相关论文: SafeProtein: Red-Teaming Framework and Benchmark f…

The effects of ligand binding on protein structures and their in vivo functions carry numerous implications for modern biomedical research and biotechnology development efforts such as drug discovery. Although several deep learning (DL)…

Red-teaming is a core part of the infrastructure that ensures that AI models do not produce harmful content. Unlike past technologies, the black box nature of generative AI systems necessitates a uniquely interactional mode of testing, one…

Tandem mass spectrometry provides a high-throughput framework for identifying and quantifying proteins in complex biological samples. In computational proteomics, predicting peptide MS/MS spectra is a critical task, enabling downstream…

Consistency and reliability are crucial for conducting AI research. Many famous research fields, such as object detection, have been compared and validated with solid benchmark frameworks. After AlphaFold2, the protein folding task has…

The characterization of drug-protein interactions is crucial in the high-throughput screening for drug discovery. The deep learning-based approaches have attracted attention because they can predict drug-protein interactions without…

Large self-supervised models pretrained on millions of protein sequences have recently gained popularity in generating embeddings of protein sequences for protein function prediction. However, the absence of random baselines makes it…

The rapid advancement of Vision-Language Models (VLMs) has brought their safety vulnerabilities into sharp focus. However, existing red teaming methods are fundamentally constrained by an inherent linear exploration paradigm, confining them…

Proteins play essential roles in nature, from catalyzing biochemical reactions to binding specific targets. Advances in protein engineering have the potential to revolutionize biotechnology and healthcare by designing proteins with tailored…

Increasingly sophisticated mathematical modelling processes from Machine Learning are being used to analyse complex data. However, the performance and explainability of these models within practical critical systems requires a rigorous and…

Automated methods for red teaming LLMs are an important tool to identify LLM vulnerabilities that may not be covered in static benchmarks, allowing for more thorough probing. They can also adapt to each specific LLM to discover weaknesses…

Systematic identification of protein function is a key problem in current biology. Most traditional methods fail to identify functionally equivalent proteins if they lack similar sequences, structural data or extensive manual annotations.…

Automated red teaming holds substantial promise for uncovering and mitigating the risks associated with the malicious use of large language models (LLMs), yet the field lacks a standardized evaluation framework to rigorously assess new…

Recently, extensive deep learning architectures and pretraining strategies have been explored to support downstream protein applications. Additionally, domain-specific models incorporating biological knowledge have been developed to enhance…

As large language models are integrated into society, robustness toward a suite of prompts is increasingly important to maintain reliability in a high-variance environment.Robustness evaluations must comprehensively encapsulate the various…

Background:Typically, proteins perform key biological functions by interacting with each other. As a consequence, predicting which protein pairs interact is a fundamental problem. Experimental methods are slow, expensive, and may be error…

Accurate blind docking has the potential to lead to new biological breakthroughs, but for this promise to be realized, docking methods must generalize well across the proteome. Existing benchmarks, however, fail to rigorously assess…

Despite recent advancements in deep learning methods for protein structure prediction and representation, little focus has been directed at the simultaneous inclusion and prediction of protein backbone and sidechain structure information.…

Protein design often begins with the knowledge of a desired function from a motif which motif-scaffolding aims to construct a functional protein around. Recently, generative models have achieved breakthrough success in designing scaffolds…

In recent years, there has been a surge in the development of 3D structure-based pre-trained protein models, representing a significant advancement over pre-trained protein language models in various downstream tasks. However, most existing…

Proteins are macromolecules that mediate a significant fraction of the cellular processes that underlie life. An important task in bioengineering is designing proteins with specific 3D structures and chemical properties which enable…