9 accepted papers
Molecular assembly (MA) has long been a fundamental task in chemistry and biology, with the potential to create new materials and enable novel functions beyond the molecular scale. However, its vast conformational search space poses substantial challenges, and current generative models remain limite
Blind image quality assessment (BIQA) methods often incorporate auxiliary tasks to improve performance. However, existing approaches face limitations due to insufficient integration and a lack of flexible uncertainty estimation, leading to suboptimal performance. To address these challenges, we prop
Simulation of cellular morphology change has long been a fundamental task in quantitative biology and high-throughput screening, with the potential to accelerate therapeutic development and elucidate disease mechanisms beyond empirical clinical practice. However, the vast perturbation space poses ch
Existing large language model (LLM) agents for automating data science show promise, but they remain constrained by narrow task scopes, limited generalization across tasks and models, and over-reliance on state-of-the-art (SOTA) LLMs. We introduce DatawiseAgent, a notebook-centric LLM agent framewor
Coarse-grained (CG) molecular dynamics of proteins is a preferred approach to studying large molecules on extended time scales by condensing the entire atomic model into a limited number of pseudo-atoms and preserving the thermodynamic properties of the system. However, the significantly increased e…
The actual collection of tabular data for sharing involves confidentiality and privacy constraints, leaving the potential risks of machine learning for interventional data analysis unsafely averted. Synthetic data has emerged recently as a privacy-protecting solution to address this challenge. Howev…
Functional connectivity (FC) graph analysis is an important method for diagnosing brain disorders using functional magnetic resonance imaging (fMRI). Existing FC graph diagnosis approaches preprocess the brain by dividing it into specific regions using atlases. However, relying on a single atlas exc…
Events refer to specific occurrences, incidents, or happenings that take place under a particular background. Event reasoning aims to infer events according to certain relations and predict future events. The cutting-edge techniques for event reasoning play a crucial role in various natural language…
Vertical federated learning (VFL) is a distributed machine learning paradigm that collaboratively trains models using passive parties with features and an active party with additional labels. While VFL offers privacy preservation through data localization, the threat of label leakage remains a signi…