相关论文: Llama-Affinity: A Predictive Antibody Antigen Bind…

Therapeutic antibodies have been extensively studied in drug discovery and development in the past decades. Antibodies are specialized protective proteins that bind to antigens in a lock-to-key manner. The binding strength/affinity between…

Pre-training Large Language Models (LLMs) on web-scale datasets becomes fundamental for advancing general-purpose AI. In contrast, enhancing their predictive performance on downstream tasks typically involves adapting their knowledge…

Continual pre-training (CPT) has been an important approach for adapting language models to specific domains or tasks. To make the CPT approach more traceable, this paper presents a technical report for continually pre-training Llama-3…

As large language models (LLMs) move from research prototypes to enterprise systems, their security vulnerabilities pose serious risks to data privacy and system integrity. This study benchmarks various Llama model variants against the…

The anti-cancer immune response relies on the bindings between T-cell receptors (TCRs) and antigens, which elicits adaptive immunity to eliminate tumor cells. This ability of the immune system to respond to novel various neoantigens arises…

Purpose: Immunotherapies have revolutionized the landscape of cancer treatments. However, our understanding of response patterns in advanced cancers treated with immunotherapy remains limited. By leveraging routinely collected noninvasive…

Accurate prediction of surgical duration is pivotal for hospital resource management. Although recent supervised learning approaches-from machine learning (ML) to fine-tuned large language models (LLMs)-have shown strong performance, they…

We describe the accurate prediction of ligand-protein interaction (LPI) affinities, also known as drug-target interactions (DTI), with instruction fine-tuned pretrained generative small language models (SLMs). We achieved accurate…

The integration of artificial intelligence into various domains is rapidly increasing, with Large Language Models (LLMs) becoming more prevalent in numerous applications. This work is included in an overall project which aims to train an…

When our immune system encounters foreign antigens (i.e., from pathogens), the B cells that produce our antibodies undergo a cyclic process of proliferation, mutation, and selection, improving their ability to bind to the specific antigen.…

Small open-source language models are gaining attention for healthcare applications in low-resource settings where cloud infrastructure and GPU hardware may be unavailable. However, the reliability of these models under different phrasings…

Prompt injection attacks exploit vulnerabilities in large language models (LLMs) to manipulate the model into unintended actions or generate malicious content. As LLM integrated applications gain wider adoption, they face growing…

Identification of high affinity drug-target interactions is a major research question in drug discovery. Proteins are generally represented by their structures or sequences. However, structures are available only for a small subset of…

We attempt to set a mathematical foundation of immunology and amino acid chains. To measure the similarities of these chains, a kernel on strings is defined using only the sequence of the chains and a good amino acid substitution matrix…

This study aims to develop a deep learning model for predicting the binding affinity of ligands targeting the Peroxisome Proliferator-Activated Receptor (PPAR) family, using 2D molecular descriptors. A dataset of 3,764 small molecules with…

The machine learning community has witnessed impressive advancements since large language models (LLMs) first appeared. Yet, their massive memory consumption has become a significant roadblock to large-scale training. For instance, a 7B…

Structure based ligand discovery is one of the most successful approaches for augmenting the drug discovery process. Currently, there is a notable shift towards machine learning (ML) methodologies to aid such procedures. Deep learning has…

We investigate the potential of patent data for improving the antibody humanness prediction using a multi-stage, multi-loss training process. Humanness serves as a proxy for the immunogenic response to antibody therapeutics, one of the…

Prompt injection attacks, where untrusted data contains an injected prompt to manipulate the system, have been listed as the top security threat to LLM-integrated applications. Model-level prompt injection defenses have shown strong…

Biological datasets amenable to applied machine learning are more available today than ever before, yet they lack adequate representation in the Data-for-Good community. Here we present a work in progress case study performing analysis on…