no code implementations • 3 May 2024 • Tian Xie, Zhiqun Zuo, Mohammad Mahdi Khalili, Xueru Zhang
Machine learning systems have been widely used to make decisions about individuals who may best respond and behave strategically to receive favorable outcomes, e. g., they may genuinely improve the true labels or manipulate observable features directly to game the system without changing labels.
no code implementations • 3 May 2024 • Tian Xie, Xuwei Tan, Xueru Zhang
We also extend the model to settings where 1) agents may be dishonest and game the algorithm into making favorable but erroneous decisions; 2) honest efforts are forgettable and not sufficient to guarantee persistent improvements.
no code implementations • 3 May 2024 • Tian Xie, Xueru Zhang
Existing results on strategic learning have largely focused on the linear setting where agents with linear labeling functions best respond to a (noisy) linear decision policy.
no code implementations • 15 Mar 2024 • Haoyue Tang, Tian Xie, Aosong Feng, Hanyu Wang, Chenyang Zhang, Yang Bai
Solving image inverse problems (e. g., super-resolution and inpainting) requires generating a high fidelity image that matches the given input (the low-resolution image or the masked image).
no code implementations • 18 Jan 2024 • Tian Xie
This study introduces a machine learning algorithm that predicts whether patients with AF should be recommended anticoagulant therapy using 12-lead ECG data.
no code implementations • 6 Dec 2023 • Claudio Zeni, Robert Pinsler, Daniel Zügner, Andrew Fowler, Matthew Horton, Xiang Fu, Sasha Shysheya, Jonathan Crabbé, Lixin Sun, Jake Smith, Bichlien Nguyen, Hannes Schulz, Sarah Lewis, Chin-wei Huang, Ziheng Lu, Yichi Zhou, Han Yang, Hongxia Hao, Jielan Li, Ryota Tomioka, Tian Xie
We further introduce adapter modules to enable fine-tuning towards any given property constraints with a labeled dataset.
1 code implementation • 26 Oct 2023 • Lidiya Murakhovs'ka, Philippe Laban, Tian Xie, Caiming Xiong, Chien-Sheng Wu
Making big purchases requires consumers to research or consult a salesperson to gain domain expertise.
no code implementations • 16 Oct 2023 • Xiang Fu, Tian Xie, Andrew S. Rosen, Tommi Jaakkola, Jake Smith
Metal-organic frameworks (MOFs) are of immense interest in applications such as gas storage and carbon capture due to their exceptional porosity and tunable chemistry.
1 code implementation • 7 Sep 2023 • Erik Nijkamp, Tian Xie, Hiroaki Hayashi, Bo Pang, Congying Xia, Chen Xing, Jesse Vig, Semih Yavuz, Philippe Laban, Ben Krause, Senthil Purushwalkam, Tong Niu, Wojciech Kryściński, Lidiya Murakhovs'ka, Prafulla Kumar Choubey, Alex Fabbri, Ye Liu, Rui Meng, Lifu Tu, Meghana Bhat, Chien-Sheng Wu, Silvio Savarese, Yingbo Zhou, Shafiq Joty, Caiming Xiong
Most open-source LLMs, on the other hand, are limited in their ability to support longer sequence lengths, which is a key requirement for many tasks that require inference over an input context.
no code implementations • 1 Jun 2023 • Qibo Qiu, Haiming Gao, Wenxiao Wang, Zhiyi Su, Tian Xie, Wei Hua, Xiaofei He
To enhance message passing along particular axes, Stacked Asymmetric Convolution Block (SACB) is designed, which is one of the main contributions in this paper.
1 code implementation • 13 Oct 2022 • Xiang Fu, Zhenghao Wu, Wujie Wang, Tian Xie, Sinan Keten, Rafael Gomez-Bombarelli, Tommi Jaakkola
We benchmark a collection of state-of-the-art (SOTA) ML FF models and illustrate, in particular, how the commonly benchmarked force accuracy is not well aligned with relevant simulation metrics.
2 code implementations • 2 Aug 2022 • Tian Xie, Ha-Kyung Kwon, Daniel Schweigert, Sheng Gong, Arthur France-Lanord, Arash Khajeh, Emily Crabb, Michael Puzon, Chris Fajardo, Will Powelson, Yang Shao-Horn, Jeffrey C. Grossman
We create a public analysis library at https://github. com/TRI-AMDD/htp_md to extract multiple properties from the raw data, using both expert designed functions and machine learning models.
1 code implementation • 21 Apr 2022 • Xiang Fu, Tian Xie, Nathan J. Rebello, Bradley D. Olsen, Tommi Jaakkola
Molecular dynamics (MD) simulation is essential for various scientific domains but computationally expensive.
no code implementations • 19 Apr 2022 • Tian Xie, Rajgopal Kannan, C. -C. Jay Kuo
In this paper, we propose a label efficient regularization and propagation (LERP) framework for graph node classification, and present an alternate optimization procedure for its solution.
1 code implementation • 23 Mar 2022 • Tian Xie, Xinyi Yang, Angela S. Lin, Feihong Wu, Kazuma Hashimoto, Jin Qu, Young Mo Kang, Wenpeng Yin, Huan Wang, Semih Yavuz, Gang Wu, Michael Jones, Richard Socher, Yingbo Zhou, Wenhao Liu, Caiming Xiong
At the core of the struggle is the need to script every single turn of interactions between the bot and the human user.
4 code implementations • ICLR 2022 • Tian Xie, Xiang Fu, Octavian-Eugen Ganea, Regina Barzilay, Tommi Jaakkola
Generating the periodic structure of stable materials is a long-standing challenge for the material design community.
2 code implementations • 13 Jan 2021 • Tian Xie, Arthur France-Lanord, Yanming Wang, Jeffrey Lopez, Michael Austin Stolberg, Megan Hill, Graham Michael Leverick, Rafael Gomez-Bombarelli, Jeremiah A. Johnson, Yang Shao-Horn, Jeffrey C. Grossman
Polymer electrolytes are promising candidates for the next generation lithium-ion battery technology.
1 code implementation • 7 Jan 2021 • Tian Xie, Bin Wang, C. -C. Jay Kuo
In Step 2, a new label vector is predicted for each node based on the label of the node itself and the aggregated label information obtained in Step 1.
1 code implementation • 19 Oct 2020 • Zhentao Shi, Liangjun Su, Tian Xie
This paper tackles forecast combination with many forecasts or minimum variance portfolio selection with many assets.
no code implementations • 9 Sep 2020 • Yafei Xu, Tian Xie, Yu Zhang
Secondly, based on the sub-modular optimization theory and the DMC pool by DMCNet, the generated combined multiple DMCs are ranked with respect to their revenue generation strength then the top three ranked campaigns are returned to the sellers' back-end management system, so that retailers can set combined multiple DMCs for their online shops just in one-shot.
1 code implementation • 27 Jun 2019 • Chaoyang He, Tian Xie, Yu Rong, Wenbing Huang, Junzhou Huang, Xiang Ren, Cyrus Shahabi
Existing techniques either cannot be scaled to large-scale bipartite graphs that have limited labels or cannot exploit the unique structure of bipartite graphs, which have distinct node features in two domains.
no code implementations • 26 Mar 2019 • Cunxiang Wang, Feiliang Ren, Zhichao Lin, Chenxv Zhao, Tian Xie, Yue Zhang
Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning.
1 code implementation • 18 Feb 2019 • Tian Xie, Arthur France-Lanord, Yanming Wang, Yang Shao-Horn, Jeffrey C. Grossman
Understanding the dynamical processes that govern the performance of functional materials is essential for the design of next generation materials to tackle global energy and environmental challenges.
no code implementations • 9 Jul 2018 • Tian Xie, Jeffrey C. Grossman
We demonstrate the potential for such a visualization approach by showing that patterns emerge automatically that reflect similarities at different scales in three representative classes of materials: perovskites, elemental boron, and general inorganic crystals, covering material spaces of different compositions, structures, and both.
no code implementations • 12 Apr 2018 • Zeeshan Ahmad, Tian Xie, Chinmay Maheshwari, Jeffrey C. Grossman, Venkatasubramanian Viswanathan
We predict over 20 mechanically anisotropic interfaces between Li metal and 6 solid electrolytes which can be used to suppress dendrite growth.
3 code implementations • Phys. Rev. Lett. 2017 • Tian Xie, Jeffrey C. Grossman
The use of machine learning methods for accelerating the design of crystalline materials usually requires manually constructed feature vectors or complex transformation of atom coordinates to input the crystal structure, which either constrains the model to certain crystal types or makes it difficult to provide chemical insights.
Ranked #5 on Band Gap on Materials Project
Band Gap Formation Energy Materials Science