Related papers: Lightweight MSA Design Advances Protein Folding Fr…
This work introduces JEMA (Joint Embedding with Multimodal Alignment), a novel co-learning framework tailored for laser metal deposition (LMD), a pivotal process in metal additive manufacturing. As Industry 5.0 gains traction in industrial…
Protein folding is one of the age-old biological problems that refers to the mechanism of understanding and predicting how a protein's linear sequence of amino acids folds into its specific three dimensional structure.This structure is…
Multivariate time series forecasting (MTSF) aims to learn temporal dynamics among variables to forecast future time series. Existing statistical and deep learning-based methods suffer from limited learnable parameters and small-scale…
With the booming of Large Language Models (LLMs), prompt-learning has become a promising method mainly researched in various research areas. Recently, many attempts based on prompt-learning have been made to improve the performance of text…
Small molecule drug design hinges on obtaining co-crystallized ligand-protein structures. Despite AlphaFold2's strides in protein native structure prediction, its focus on apo structures overlooks ligands and associated holo structures.…
Semi-supervised learning methods have been explored in medical image segmentation tasks due to the scarcity of pixel-level annotation in the real scenario. Proto-type alignment based consistency constraint is an intuitional and plausible…
Robust machine learning for regulatory genomics is studied under biologically and technically induced distribution shifts. Deep convolutional and attention based models achieve strong in distribution performance on DNA regulatory sequence…
Evolutionary algorithms (EAs) have proven effective in exploring the vast solution spaces typical of graph-structured combinatorial problems. However, traditional encoding schemes, such as binary or numerical representations, often fail to…
The rapid evolution of molecular dynamics (MD) methods, including machine-learned dynamics, has outpaced the development of standardized tools for method validation. Objective comparison between simulation approaches is often hindered by…
Merging multiple Low-Rank Adaptation (LoRA) experts into a single backbone is a promising approach for efficient multi-task deployment. While existing methods strive to alleviate interference via weight interpolation or subspace alignment,…
The deployment of large language models (LLMs) is often constrained by their substantial computational and memory demands. While structured pruning presents a viable approach by eliminating entire network components, existing methods suffer…
Accurately predicting protein melting temperature changes (Delta Tm) is fundamental for assessing protein stability and guiding protein engineering. Leveraging multi-modal protein representations has shown great promise in capturing the…
Machine-learning methods in biochemistry commonly represent molecules as graphs of pairwise intermolecular interactions for property and structure predictions. Most methods operate on a single graph, typically the minimal free energy (MFE)…
Low-Rank Adaptation (LoRA) is a widely adopted technique for parameter-efficient fine-tuning, but its slow convergence has spurred the development of numerous variants. Nevertheless, existing methods often fail to improve performance,…
Natural lifeforms specialise to their environmental niches across many levels; from low-level features such as DNA and proteins, through to higher-level artefacts including eyes, limbs, and overarching body plans. We propose Multi-Level…
Spiking Neural Networks (SNNs) have received considerable attention not only for their superiority in energy efficiency with discrete signal processing but also for their natural suitability to integrate multi-scale biological plasticity.…
Developing effective representations of protein structures is essential for advancing protein science, particularly for protein generative modeling. Current approaches often grapple with the complexities of the SE(3) manifold, rely on…
Large Language Models (LLMs) have achieved remarkable progress, with Parameter-Efficient Fine-Tuning (PEFT) emerging as a key technique for downstream task adaptation. However, existing PEFT methods mainly operate in Euclidean space,…
This article discusses the integration of the Artificial Bee Colony (ABC) algorithm with two supervised learning methods, namely Artificial Neural Networks (ANNs) and Adaptive Network-based Fuzzy Inference System (ANFIS), for feature…
A variety of methods have been proposed for structure similarity calculation, which are called structure alignment or superposition. One major shortcoming in current structure alignment algorithms is in their inherent design, which is based…