中文
相关论文

相关论文: Generative Language Model for Catalyst Discovery

200 篇论文

Large-scale language models (LMs) pretrained on massive corpora of text, such as GPT-2, are powerful open-domain text generators. However, as our systematic examination reveals, it is still challenging for such models to generate coherent…

计算与语言 · 计算机科学 2021-04-15 Bowen Tan , Zichao Yang , Maruan AI-Shedivat , Eric P. Xing , Zhiting Hu

Self-supervised neural language models have recently found wide applications in generative design of organic molecules and protein sequences as well as representation learning for downstream structure classification and functional…

材料科学 · 物理学 2022-09-21 Lai Wei , Nihang Fu , Yuqi Song , Qian Wang , Jianjun Hu

Transformer neural networks show promising capabilities, in particular for uses in materials analysis, design and manufacturing, including their capacity to work effectively with both human language, symbols, code, and numerical data. Here…

计算与语言 · 计算机科学 2023-11-01 Markus J. Buehler

We consider controllable DNA sequence design, where sequences are generated by conditioning on specific biological properties. While language models (LMs) such as GPT and BERT have achieved remarkable success in natural language generation,…

机器学习 · 计算机科学 2025-12-10 Xingyu Su , Xiner Li , Yuchao Lin , Ziqian Xie , Degui Zhi , Shuiwang Ji

Two dimensional (2D) materials have emerged as promising functional materials with many applications such as semiconductors and photovoltaics because of their unique optoelectronic properties. While several thousand 2D materials have been…

材料科学 · 物理学 2020-12-18 Yuqi Song , Edirisuriya M. Dilanga Siriwardane , Yong Zhao , Jianjun Hu

Generative Pre-trained Transformer (GPT) architectures are the most popular design for language modeling. Energy-based modeling is a different paradigm that views inference as a dynamical process operating on an energy landscape. We propose…

机器学习 · 计算机科学 2026-05-04 Nima Dehmamy , Benjamin Hoover , Bishwajit Saha , Leo Kozachkov , Jean-Jacques Slotine , Dmitry Krotov

Exploring the predictive capabilities of language models in material science is an ongoing interest. This study investigates the application of language model embeddings to enhance material property prediction in materials science. By…

计算与语言 · 计算机科学 2024-11-05 Yuwei Wan , Tong Xie , Nan Wu , Wenjie Zhang , Chunyu Kit , Bram Hoex

Large language models(LLMS)have shown excellent text generation capabilities, capable of generating fluent human-like responses for many downstream tasks. However, applying large language models to real-world critical tasks remains…

计算与语言 · 计算机科学 2023-07-21 Le Xiao , Xin Shan

Recent advances in large-scale pre-training such as GPT-3 allow seemingly high quality text to be generated from a given prompt. However, such generation systems often suffer from problems of hallucinated facts, and are not inherently…

计算与语言 · 计算机科学 2022-02-25 Yizhe Zhang , Siqi Sun , Xiang Gao , Yuwei Fang , Chris Brockett , Michel Galley , Jianfeng Gao , Bill Dolan

The rapid advancement of large language models, such as the Generative Pre-trained Transformer (GPT) series, has had significant implications across various disciplines. In this study, we investigate the potential of the state-of-the-art…

计算与语言 · 计算机科学 2023-09-06 Yunhao Yang , Anshul Tomar

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including…

计算与语言 · 计算机科学 2023-12-11 Microsoft Research AI4Science , Microsoft Azure Quantum

Transformer-based language models, including ChatGPT, have demonstrated exceptional performance in various natural language generation tasks. However, there has been limited research evaluating ChatGPT's keyphrase generation ability, which…

计算与语言 · 计算机科学 2023-06-30 Roberto Martínez-Cruz , Alvaro J. López-López , José Portela

Generating responses following a desired style has great potentials to extend applications of open-domain dialogue systems, yet is refrained by lacking of parallel data for training. In this work, we explore the challenging task with…

计算与语言 · 计算机科学 2020-10-07 Ze Yang , Wei Wu , Can Xu , Xinnian Liang , Jiaqi Bai , Liran Wang , Wei Wang , Zhoujun Li

The development of machine learned potentials for catalyst discovery has predominantly been focused on very specific chemistries and material compositions. While effective in interpolating between available materials, these approaches…

Generative Pre-trained Transformer (GPT) models have shown remarkable capabilities for natural language generation, but their performance for machine translation has not been thoroughly investigated. In this paper, we present a…

Self-supervised pre-trained models such as HuBERT and WavLM leverage unlabeled speech data for representation learning and offer significantly improve for numerous downstream tasks. Despite the success of these methods, their large memory…

音频与语音处理 · 电气工程与系统科学 2023-10-23 Yingying Gao , Shilei Zhang , Zihao Cui , Yanhan Xu , Chao Deng , Junlan Feng

ChatGPT has achieved remarkable success in natural language understanding. Considering that recommendation is indeed a conversation between users and the system with items as words, which has similar underlying pattern with ChatGPT, we…

信息检索 · 计算机科学 2024-04-16 Yabin Zhang , Wenhui Yu , Erhan Zhang , Xu Chen , Lantao Hu , Peng Jiang , Kun Gai

We introduce Transformer Grammars (TGs), a novel class of Transformer language models that combine (i) the expressive power, scalability, and strong performance of Transformers and (ii) recursive syntactic compositions, which here are…

计算与语言 · 计算机科学 2022-12-07 Laurent Sartran , Samuel Barrett , Adhiguna Kuncoro , Miloš Stanojević , Phil Blunsom , Chris Dyer

ChatGPT is one of the most popular language models which achieve amazing performance on various natural language tasks. Consequently, there is also an urgent need to detect the texts generated ChatGPT from human written. One of the…

计算与语言 · 计算机科学 2023-10-04 Han Xu , Jie Ren , Pengfei He , Shenglai Zeng , Yingqian Cui , Amy Liu , Hui Liu , Jiliang Tang

The advent of generative AI models holds tremendous potential for aiding teachers in the generation of pedagogical materials. However, numerous knowledge gaps concerning the behavior of these models obfuscate the generation of…

计算机与社会 · 计算机科学 2024-07-16 Alex Dornburg , Kristin Davin