相关论文: BARTSmiles: Generative Masked Language Models for …

Recent studies have demonstrated the overwhelming advantage of cross-lingual pre-trained models (PTMs), such as multilingual BERT and XLM, on cross-lingual NLP tasks. However, existing approaches essentially capture the co-occurrence among…

Molecular language modeling tasks such as molecule captioning have been recognized for their potential to further understand molecular properties that can aid drug discovery or material synthesis based on chemical reactions. Unlike the…

Speech representations learned from Self-supervised learning (SSL) models can benefit various speech processing tasks. However, utilizing SSL representations usually requires fine-tuning the pre-trained models or designing task-specific…

We present BART, a denoising autoencoder for pretraining sequence-to-sequence models. BART is trained by (1) corrupting text with an arbitrary noising function, and (2) learning a model to reconstruct the original text. It uses a standard…

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

This paper presents a novel training method, Conditional Masked Language Modeling (CMLM), to effectively learn sentence representations on large scale unlabeled corpora. CMLM integrates sentence representation learning into MLM training by…

Pre-trained language models have recently emerged as a powerful tool for fine-tuning a variety of language tasks. Ideally, when models are pre-trained on large amount of data, they are expected to gain implicit knowledge. In this paper, we…

In drug-discovery-related tasks such as virtual screening, machine learning is emerging as a promising way to predict molecular properties. Conventionally, molecular fingerprints (numerical representations of molecules) are calculated…

In Neural Machine Translation (NMT) the usage of subwords and characters as source and target units offers a simple and flexible solution for translation of rare and unseen words. However, selecting the optimal subword segmentation involves…

The state of the art in learning meaningful semantic representations of words is the Transformer model and its attention mechanisms. Simply put, the attention mechanisms learn to attend to specific parts of the input dispensing recurrence…

Large Language Models (LLMs) employ three popular training approaches: Masked Language Models (MLM), Causal Language Models (CLM), and Sequence-to-Sequence Models (seq2seq). However, each approach has its strengths and limitations, and…

While neural machine translation (NMT) models provide improved translation quality in an elegant, end-to-end framework, it is less clear what they learn about language. Recent work has started evaluating the quality of vector…

Randomly masking text spans in ordinary texts in the pre-training stage hardly allows models to acquire the ability to generate simple texts. It can hurt the performance of pre-trained models on text simplification tasks. In this paper, we…

Pre-trained language model representations have been successful in a wide range of language understanding tasks. In this paper, we examine different strategies to integrate pre-trained representations into sequence to sequence models and…

Deep generative models of molecules have grown immensely in popularity, trained on relevant datasets, these models are used to search through chemical space. The downstream utility of generative models for the inverse design of novel…

Self-supervised learning, a.k.a., pretraining, is important in natural language processing. Most of the pretraining methods first randomly mask some positions in a sentence and then train a model to recover the tokens at the masked…

Advancements in artificial intelligence for molecular science are necessitating a paradigm shift from purely data-driven predictions to knowledge-guided computational reasoning. Existing molecular models are predominantly proprietary,…

Current language models are usually trained using a self-supervised scheme, where the main focus is learning representations at the word or sentence level. However, there has been limited progress in generating useful discourse-level…

Molecular Representation Learning is essential to solving many drug discovery and computational chemistry problems. It is a challenging problem due to the complex structure of molecules and the vast chemical space. Graph representations of…

Masked language models (MLMs) such as BERT and RoBERTa have revolutionized the field of Natural Language Understanding in the past few years. However, existing pre-trained MLMs often output an anisotropic distribution of token…