相关论文: Conditional generation of antibody sequences with …

Motivation: The development of novel compounds targeting proteins of interest is one of the most important tasks in the pharmaceutical industry. Deep generative models have been applied to targeted molecular design and have shown promising…

While diffusion models have achieved great success in generating continuous signals such as images and audio, it remains elusive for diffusion models in learning discrete sequence data like natural languages. Although recent advances…

Antibodies, crucial for immune defense, primarily rely on complementarity-determining regions (CDRs) to bind and neutralize antigens, such as viruses. The design of these CDRs determines the antibody's affinity and specificity towards its…

In quantum many-body systems, measurements can induce qualitative new features, but their simulation is hindered by the exponential complexity involved in sampling the measurement results. We propose to use machine learning to assist the…

Adeno-associated viral (AAV) vectors are widely used delivery platforms in gene therapy, and the design of improved capsids is key to expanding their therapeutic potential. A central challenge in AAV bioengineering, as in protein design…

Language-driven image segmentation is a fundamental task in vision-language understanding, requiring models to segment regions of an image corresponding to natural language expressions. Traditional methods approach this as a discriminative…

Recent advances in generative deep learning have transformed small molecule design, but most methods lack biological systems context, focusing narrowly on specific protein pockets. We introduce a non-differentiable diffusion guidance method…

We introduce a novel framework that transforms the resource-intensive (adversarial) prompt optimization problem into an \emph{efficient, amortized inference task}. Our core insight is that pretrained, non-autoregressive generative LLMs,…

Denoising diffusion probabilistic models have recently received much research attention since they outperform alternative approaches, such as GANs, and currently provide state-of-the-art generative performance. The superior performance of…

We develop VSD, a method for conditioning a generative model of discrete, combinatorial designs on a rare desired class by efficiently evaluating a black-box (e.g. experiment, simulation) in a batch sequential manner. We call this task…

This paper introduces a novel framework for DNA sequence generation, comprising two key components: DiscDiff, a Latent Diffusion Model (LDM) tailored for generating discrete DNA sequences, and Absorb-Escape, a post-training algorithm…

We introduce AbDiffuser, an equivariant and physics-informed diffusion model for the joint generation of antibody 3D structures and sequences. AbDiffuser is built on top of a new representation of protein structure, relies on a novel…

Text-to-image diffusion models exhibit strong generative performance but remain highly sensitive to prompt formulation, often requiring extensive manual trial and error to obtain satisfactory results. This motivates the development of…

Large Language Models (LLMs) have demonstrated remarkable capabilities in code generation. However, the quality of the generated code is heavily dependent on the structure and composition of the prompts used. Crafting high-quality prompts…

Abstract Recent advances in immunology and synthetic biology have accelerated the development of deep generative methods for DNA sequence design. Two dominant approaches in this field are AutoRegressive (AR) models and Diffusion Models…

Generative machine learning models offer a powerful framework for therapeutic design by efficiently exploring large spaces of biological sequences enriched for desirable properties. Unlike supervised learning methods, which require both…

Can continuous diffusion models bring the same performance breakthrough on natural language they did for image generation? To circumvent the discrete nature of text data, we can simply project tokens in a continuous space of embeddings, as…

Deep generative models have been applied with increasing success to the generation of two dimensional molecules as SMILES strings and molecular graphs. In this work we describe for the first time a deep generative model that can generate 3D…

Recent advancements in text-to-image diffusion models have yielded impressive results in generating realistic and diverse images. However, these models still struggle with complex prompts, such as those that involve numeracy and spatial…

Diffusion-based language models (dLLMs) have emerged as a promising alternative to autoregressive language models, offering the potential for parallel token generation and bidirectional context modeling. However, harnessing this flexibility…