相关论文: OmegAMP: Targeted AMP Discovery through Biological…

One of the key requirements for incorporating machine learning into the drug discovery process is complete reproducibility and traceability of the model building and evaluation process. With this in mind, we have developed an end-to-end…

We introduce a novel approach to automatic unstructured mesh generation using machine learning to predict an optimal finite element mesh for a previously unseen problem. The framework that we have developed is based around training an…

Infectious diseases continue to pose a serious threat to public health, underscoring the urgent need for effective computational approaches to screen novel anti-infective agents. Oligopeptides have emerged as promising candidates in…

Approximate message passing (AMP) is a low-cost iterative parameter-estimation technique for certain high-dimensional linear systems with non-Gaussian distributions. However, AMP only applies to independent identically distributed (IID)…

This paper introduces Multi-population Ensemble Genetic Programming (MEGP), a computational intelligence framework that integrates cooperative coevolution and the multiview learning paradigm to address classification challenges in…

Antimicrobial resistance (AMR) poses a mounting global health crisis, requiring rapid and reliable prediction frameworks that capture its complex evolutionary dynamics. Traditional antimicrobial susceptibility testing (AST), while accurate,…

Designing molecular structures with desired chemical properties is an essential task in drug discovery and material design. However, finding molecules with the optimized desired properties is still a challenging task due to combinatorial…

Data scarcity in pharmaceutical research has led to reliance on labour-intensive trial-and-error approaches for development rather than data-driven methods. While Machine Learning offers a solution, existing datasets are often small and…

Exposure correction is a fundamental problem in computer vision and image processing. Recently, frequency domain-based methods have achieved impressive improvement, yet they still struggle with complex real-world scenarios under extreme…

The identification of reproducible biological patterns from high-dimensional data is a bottleneck for understanding the biology of complex illnesses such as schizophrenia. To address this, we developed a biologically informed, multi-stage…

Structural biology has made significant progress in determining membrane proteins, leading to a remarkable increase in the number of available structures in dedicated databases. The inherent complexity of membrane protein structures,…

Biomarker discovery is vital in advancing personalized medicine, offering insights into disease diagnosis, prognosis, and therapeutic efficacy. Traditionally, the identification and validation of biomarkers heavily depend on extensive…

In this paper, we address the task of semantic-guided image generation. One challenge common to most existing image-level generation methods is the difficulty in generating small objects and detailed local textures. To address this, in this…

Global climate change has reduced crop resilience and pesticide efficacy, making reliance on synthetic pesticides inevitable, even though their widespread use poses significant health and environmental risks. While these pesticides remain a…

Intelligent Mesh Generation (IMG) represents a novel and promising field of research, utilizing machine learning techniques to generate meshes. Despite its relative infancy, IMG has significantly broadened the adaptability and practicality…

Traditional drug design faces significant challenges due to inherent chemical and biological complexities, often resulting in high failure rates in clinical trials. Deep learning advancements, particularly generative models, offer potential…

Antimicrobial resistance is a silent pandemic that is being exacerbated by the uncontrolled use of antibiotics. Since the discovery of penicillin, we have been largely dependent on microbe-derived small molecules to treat bacterial…

This paper presents IMAGGarment, a fine-grained garment generation (FGG) framework that enables high-fidelity garment synthesis with precise control over silhouette, color, and logo placement. Unlike existing methods that are limited to…

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…

Generating novel molecules with out-of-distribution properties is a major challenge in molecular discovery. While supervised learning methods generate high-quality molecules similar to those in a dataset, they struggle to generalize to…