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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…

Drug optimization has become increasingly crucial in light of fast-mutating virus strains and drug-resistant cancer cells. Nevertheless, it remains challenging as it necessitates retaining the beneficial properties of the original drug…

Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug…

Alignment, endowing a pre-trained Large language model (LLM) with the ability to follow instructions, is crucial for its real-world applications. Conventional supervised fine-tuning (SFT) methods formalize it as causal language modeling…

Large Language Models (LLMs) exhibit significant disparities in performance across languages, primarily benefiting high-resource languages while marginalizing underrepresented ones. Continual Pretraining (CPT) has emerged as a promising…

Molecular property prediction (MPP) is a fundamental and crucial task in drug discovery. However, prior methods are limited by the requirement for a large number of labeled molecules and their restricted ability to generalize for unseen and…

Molecular language modeling is an effective approach to generating novel chemical structures. However, these models do not \emph{a priori} encode certain preferences a chemist may desire. We investigate the use of fine-tuning using Direct…

Designing proteins with specific attributes offers an important solution to address biomedical challenges. Pre-trained protein large language models (LLMs) have shown promising results on protein sequence generation. However, to control…

As language models (LMs) become more capable, it is increasingly important to align them with human preferences. However, the dominant paradigm for training Preference Models (PMs) for that purpose suffers from fundamental limitations, such…

Models of human feedback for AI alignment, such as those underpinning Direct Preference Optimization (DPO), often bake in a singular, static set of preferences, limiting adaptability. This paper challenges the assumption of monolithic…

Automated agent workflows can enhance the problem-solving ability of large language models (LLMs), but common search strategies rely on stochastic exploration and often traverse implausible branches. This occurs because current pipelines…

We introduce Scaffold Prompt Tuning (ScaPT), a novel prompt-based framework for adapting large-scale functional magnetic resonance imaging (fMRI) pre-trained models to downstream tasks, with high parameter efficiency and improved…

Translation is important for cross-language communication, and many efforts have been made to improve its accuracy. However, less investment is conducted in aligning translations with human preferences, such as translation tones or styles.…

Large language models (LLMs) have made significant progress in natural language understanding and generation, driven by scalable pretraining and advanced finetuning. However, enhancing reasoning abilities in LLMs, particularly via…

Aligning large language models (LLMs) with human preferences is essential for safe and useful LLMs. Previous works mainly adopt reinforcement learning (RLHF) and direct preference optimization (DPO) with human feedback for alignment.…

Recent research has shown that large language models (LLMs) can achieve remarkable translation performance through supervised fine-tuning (SFT) using only a small amount of parallel data. However, SFT simply instructs the model to imitate…

Alignment of large language models (LLMs) with human preferences typically relies on supervised reward models or external judges that demand abundant annotations. However, in fields that rely on professional knowledge, such as medicine and…

Supervised fine-tuning (SFT) has become a crucial step for aligning pretrained large language models (LLMs) using supervised datasets of input-output pairs. However, despite being supervised, SFT is inherently limited by its generative…

Single-cell foundation models such as scGPT represent a significant advancement in single-cell omics, with an ability to achieve state-of-the-art performance on various downstream biological tasks. However, these models are inherently…

One of the major applications of generative models for drug Discovery targets the lead-optimization phase. During the optimization of a lead series, it is common to have scaffold constraints imposed on the structure of the molecules…