相关论文: Molecule Design by Latent Prompt Transformer

Is there a unified model for generating molecules considering different conditions, such as binding pockets and chemical properties? Although target-aware generative models have made significant advances in drug design, they do not consider…

We study a fundamental problem in structure-based drug design -- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep generative models in drug design, the existing methods are…

Augmenting large language models (LLMs) with auxiliary tokens has emerged as a promising strategy for enhancing model performance. In this work, we introduce a lightweight method termed latent tokens; these are dummy tokens that may be…

Generating sewing patterns in garment design is receiving increasing attention due to its CG-friendly and flexible-editing nature. Previous sewing pattern generation methods have been able to produce exquisite clothing, but struggle to…

Predictive learning uses a known state to generate a future state over a period of time. It is a challenging task to predict spatiotemporal sequence because the spatiotemporal sequence varies both in time and space. The mainstream method is…

Generative molecular optimization aims to design molecules with properties surpassing those of existing compounds. However, such candidates are rare and expensive to evaluate, yielding sample efficiency essential. Additionally, surrogate…

RNA design, the task of finding a sequence that folds into a target secondary structure, has broad biological and biomedical impact but remains computationally challenging due to the exponentially large sequence space and exponentially many…

The discovery and study of new material systems rely on molecular simulations that often come with significant computational expense. We propose MDDM, a Molecular Dynamics Diffusion Model, which is capable of predicting a valid output…

Although deep learning has achieved appealing results on several machine learning tasks, most of the models are deterministic at inference, limiting their application to single-modal settings. We propose a novel general-purpose framework…

Molecule generation, especially generating 3D molecular geometries from scratch (i.e., 3D \textit{de novo} generation), has become a fundamental task in drug designs. Existing diffusion-based 3D molecule generation methods could suffer from…

Style voice conversion aims to transform the style of source speech to a desired style according to real-world application demands. However, the current style voice conversion approach relies on pre-defined labels or reference speech to…

Unsupervised learning aims at the discovery of hidden structure that drives the observations in the real world. It is essential for success in modern machine learning. Latent variable models are versatile in unsupervised learning and have…

The development of multimodal models has significantly advanced multimodal sentiment analysis and emotion recognition. However, in real-world applications, the presence of various missing modality cases often leads to a degradation in the…

As the pre-trained language models (PLMs) continue to grow, so do the hardware and data requirements for fine-tuning PLMs. Therefore, the researchers have come up with a lighter method called \textit{Prompt Learning}. However, during the…

We investigate large-scale latent variable models (LVMs) for neural story generation -- an under-explored application for open-domain long text -- with objectives in two threads: generation effectiveness and controllability. LVMs,…

Generative models have demonstrated substantial promise in Natural Language Processing (NLP) and have found application in designing molecules, as seen in General Pretrained Transformer (GPT) models. In our efforts to develop such a tool…

Latent variable models have been playing a central role in psychometrics and related fields. In many modern applications, the inference based on latent variable models involves one or several of the following features: (1) the presence of…

De novo drug design requires simultaneously generating novel molecules outside of training data and predicting their target properties, making it a hard task for generative models. To address this, we propose Joint Transformer that combines…

We propose a novel class of language models, Latent Thought Models (LTMs), which incorporate explicit latent thought vectors that follow an explicit prior model in latent space. These latent thought vectors guide the autoregressive…

The Transformer model, renowned for its powerful attention mechanism, has achieved state-of-the-art performance in various artificial intelligence tasks but faces challenges such as high computational cost and memory usage. Researchers are…