Related papers: Molecule Design by Latent Prompt Transformer

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…

Large Language Models (LLMs) exhibit remarkable proficiency in addressing a diverse array of tasks within the Natural Language Processing (NLP) domain, with various prompt design strategies significantly augmenting their capabilities.…

Large language models (LLMs) have become increasingly capable of following instructions and complex reasoning, making prompting a flexible interface for adapting models without parameter updates. Yet prompt design remains labor-intensive…

Pre-trained Transformer-based models have achieved state-of-the-art performance for various Natural Language Processing (NLP) tasks. However, these models often have billions of parameters, and, thus, are too resource-hungry and…

The capabilities of Large Language Models (LLMs) in code generation have been extensively studied, particularly for implementing target functionalities from natural-language descriptions. Alternatively, input-output (I/O) examples provide…

Diffusion probabilistic models have achieved enormous success in the field of image generation and manipulation. In this paper, we explore a novel paradigm of using the diffusion model and classifier guidance in the latent semantic space…

The performance of Large Language Models (LLMs) relies heavily on the quality of prompts, which are often manually engineered and task-specific, making them costly and non-scalable. We propose a novel approach, Supervisory Prompt Training…

With the widespread adoption of pre-trained Large Language Models (LLM), there exists a high demand for task-specific test sets to benchmark their performance in domains such as healthcare and biomedicine. However, the cost of labeling test…

Due to the vast design space of molecules, generating molecules conditioned on a specific sub-structure relevant to a particular function or therapeutic target is a crucial task in computer-aided drug design. Existing works mainly focus on…

Prompt-Tuning is a new paradigm for finetuning pre-trained language models in a parameter-efficient way. Here, we explore the use of HyperNetworks to generate hyper-prompts: we propose HyperPrompt, a novel architecture for prompt-based…

In this paper, we introduce Attention Prompt Tuning (APT) - a computationally efficient variant of prompt tuning for video-based applications such as action recognition. Prompt tuning approaches involve injecting a set of learnable prompts…

Discovery of novel and promising materials is a critical challenge in the field of chemistry and material science, traditionally approached through methodologies ranging from trial-and-error to machine learning-driven inverse design. Recent…

Implicit generative models are difficult to train as no explicit density functions are defined. Generative adversarial nets (GANs) present a minimax framework to train such models, which however can suffer from mode collapse due to the…

Many types of data from fields including natural language processing, computer vision, and bioinformatics, are well represented by discrete, compositional structures such as trees, sequences, or matchings. Latent structure models are a…

The increasing reliance on large language models (LLMs) such as ChatGPT in various fields emphasizes the importance of ``prompt engineering,'' a technology to improve the quality of model outputs. With companies investing significantly in…

The dream of achieving a student-teacher ratio of 1:1 is closer than ever thanks to the emergence of large language models (LLMs). One potential application of these models in the educational field would be to provide feedback to students…

Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling the target-ligand distribution can hardly fulfill one of the…

Optimizing chemical molecules for desired properties lies at the core of drug development. Despite initial successes made by deep generative models and reinforcement learning methods, these methods were mostly limited by the requirement of…

In large-scale industrial LLM systems, prompt templates often expand to thousands of tokens as teams iteratively incorporate sections such as task instructions, few-shot examples, and heuristic rules to enhance robustness and coverage. This…

Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Traditional physics-based simulation methods often struggle with…