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Simplified Molecular Input Line Entry System (SMILES) is a single line text representation of a unique molecule. One molecule can however have multiple SMILES strings, which is a reason that canonical SMILES have been defined, which ensures…

Machine Learning · Computer Science 2017-05-18 Esben Jannik Bjerrum

Recent years have seen rapid development of descriptor generation based on representation learning of extremely diverse molecules, especially those that apply natural language processing (NLP) models to SMILES, a literal representation of…

Machine Learning · Computer Science 2024-02-20 Yasuhiro Yoshikai , Tadahaya Mizuno , Shumpei Nemoto , Hiroyuki Kusuhara

Pre-training a language model and then fine-tuning it for downstream tasks has demonstrated state-of-the-art results for various NLP tasks. Pre-training is usually independent of the downstream task, and previous works have shown that this…

Computation and Language · Computer Science 2022-11-28 Tanish Lad , Himanshu Maheshwari , Shreyas Kottukkal , Radhika Mamidi

The rapid development of neural text-to-speech (TTS) systems enabled its usage in other areas of natural language processing such as automatic speech recognition (ASR) or spoken language translation (SLT). Due to the large number of…

Computation and Language · Computer Science 2024-08-01 Nick Rossenbach , Ralf Schlüter , Sakriani Sakti

State-of-the-art text-to-speech (TTS) systems have utilized pretrained language models (PLMs) to enhance prosody and create more natural-sounding speech. However, while PLMs have been extensively researched for natural language…

Computation and Language · Computer Science 2023-09-06 Marcel Granero-Moya , Penny Karanasou , Sri Karlapati , Bastian Schnell , Nicole Peinelt , Alexis Moinet , Thomas Drugman

Smiles play a vital role in the understanding of social interactions within different communities, and reveal the physical state of mind of people in both real and deceptive ways. Several methods have been proposed to recognize spontaneous…

Computer Vision and Pattern Recognition · Computer Science 2020-10-08 Yan Yang , Md Zakir Hossain , Tom Gedeon , Shafin Rahman

Pre-trained Language Model (PLM) has become a representative foundation model in the natural language processing field. Most PLMs are trained with linguistic-agnostic pre-training tasks on the surface form of the text, such as the masked…

Computation and Language · Computer Science 2022-11-11 Yiming Cui , Wanxiang Che , Shijin Wang , Ting Liu

Self-supervised sentence representation learning is the task of constructing an embedding space for sentences without relying on human annotation efforts. One straightforward approach is to finetune a pretrained language model (PLM) with a…

Prompt tuning prepends a soft prompt to the input embeddings or hidden states and only optimizes the prompt to adapt pretrained models (PTMs) to downstream tasks. The previous work manually selects prompt layers which are far from optimal…

Computation and Language · Computer Science 2023-11-01 Wei Zhu , Ming Tan

Large-scale pre-trained language models have been shown to be helpful in improving the naturalness of text-to-speech (TTS) models by enabling them to produce more naturalistic prosodic patterns. However, these models are usually word-level…

Computation and Language · Computer Science 2023-01-24 Yinghao Aaron Li , Cong Han , Xilin Jiang , Nima Mesgarani

Molecular representation learning is fundamental for many drug related applications. Most existing molecular pre-training models are limited in using single molecular modality, either SMILES or graph representation. To effectively leverage…

Machine Learning · Computer Science 2024-11-05 Shikun Feng , Lixin Yang , Yanwen Huang , Yuyan Ni , Weiying Ma , Yanyan Lan

Various template-based and template-free approaches have been proposed for single-step retrosynthesis prediction in recent years. While these approaches demonstrate strong performance from a data-driven metrics standpoint, many model…

Machine Learning · Computer Science 2023-08-15 Kevin Zhang , Vipul Mann , Venkat Venkatasubramanian

Natural Language Processing (NLP) has transformed the financial industry, enabling advancements in areas such as textual analysis, risk management, and forecasting. Large language models (LLMs) like BloombergGPT and FinMA have set new…

Computation and Language · Computer Science 2025-12-08 Jawad Ibn Ahad , Muhammad Rafsan Kabir , Robin Krambroeckers , Sifat Momen , Nabeel Mohammed , Shafin Rahman

We present a neural text-to-speech (TTS) method that models natural vocal effort variation to improve the intelligibility of synthetic speech in the presence of noise. The method consists of first measuring the spectral tilt of unlabeled…

Audio and Speech Processing · Electrical Eng. & Systems 2022-03-30 Tuomo Raitio , Petko Petkov , Jiangchuan Li , Muhammed Shifas , Andrea Davis , Yannis Stylianou

Speech-to-Speech Translation (S2ST) models transform speech from one language to another target language with the same linguistic information. S2ST is important for bridging the communication gap among communities and has diverse…

Computation and Language · Computer Science 2024-11-25 Mahendra Gupta , Maitreyee Dutta , Chandresh Kumar Maurya

Speech emotion recognition (SER) has drawn increasing attention for its applications in human-machine interaction. However, existing SER methods ignore the information gap between the pre-training speech recognition task and the downstream…

Sound · Computer Science 2023-10-03 Dongyuan Li , Yusong Wang , Kotaro Funakoshi , Manabu Okumura

How to achieve better end-to-end speech translation (ST) by leveraging (text) machine translation (MT) data? Among various existing techniques, multi-task learning is one of the effective ways to share knowledge between ST and MT in which…

Computation and Language · Computer Science 2023-05-16 Qingkai Fang , Yang Feng

Machine learning potentials are an important tool for molecular simulation, but their development is held back by a shortage of high quality datasets to train them on. We describe the SPICE dataset, a new quantum chemistry dataset for…

We show that large language model (LLMs) can be transformed via supervised fine-tuning (SFT) of engineered prompts into SmileyLlama for exploring the chemical space of drug molecules. We benchmark SmileyLlama against pre-trained LLMs and…

Large language models (LLMs) are widely applied in various natural language processing tasks such as question answering and machine translation. However, due to the lack of labeled data and the difficulty of manual annotation for…

Artificial Intelligence · Computer Science 2026-05-27 Xuan Lin , Long Chen , Yile Wang , Yangyang Chen , Xiangxiang Zeng
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