相关论文: SCOPE-DTI: Semi-Inductive Dataset Construction and…

In the medical domain, acquiring large datasets poses significant challenges due to privacy concerns. Nonetheless, the development of a robust deep-learning model for retinal disease diagnosis necessitates a substantial dataset for…

In this work, we present a novel machine learning framework called Self-Directed Task Identification (SDTI), which enables models to autonomously identify the correct target variable for each dataset in a zero-shot setting without…

Background: In silico drug-target interaction (DTI) prediction plays an integral role in drug repositioning: the discovery of new uses for existing drugs. One popular method of drug repositioning is network-based DTI prediction, which uses…

We propose an end-to-end model to predict drug-drug interactions (DDIs) by employing graph-augmented convolutional networks. And this is implemented by combining graph CNN with an attentive pooling network to extract structural relations…

The kinetics and dynamics of drug-protein binding and dissociation are crucial to understanding drug absorption and metabolism. Despite advances in artificial intelligence (AI) tools for drug-protein interaction studies, existing training…

Cancer drug response prediction (DRP) models present a promising approach towards precision oncology, tailoring treatments to individual patient profiles. While deep learning (DL) methods have shown great potential in this area, models that…

Prescriptive Process Monitoring (PresPM) recommends interventions during business processes to optimize key performance indicators (KPIs). In realistic settings, interventions are rarely isolated: organizations need to align sequences of…

High Content Screening (HCS) microscopy datasets have transformed the ability to profile cellular responses to genetic and chemical perturbations, enabling cell-based inference of drug-target interactions (DTI). However, the adoption of…

Predicting the physical interaction of proteins is a cornerstone problem in computational biology. New classes of learning-based algorithms are actively being developed, and are typically trained end-to-end on protein complex structures…

Structure-Based Drug Design (SBDD) has revolutionized drug discovery by enabling the rational design of molecules for specific protein targets. Despite significant advancements in improving docking scores, advanced 3D-SBDD generative models…

Diffusion- and flow-based policies deliver state-of-the-art performance on long-horizon robotic manipulation and imitation learning tasks. However, these controllers employ a fixed inference budget at every control step, regardless of task…

Accurately predicting drug-target binding affinity (DTA) in silico is a key task in drug discovery. Most of the conventional DTA prediction methods are simulation-based, which rely heavily on domain knowledge or the assumption of having the…

Preventable adverse events as a result of medical errors present a growing concern in the healthcare system. As drug-drug interactions (DDIs) may lead to preventable adverse events, being able to extract DDIs from drug labels into a…

Accurate molecular subtype classification is essential for personalized breast cancer treatment, yet conventional immunohistochemical analysis relies on invasive biopsies and is prone to sampling bias. Although dynamic contrast-enhanced…

Depth completion plays a vital role in 3D perception systems, especially in scenarios where sparse depth data must be densified for tasks such as autonomous driving, robotics, and augmented reality. While many existing approaches rely on…

Drug combinations offer therapeutic benefits but also carry the risk of adverse drug-drug interactions (DDIs), especially under complex molecular structures. Accurate DDI event prediction requires capturing fine-grained inter-drug…

The prediction of protein interactions (CPIs) is crucial for the in-silico screening step in drug discovery. Recently, many end-to-end representation learning methods using deep neural networks have achieved significantly better performance…

Large code models (LCMs), pre-trained on vast code corpora, have demonstrated remarkable performance across a wide array of code-related tasks. Supervised fine-tuning (SFT) plays a vital role in aligning these models with specific…

Detecting interaction effects among predictors on the response variable is a crucial step in various applications. In this paper, we first propose a simple method for sure screening interactions (SSI). Although its computation complexity is…

In an era where symbolic mathematical equations are indispensable for modeling complex natural phenomena, scientific inquiry often involves collecting observations and translating them into mathematical expressions. Recently, deep learning…