza, Taylor Sparks, Suraj Sudhakar, Leopold Talirz, Dandan Tang, Olga Taran, Carla Terboven, Mark Tropin, Anastasiia Tsymbal, Katharina Ueltzen, Pablo Andres Unzueta, Archit Vasan, Tirtha Vinchurkar, Trung Vo, Gabriel Vogel, Christoph Völker, Jan Weinreich, Faradawn Yang, Mohd Zaki, Chi Zhang, Sylvester Zhang, Weijie Zhang, Ruijie Zhu, Shang Zhu, Jan Janssen, Calvin Li, Ian Foster, Ben Blaiszik
Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions.
no code implementations • 18 Nov 2024 • Nicole Meng, Caleb Manicke, David Chen, Yingjie Lao, Caiwen Ding, Pengyu Hong, Kaleel Mahmood
For generating adversarial examples, decision based black-box attacks are one of the most practical techniques as they only require query access to the model.
no code implementations • 5 Nov 2024 • Zizhang Chen, Peizhao Li, Xiaomeng Dong, Pengyu Hong
To address this, we consider the uncertainty quantification of LMs for EHR tasks in white- and black-box settings.
no code implementations • 7 Aug 2024 • Zizhang Chen, Pengyu Hong, Sandeep Madireddy
Uncertainty quantification enables users to assess the reliability of responses generated by large language models (LLMs).
1 code implementation • 23 Apr 2024 • Phu N. Tran, Sattvic Ray, Linnea Lemma, Yunrui Li, Reef Sweeney, Aparna Baskaran, Zvonimir Dogic, Pengyu Hong, Michael F. Hagan
Deep learning-based optical flow (DLOF) extracts features in adjacent video frames with deep convolutional neural networks.
1 code implementation • 17 Mar 2024 • Yunrui Li, Hao Xu, Ambrish Kumar, Duosheng Wang, Christian Heiss, Parastoo Azadi, Pengyu Hong
Nuclear Magnetic Resonance (NMR) spectroscopy is essential for revealing molecular structure, electronic environment, and dynamics.
no code implementations • 31 Jan 2024 • Hao Xu, Zhengyang Zhou, Pengyu Hong
Additionally, previous multi-similarity approaches require the specification of positive and negative pairs to attribute distinct predefined weights to different relative similarities, which can introduce potential bias.
no code implementations • 28 Nov 2023 • Zizhang Chen, Ryan Paul Badman, Lachele Foley, Robert Woods, Pengyu Hong
This under-exploration can be primarily attributed to the limited availability of comprehensive and well-curated carbohydrate-specific datasets and a lack of Machine learning (ML) pipelines specifically tailored to meet the unique problems presented by carbohydrate data.
no code implementations • 23 Nov 2023 • Hao Xu, Zhengyang Zhou, Pengyu Hong
Nuclear magnetic resonance (NMR) spectroscopy plays an essential role in deciphering molecular structure and dynamic behaviors.
1 code implementation • 11 Nov 2023 • Hao Xu, Yifei Wang, Yunrui Li, Lin Liu, Pengyu Hong
ACML harnesses the power of effective asymmetric contrastive learning to seamlessly transfer information from various chemical modalities to molecular graph representations.
1 code implementation • 29 May 2023 • Yifei Wang, Zhengyang Zhou, Liqin Wang, John Laurentiev, Peter Hou, Li Zhou, Pengyu Hong
When using machine learning to aid decision-making, it is critical to ensure that an algorithmic decision is fair and does not discriminate against specific individuals/groups, particularly those from underprivileged populations.
no code implementations • 14 Oct 2022 • Zizhang Chen, Peizhao Li, Hongfu Liu, Pengyu Hong
To fill this gap, we started with the simple graph convolution (SGC) model that operates on an attributed graph and formulated an influence function to approximate the changes in model parameters when a node or an edge is removed from an attributed graph.
1 code implementation • 9 Aug 2022 • Yifei Wang, Shiyang Chen, Guobin Chen, Ethan Shurberg, Hang Liu, Pengyu Hong
MCM builds a motif vocabulary in an unsupervised way and deploys a novel motif convolution operation to extract the local structural context of individual nodes, which is then used to learn higher-level node representations via multilayer perceptron and/or message passing in graph neural networks.
no code implementations • 15 Apr 2022 • Tong Yang, Yifei Wang, Long Sha, Jan Engelbrecht, Pengyu Hong
As far as we know, by applying abstract algebra in statistical learning, this work develops the first formal language for general knowledge graphs, and also sheds light on the problem of neural-symbolic integration from an algebraic perspective.
no code implementations • 12 Oct 2021 • Justin Li, Dakang Zhang, Yifei Wang, Christopher Ye, Hao Xu, Pengyu Hong
Since late 1960s, there have been numerous successes in the exciting new frontier of asymmetric catalysis.
no code implementations • 1 Jan 2021 • Han Yue, Pengyu Hong, Hongfu Liu
In this paper, we propose a Graph-Graph Similarity Network to tackle the graph classification problem by constructing a SuperGraph through learning the relationships among graphs.
1 code implementation • ICLR 2021 • Peizhao Li, Yifei Wang, Han Zhao, Pengyu Hong, Hongfu Liu
Disparate impact has raised serious concerns in machine learning applications and its societal impacts.
no code implementations • 13 Aug 2020 • Tong Yang, Long Sha, Pengyu Hong
While nowadays most gradient-based optimization methods focus on exploring the high-dimensional geometric features, the random error accumulated in a stochastic version of any algorithm implementation has not been stressed yet.
no code implementations • 9 Aug 2020 • Tong Yang, Long Sha, Justin Li, Pengyu Hong
In this work, we developed a deep learning model-based approach to forecast the spreading trend of SARS-CoV-2 in the United States.
no code implementations • 22 May 2020 • Tong Yang, Long Sha, Pengyu Hong
We demonstrated the existence of a group algebraic structure hidden in relational knowledge embedding problems, which suggests that a group-based embedding framework is essential for designing embedding models.
no code implementations • ICLR 2020 • Xin Xing, Long Sha, Pengyu Hong, Zuofeng Shang, Jun S. Liu
Deep neural networks (DNNs) can be huge in size, requiring a considerable a mount of energy and computational resources to operate, which limits their applications in numerous scenarios.
no code implementations • 25 Sep 2019 • Tong Yang, Long Sha, Pengyu Hong
We have rigorously proved the existence of a group algebraic structure hidden in relational knowledge embedding problems, which suggests that a group-based embedding framework is essential for model design.
no code implementations • ICLR 2019 • Ruoshi Liu, Michael M. Norton, Seth Fraden, Pengyu Hong
Active matter consists of active agents which transform energy extracted from surroundings into momentum, producing a variety of collective phenomena.
no code implementations • ICLR 2019 • Long Sha, Jonathan Schwarcz, Pengyu Hong
This modification produces statistically significant improvements in comparison with traditional ANN nodes in the context of Convolutional Neural Networks and Long Short-Term Memory networks.
no code implementations • NeurIPS 2018 • Zhi-Hao Zheng, Pengyu Hong
Our approach tries to capture the intrinsic properties of a DNN classifier and uses them to detect adversarial inputs.
2 code implementations • 5 Oct 2018 • Ruzhang Zhao, Pengyu Hong, Jun S. Liu
Relief based algorithms have often been claimed to uncover feature interactions.