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Chemical formula annotation for tandem mass spectrometry (MS/MS) data is the first step toward structurally elucidating unknown metabolites. While great strides have been made toward solving this problem, the current state-of-the-art method…

Quantitative Methods · Quantitative Biology 2023-10-24 Samuel Goldman , Jiayi Xin , Joules Provenzano , Connor W. Coley

Pre-trained language models such as BERT have achieved great success in a broad range of natural language processing tasks. However, BERT cannot well support E-commerce related tasks due to the lack of two levels of domain knowledge, i.e.,…

Computation and Language · Computer Science 2021-12-20 Denghui Zhang , Zixuan Yuan , Yanchi Liu , Fuzhen Zhuang , Haifeng Chen , Hui Xiong

There is an intuitive analogy of an organic chemist's understanding of a compound and a language speaker's understanding of a word. Consequently, it is possible to introduce the basic concepts and analyze potential impacts of linguistic…

Machine Learning · Computer Science 2017-11-16 Philippe Schwaller , Theophile Gaudin , David Lanyi , Costas Bekas , Teodoro Laino

This paper presents an improved LLM based model for Grammatical Error Detection (GED), which is a very challenging and equally important problem for many applications. The traditional approach to GED involved hand-designed features, but…

Computation and Language · Computer Science 2024-11-26 Rahul Nihalani , Kushal Shah

Large Language Models (LLMs) increasingly incorporate multilingual capabilities, fueling the demand to transfer them into target language-specific models. However, most approaches, which blend the source model's embedding by replacing the…

Computation and Language · Computer Science 2025-05-23 Seungyoon Lee , Seongtae Hong , Hyeonseok Moon , Heuiseok Lim

Neural Machine Translation (NMT) is an end-to-end learning approach for automated translation, with the potential to overcome many of the weaknesses of conventional phrase-based translation systems. Unfortunately, NMT systems are known to…

Language model approaches have recently been integrated into binary analysis tasks, such as function similarity detection and function signature recovery. These models typically employ a two-stage training process: pre-training via Masked…

Software Engineering · Computer Science 2024-12-24 Hanxiao Lu , Hongyu Cai , Yiming Liang , Antonio Bianchi , Z. Berkay Celik

Large language models (LLMs) demonstrate impressive capabilities in mathematical reasoning. However, despite these achievements, current evaluations are mostly limited to specific mathematical topics, and it remains unclear whether LLMs are…

Computation and Language · Computer Science 2025-04-01 Arash Gholami Davoodi , Seyed Pouyan Mousavi Davoudi , Pouya Pezeshkpour

Over the past few decades, Artificial Intelligence(AI) has progressed from the initial machine learning stage to the deep learning stage, and now to the stage of foundational models. Foundational models have the characteristics of…

Computation and Language · Computer Science 2024-11-28 Lewen Yang , Xuanyu Zhou , Juao Fan , Xinyi Xie , Shengxin Zhu

Current Text-to-Speech (TTS) systems typically use separate models for speech-prompted and text-prompted timbre control. While unifying both control signals into a single model is desirable, the challenge of cross-modal alignment often…

Sound · Computer Science 2026-03-18 Zihao Zheng , Wen Wu , Chao Zhang , Mengyue Wu , Xuenan Xu

Handwritten Mathematical Expression Recognition (HMER) has extensive applications in automated grading and office automation. However, existing sequence-based decoding methods, which directly predict $\LaTeX$ sequences, struggle to…

Computer Vision and Pattern Recognition · Computer Science 2024-12-12 Jianhua Zhu , Wenqi Zhao , Yu Li , Xingjian Hu , Liangcai Gao

LLM agents that store knowledge as natural language suffer steep retrieval degradation as condition count grows, often struggle to compose learned rules reliably, and typically lack explicit mechanisms to detect stale or adversarial…

Artificial Intelligence · Computer Science 2026-03-11 Arash Shahmansoori

Neural Machine Translation (MT) has radically changed the way systems are developed. A major difference with the previous generation (Phrase-Based MT) is the way monolingual target data, which often abounds, is used in these two paradigms.…

Computation and Language · Computer Science 2019-03-28 Franck Burlot , François Yvon

Models based on machine learning can enable accurate and fast molecular property predictions, which is of interest in drug discovery and material design. Various supervised machine learning models have demonstrated promising performance,…

Machine Learning · Computer Science 2022-12-15 Jerret Ross , Brian Belgodere , Vijil Chenthamarakshan , Inkit Padhi , Youssef Mroueh , Payel Das

An accurate binding affinity prediction between T-cell receptors and epitopes contributes decisively to develop successful immunotherapy strategies. Some state-of-the-art computational methods implement deep learning techniques by…

Machine Learning · Computer Science 2024-01-18 Etienne Goffinet , Raghvendra Mall , Ankita Singh , Rahul Kaushik , Filippo Castiglione

Phrase-based statistical machine translation (SMT) systems have previously been used for the task of grammatical error correction (GEC) to achieve state-of-the-art accuracy. The superiority of SMT systems comes from their ability to learn…

Computation and Language · Computer Science 2016-06-02 Shamil Chollampatt , Kaveh Taghipour , Hwee Tou Ng

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

Chemical Physics · Physics 2025-02-04 Ming Han , Ge Sun , Juan J. de Pablo

Pretrained language models such as BERT, GPT have shown great effectiveness in language understanding. The auxiliary predictive tasks in existing pretraining approaches are mostly defined on tokens, thus may not be able to capture…

Computation and Language · Computer Science 2020-06-19 Hongchao Fang , Sicheng Wang , Meng Zhou , Jiayuan Ding , Pengtao Xie

Recent progress in cross-lingual relation and event extraction use graph convolutional networks (GCNs) with universal dependency parses to learn language-agnostic sentence representations such that models trained on one language can be…

Computation and Language · Computer Science 2021-02-19 Wasi Uddin Ahmad , Nanyun Peng , Kai-Wei Chang

We introduce G2T-LLM, a novel approach for molecule generation that uses graph-to-tree text encoding to transform graph-based molecular structures into a hierarchical text format optimized for large language models (LLMs). This encoding…

Machine Learning · Computer Science 2024-10-04 Zhaoning Yu , Xiangyang Xu , Hongyang Gao