相关论文: ProteinGuide: On-the-fly property guidance for pro…

Sequential dependencies present a fundamental bottleneck in deploying large-scale autoregressive models, particularly for real-time applications. While traditional optimization approaches like pruning and quantization often compromise model…

A critical challenge in contemporary sports science lies in filling the gap between group-level insights derived from controlled hypothesis-driven experiments and the real-world need for personalized coaching tailored to individual…

Prompt tuning has become a new paradigm for model tuning and it has demonstrated success in natural language pretraining and even vision pretraining. In this work, we explore the transfer of prompt tuning to multimodal pretraining, with a…

For domains that involve numerical simulation, it can be computationally expensive to run an ensemble of simulations spanning a parameter space of interest to a user. To this end, an attractive surrogate for simulation is the generative…

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing…

Although machine learning has been successfully used to propose novel molecules that satisfy desired properties, it is still challenging to explore a large chemical space efficiently. In this paper, we present a conditional molecular design…

In this paper, we present a methodology for constructing data-driven maneuver generation models for agile aircraft that can generalize across a wide range of trim conditions and aircraft model parameters. Maneuver generation models play a…

The core challenge of de novo protein design lies in creating proteins with specific functions or properties, guided by certain conditions. Current models explore to generate protein using structural and evolutionary guidance, which only…

Unlocking the next generation of biotechnology and therapeutic innovation demands overcoming the inherent complexity and resource-intensity of conventional protein engineering methods. Recent GenAI-powered computational techniques often…

Existing approaches to controllable generation typically rely on fine-tuning, auxiliary networks, or test-time search. We show that flow matching admits a different control interface: adaptation through examples. For deterministic…

Directed evolution is a versatile technique in protein engineering that mimics the process of natural selection by iteratively alternating between mutagenesis and screening in order to search for sequences that optimize a given property of…

Developing accurate and efficient coarse-grained representations of proteins is crucial for understanding their folding, function, and interactions over extended timescales. Our methodology involves simulating proteins with molecular…

Recent advances in diffusion models have significantly improved text-to-face generation, but achieving fine-grained control over facial features remains a challenge. Existing methods often require training additional modules to handle…

Proteins control many vital functions in living cells, such as cell growth and cell division. Reliable coordination of these functions requires the spatial and temporal organizaton of proteins inside cells, which encodes information about…

Recent advances in diffusion models bring new vitality to visual content creation. However, current text-to-video generation models still face significant challenges such as high training costs, substantial data requirements, and…

Here we present a novel approach to protein design and phenotypic inference using a generative model for protein sequences. BioSeqVAE, a variational autoencoder variant, can hallucinate syntactically valid protein sequences that are likely…

Recent applications of machine learning, in particular deep learning, motivate the need to address the generalizability of the statistical inference approaches in physical sciences. In this letter, we introduce a modular physics guided…

The goal of structure-based drug discovery is to find small molecules that bind to a given target protein. Deep learning has been used to generate drug-like molecules with certain cheminformatic properties, but has not yet been applied to…

Language models often achieve higher accuracy when reasoning step-by-step in complex tasks. However, even when arriving at a correct final answer, their rationales are often logically unsound or inconsistent. This is a major issue when…

Diffusion models can be improved with additional guidance towards more effective representations of input. Indeed, prior empirical work has already shown that aligning internal representations of the diffusion model with those of…