Related papers: iMOLSDOCK : induced-fit docking using mutually ort…

Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Cross-modal alignment is an important multi-modal task, aiming to bridge the semantic gap between different modalities. The most reliable fundamention for achieving this objective lies in the semantic consistency between matched pairs.…

The analysis of spatial data from biological imaging technology, such as imaging mass spectrometry (IMS) or imaging mass cytometry (IMC), is challenging because of a competitive sampling process which convolves signals from molecules in a…

All-atom, force field-based molecular dynamics simulations are essential tools in computational chemistry, enabling the prediction and analysis of biomolecular systems with atomic-level resolution. However, as system sizes and simulation…

Existing integrated sensing and communication (ISAC) platforms fail to fully utilize the shared spectrum and aperture resources for sensing, resulting in poor sensing performance. Specifically, weak target sensing on the ISAC platform, such…

We propose a multiscale method for mixed-dimensional elliptic problems with highly heterogeneous coefficients arising, for example, in the modeling of fractured porous media. The method is based on the Localized Orthogonal Decomposition…

Predicting interactions between biomolecules, such as protein-protein complexes, remains a challenging problem. Despite the many advancements done so far, the performances of docking protocols are deeply dependent on their capability of…

In this paper, we propose a practical adaptive coding modulation scheme to approach the capacity of free-space optical (FSO) channels with intensity modulation/direct detection based on probabilistic shaping. The encoder efficiently adapts…

This paper presents a motion analysis framework for an athlete wearing sport-specific flexible prosthesis based on the soft-rigid hybrid-link system. Such a motion analysis is a challenging problem because we need to consider the…

Grasping, in both biological and engineered mechanisms, can be highly sensitive to the gripper and object morphology, as well as perception, and motion planning. Here we circumvent the need for feedback or precise planning by using an array…

Recent advances in large language models (LLMs) have led to models that tackle diverse molecular tasks, such as chemical reaction prediction and molecular property prediction. Large-scale molecular instruction-tuning datasets have enabled…

The rapid development of autonomous driving and mobile mapping calls for off-the-shelf LiDAR SLAM solutions that are adaptive to LiDARs of different specifications on various complex scenarios. To this end, we propose MULLS, an efficient,…

This paper investigates flexible beamforming design in an integrated sensing and communication (ISAC) network with movable antennas (MAs). A bistatic radar system is integrated into a multi-user multiple-input-single-output (MU-MISO)…

Recent advancements in protein docking site prediction have highlighted the limitations of traditional rigid docking algorithms, like PIPER, which often neglect critical stochastic elements such as solvent-induced fluctuations. These…

Multimodal Fusion Learning (MFL), leveraging disparate data from various imaging modalities (e.g., MRI, CT, SPECT), has shown great potential for addressing medical problems such as skin cancer and brain tumor prediction. However, existing…

We propose a novel and interpretable embedding method to represent the international statistical classification codes of diseases and related health problems (i.e., ICD codes). This method considers a self-attention mechanism within the…

Effectively integrating molecular graph structures with Large Language Models (LLMs) is a key challenge in drug discovery. Most existing multi-modal alignment methods typically process these structures by fine-tuning the LLM or adding a…

We develop a family of techniques to align word embeddings which are derived from different source datasets or created using different mechanisms (e.g., GloVe or word2vec). Our methods are simple and have a closed form to optimally rotate,…

Integrating multiple LiDAR sensors can significantly enhance a robot's perception of the environment, enabling it to capture adequate measurements for simultaneous localization and mapping (SLAM). Indeed, solid-state LiDARs can bring in…

Proteins play crucial roles in every cellular process by interacting with each other, with nucleic acids, metabolites, and other molecules. The resulting assemblies can be very large and intricate and pose challenges to experimental…