相关论文: TransPolymer: a Transformer-based language model f…

Language models (LMs) exhibit remarkable abilities to solve new tasks from just a few examples or textual instructions, especially at scale. They also, paradoxically, struggle with basic functionality, such as arithmetic or factual lookup,…

Deep learning is now widely used in drug discovery, providing significant acceleration and cost reduction. As the most fundamental building block, molecular representation is essential for predicting molecular properties to enable various…

Recent work on tokenizer-free multilingual pretrained models show promising results in improving cross-lingual transfer and reducing engineering overhead (Clark et al., 2022; Xue et al., 2022). However, these works mainly focus on reporting…

The Transformer architecture has become prominent in developing large causal language models. However, mechanisms to explain its capabilities are not well understood. Focused on the training process, here we establish a meta-learning view…

Recent advancements in computational chemistry have leveraged the power of trans-former-based language models, such as MoLFormer, pre-trained using a vast amount of simplified molecular-input line-entry system (SMILES) sequences, to…

Language models typically tokenize text into subwords, using a deterministic, hand-engineered heuristic of combining characters into longer surface-level strings such as 'ing' or whole words. Recent literature has repeatedly shown the…

Molecular Property Prediction (MPP) is vital for drug discovery, crop protection, and environmental science. Over the last decades, diverse computational techniques have been developed, from using simple physical and chemical properties and…

The use of deep pre-trained bidirectional transformers has led to remarkable progress in a number of applications (Devlin et al., 2018). For tasks that make pairwise comparisons between sequences, matching a given input with a corresponding…

A novel framework has recently been proposed for designing the molecular structure of chemical compounds with a desired chemical property using both artificial neural networks and mixed integer linear programming. In this paper, we design a…

Pretraining massively multilingual Large Language Models (LLMs) for many languages at once is challenging due to limited model capacity, scarce high-quality data, and compute constraints. Moreover, the lack of language coverage of the…

Language modelling provides a step towards intelligent communication systems by harnessing large repositories of written human knowledge to better predict and understand the world. In this paper, we present an analysis of Transformer-based…

Interpreting the effects of variants within the human genome and proteome is essential for analysing disease risk, predicting medication response, and developing personalised health interventions. Due to the intrinsic similarities between…

Large-scale pre-training methodologies for chemical language models represent a breakthrough in cheminformatics. These methods excel in tasks such as property prediction and molecule generation by learning contextualized representations of…

Humans are excellent at understanding language and vision to accomplish a wide range of tasks. In contrast, creating general instruction-following embodied agents remains a difficult challenge. Prior work that uses pure language-only models…

Machine-learning (ML) models in polymer science typically treat a polymer as a single, perfectly defined molecular graph, even though real materials consist of stochastic ensembles of chains with distributed lengths. This mismatch between…

Large Language Models (LLMs) have achieved impressive performance across diverse tasks but continue to struggle with learning transitive relations, a cornerstone for complex planning. To address this issue, we investigate the Multi-Token…

Currently, domestic service robots have an insufficient ability to interact naturally through language. This is because understanding human instructions is complicated by various ambiguities and missing information. In existing methods, the…

Inspired by the success of transformer-based pre-training methods on natural language tasks and further computer vision tasks, researchers have begun to apply transformer to video processing. This survey aims to give a comprehensive…

Fine-tuned transformer models have shown superior performances in many natural language tasks. However, the large model size prohibits deploying high-performance transformer models on resource-constrained devices. This paper proposes a…

The large transformer-based language models demonstrate excellent performance in natural language processing. By considering the transferability of the knowledge gained by these models in one domain to other related domains, and the…