English
Related papers

Related papers: T-Rex: Text-assisted Retrosynthesis Prediction

200 papers

Efficient catalyst screening necessitates predictive models for adsorption energy, a key property of reactivity. However, prevailing methods, notably graph neural networks (GNNs), demand precise atomic coordinates for constructing graph…

Computational Engineering, Finance, and Science · Computer Science 2023-09-04 Janghoon Ock , Chakradhar Guntuboina , Amir Barati Farimani

Data repair is a common and crucial step in many frameworks today, as applications may use data from different sources and of different levels of credibility. Thus, this step has been the focus of many works, proposing diverse approaches.…

Databases · Computer Science 2020-07-10 Daniel Deutch , Nave Frost , Amir Gilad , Oren Sheffer

Non-autoregressive generation (NAG) has recently attracted great attention due to its fast inference speed. However, the generation quality of existing NAG models still lags behind their autoregressive counterparts. In this work, we show…

Computation and Language · Computer Science 2021-02-17 Yixuan Su , Deng Cai , Yan Wang , David Vandyke , Simon Baker , Piji Li , Nigel Collier

Incremental text-to-speech (TTS) synthesis generates utterances in small linguistic units for the sake of real-time and low-latency applications. We previously proposed an incremental TTS method that leverages a large pre-trained language…

Sound · Computer Science 2021-09-23 Takaaki Saeki , Shinnosuke Takamichi , Hiroshi Saruwatari

In this paper, we study the compositional learning of images and texts for image retrieval. The query is given in the form of an image and text that describes the desired modifications to the image; the goal is to retrieve the target image…

Computer Vision and Pattern Recognition · Computer Science 2021-10-27 Minchul Shin , Yoonjae Cho , Byungsoo Ko , Geonmo Gu

Transition states (TSs) govern the rates and outcomes of chemical reactions, making their accurate prediction a central challenge in computational chemistry. Although recent machine-learning models achieve near chemical accuracy in the…

This study explores the integration of a representative large language model, ChatGPT, into lending decision-making with a focus on credit default prediction. Specifically, we use ChatGPT to analyse and interpret loan assessments written by…

Risk Management · Quantitative Finance 2025-03-25 Zongxiao Wu , Yizhe Dong , Yaoyiran Li , Baofeng Shi

Retrieval-augmented generation (RAG) has emerged as a pivotal method for expanding the knowledge of large language models. To handle complex queries more effectively, researchers developed Adaptive-RAG (A-RAG) to enhance the generated…

Artificial Intelligence · Computer Science 2025-05-27 Jie Ou , Jinyu Guo , Shuaihong Jiang , Zhaokun Wang , Libo Qin , Shunyu Yao , Wenhong Tian

The task of text-to-SQL parsing, which aims at converting natural language questions into executable SQL queries, has garnered increasing attention in recent years, as it can assist end users in efficiently extracting vital information from…

Computation and Language · Computer Science 2023-01-19 Jinyang Li , Binyuan Hui , Reynold Cheng , Bowen Qin , Chenhao Ma , Nan Huo , Fei Huang , Wenyu Du , Luo Si , Yongbin Li

Retrieval-Augmented Generation (RAG) improves factual grounding in large language models but suffers from substantial latency due to synchronous retrieval. While recent work explores asynchronous retrieval, existing approaches rely on…

Computation and Language · Computer Science 2026-05-19 Wuyang Zhang , Shichao Pei

Retrosynthesis is the process of determining the set of reactant molecules that can react to form a desired product. Semi-template-based retrosynthesis methods, which imitate the reverse logic of synthesis reactions, first predict the…

Machine Learning · Computer Science 2024-04-01 Frazier N. Baker , Ziqi Chen , Daniel Adu-Ampratwum , Xia Ning

We study the pre-train + fine-tune strategy for data-to-text tasks. Our experiments indicate that text-to-text pre-training in the form of T5, enables simple, end-to-end transformer based models to outperform pipelined neural architectures…

Computation and Language · Computer Science 2021-07-12 Mihir Kale , Abhinav Rastogi

Retrieval-augmented generation (RAG) is critical for reducing hallucinations and incorporating external knowledge into Large Language Models (LLMs). However, advanced RAG systems face a trade-off between performance and efficiency.…

Information Retrieval · Computer Science 2025-08-05 Shengbo Gong , Xianfeng Tang , Carl Yang , Wei jin

Retrosynthesis plays a crucial role in the fields of organic synthesis and drug development, where the goal is to identify suitable reactants that can yield a target product molecule. Although existing methods have achieved notable success,…

Machine Learning · Computer Science 2025-10-20 Jiaxi Zhuang , Yu Zhang , Yan Zhang , Ying Qian , Aimin Zhou

Cross-lingual transfer (XLT) is an emergent ability of multilingual language models that preserves their performance on a task to a significant extent when evaluated in languages that were not included in the fine-tuning process. While…

Computation and Language · Computer Science 2023-10-27 Taejun Yun , Jinhyeon Kim , Deokyeong Kang , Seong Hoon Lim , Jihoon Kim , Taeuk Kim

BatGPT is a large-scale language model designed and trained jointly by Wuhan University and Shanghai Jiao Tong University. It is capable of generating highly natural and fluent text in response to various types of input, including text…

Computation and Language · Computer Science 2023-08-16 Zuchao Li , Shitou Zhang , Hai Zhao , Yifei Yang , Dongjie Yang

Recently, generative AIs like ChatGPT have become available to the wide public. These tools can for instance be used by students to generate essays or whole theses. But how does a teacher know whether a text is written by a student or an…

Computation and Language · Computer Science 2023-11-14 Lorenz Mindner , Tim Schlippe , Kristina Schaaff

ChatGPT has demonstrated remarkable capabilities across various natural language processing (NLP) tasks. However, its potential for inferring dynamic network structures from temporal textual data, specifically financial news, remains an…

Statistical Finance · Quantitative Finance 2023-09-20 Zihan Chen , Lei Nico Zheng , Cheng Lu , Jialu Yuan , Di Zhu

The emergence of agent-based systems represents a significant advancement in artificial intelligence, with growing applications in automated data extraction. However, chemical information extraction remains a formidable challenge due to the…

Generative pre-trained Transformer (GPT) has demonstrates its great success in natural language processing and related techniques have been adapted into molecular modeling. Considering that text is the most important record for scientific…

Computation and Language · Computer Science 2023-05-29 Zequn Liu , Wei Zhang , Yingce Xia , Lijun Wu , Shufang Xie , Tao Qin , Ming Zhang , Tie-Yan Liu