相关论文: Large Language Models for Controllable Multi-prope…

Optimization problems are prevalent across various scenarios. Formulating and then solving optimization problems described by natural language often requires highly specialized human expertise, which could block the widespread application…

Aligning large language models (LLMs) with human preferences is critical for enhancing LLMs' safety, helpfulness, humor, faithfulness, etc. Current reinforcement learning from human feedback (RLHF) mainly focuses on a fixed reward learned…

Instruction-based language modeling has received significant attention in pretrained language models. However, the efficiency of instruction engineering remains low and hinders the development of instruction studies. Recent studies have…

Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the…

Machine learning based methods have shown potential for optimizing existing molecules with more desirable properties, a critical step towards accelerating new chemical discovery. Here we propose QMO, a generic query-based molecule…

Large language models (LLMs) have shown remarkable capabilities in general domains, but their application to multi-omics biology remains underexplored. To address this gap, we introduce Biology-Instructions, the first large-scale…

Large language models (LLMs), despite their breakthroughs on many challenging benchmark tasks, lean to generate verbose responses and lack the controllability of output complexity, which is usually preferred by human users in practice. In…

Machine learning methods have been used to accelerate the molecule optimization process. However, efficient search for optimized molecules satisfying several properties with scarce labeled data remains a challenge for machine learning…

Molecular optimization is a crucial yet complex and time-intensive process that often acts as a bottleneck for drug development. Traditional methods rely heavily on trial and error, making multi-objective optimization both time-consuming…

Proprietary Large Language Models (LLMs), such as ChatGPT, have garnered significant attention due to their exceptional capabilities in handling a diverse range of tasks. Recent studies demonstrate that open-sourced smaller foundational…

The number of large language models (LLMs) with varying parameter scales and vocabularies is increasing. While they deliver powerful performance, they also face a set of common optimization needs to meet specific requirements or standards,…

Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines. Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text.…

Complex instruction-following with elaborate constraints is imperative for Large Language Models (LLMs). While existing methods have constructed data for complex instruction alignment, they all rely on a more advanced model, especially…

Leveraging machine-learning (ML) techniques for compiler optimizations has been widely studied and explored in academia. However, the adoption of ML in general-purpose, industry strength compilers has yet to happen. We propose MLGO, a…

Large Language Models (LLMs) have shown promising results on machine translation for high resource language pairs and domains. However, in specialised domains (e.g. medical) LLMs have shown lower performance compared to standard neural…

Large language models (LLMs) with instruction fine-tuning demonstrate superior generative capabilities. However, these models are resource-intensive. To alleviate this issue, we explore distilling knowledge from instruction-tuned LLMs into…

Large language models (LLMs) have demonstrated their instruction-following capabilities and achieved powerful performance on various tasks. Inspired by their success, recent works in the molecular domain have led to the development of large…

Optimizing black-box functions is a fundamental problem in science and engineering. To solve this problem, many approaches learn a surrogate function that estimates the underlying objective from limited historical evaluations. Large…

To enhance the performance of large language models (LLMs) in biomedical natural language processing (BioNLP) by introducing a domain-specific instruction dataset and examining its impact when combined with multi-task learning principles.…

The ability to design molecules while preserving similarity to a target molecule and/or property is crucial for various applications in drug discovery, chemical design, and biology. We introduce in this paper an efficient training-free…