相关论文: Training Text-to-Molecule Models with Context-Awar…

This paper aims to benchmark recent progress in language understanding models that output contextualised representations at the character level. Many such modelling architectures and methods to train those architectures have been proposed,…

Molecule discovery plays a crucial role in various scientific fields, advancing the design of tailored materials and drugs. However, most of the existing methods heavily rely on domain experts, require excessive computational cost, or…

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

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…

In this paper, we explore the potential of visual in-context learning to enable a single model to handle multiple tasks and adapt to new tasks during test time without re-training. Unlike previous approaches, our focus is on training…

In document-level neural machine translation (DocNMT), multi-encoder approaches are common in encoding context and source sentences. Recent studies \cite{li-etal-2020-multi-encoder} have shown that the context encoder generates noise and…

Token representation strategies within large-scale neural architectures often rely on contextually refined embeddings, yet conventional approaches seldom encode structured relationships explicitly within token interactions. Self-attention…

Large Language Models (LLMs) have demonstrated great performance in few-shot In-Context Learning (ICL) for a variety of generative and discriminative chemical design tasks. The newly expanded context windows of LLMs can further improve ICL…

Modern tokenizers employ deterministic algorithms to map text into a single "canonical" token sequence, yet the same string can be encoded as many non-canonical tokenizations using the tokenizer vocabulary. In this work, we investigate the…

Tokenization is a critical component of language model pretraining, yet standard tokenization methods often prioritize information-theoretical goals like high compression and low fertility rather than linguistic goals like morphological…

We present Connection-Aware Motif Sequencing (CamS), a graph-to-sequence representation that enables decoder-only Transformers to learn molecular graphs via standard next-token prediction (NTP). For molecular property prediction,…

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…

Language models (LMs) are pre-trained on raw text datasets to generate text sequences token-by-token. While this approach facilitates the learning of world knowledge and reasoning, it does not explicitly optimize for linguistic competence.…

Most current molecular language models transfer the masked language model or image-text generation model from natural language processing to molecular field. However, molecules are not solely characterized by atom/bond symbols; they…

Text encoders in diffusion models have rapidly evolved, transitioning from CLIP to T5-XXL. Although this evolution has significantly enhanced the models' ability to understand complex prompts and generate text, it also leads to a…

The application of large language models (LLMs) to chemistry is frequently hampered by a "tokenization bottleneck", where tokenizers tuned on general-domain text tend to fragment chemical representations such as SMILES into semantically…

Text-to-Text Transfer Transformer (T5) has recently been considered for the Grapheme-to-Phoneme (G2P) transduction. As a follow-up, a tokenizer-free byte-level model based on T5 referred to as ByT5, recently gave promising results on…

Large language models encode impressively broad world knowledge in their parameters. However, the knowledge in static language models falls out of date, limiting the model's effective "shelf life." While online fine-tuning can reduce this…

Vision-language models (VLMs) have excelled in multimodal tasks, but adapting them to embodied decision-making in open-world environments presents challenges. One critical issue is bridging the gap between discrete entities in low-level…

In Track-1 of the BioCreative VII Challenge participants are asked to identify interactions between drugs/chemicals and proteins. In-context named entity annotations for each drug/chemical and protein are provided and one of fourteen…