相关论文: Biosensor Arrays for Estimating Molecular Concentr…

In this paper, a novel fluid dynamics-based approach to channel modeling, which considers liquid droplets as information carriers instead of molecules in the molecular communication (MC) channel, is proposed for practical macroscale MC…

We propose a framework using normalizing-flow based models, SELF-Referencing Embedded Strings, and multi-objective optimization that efficiently generates small molecules. With an initial training set of only 100 small molecules, FastFlows…

A recently introduced particle-based model for fluid dynamics with continuous velocities is generalized to model fluids with excluded volume effects. This is achieved through the use of biased stochastic multi-particle collisions which…

Particle methods play an important role in computational fluid dynamics, but they are among the most difficult to implement and solve. The most common method is smoothed particle hydrodynamics, which is suitable for problem settings that…

The curvature sensitive localization of proteins on membranes is vital for many cell biological processes. Coarse-grained models are routinely employed to study the curvature sensing phenomena and membrane morphology at the length scale of…

Large-scale environmental sensing with a finite number of mobile sensors is a challenging task that requires a lot of resources and time. This is especially true when features in the environment are spatiotemporally changing with unknown or…

Inferring dynamical models from low-resolution temporal data continues to be a significant challenge in biophysics, especially within transcriptomics, where separating molecular programs from noise remains an important open problem. We…

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the…

Populations of heterogeneous cells play an important role in many biological systems. In this paper we consider systems where each cell can be modelled by an ordinary differential equation. To account for heterogeneity, parameter values are…

In this paper, we explore osmotic transport by means of molecular dynamics (MD) simulations. We first consider osmosis through a membrane, and investigate the reflection coefficient of an imperfectly semi-permeable membrane, in the dilute…

Electrostatic forces play many important roles in molecular biology, but are hard to model due to the complicated interactions between biomolecules and the surrounding solvent, a fluid composed of water and dissolved ions. Continuum model…

A fully bio-inspired apparatus to perform non-spectroscopic sensing to discriminate, and determine the constituent concentrations of a chemical mixture is proposed. Here, fully bio-inspired means that it is comprised of a biomimetic sensor…

Flow matching has recently emerged as a principled framework for learning continuous-time transport maps, enabling efficient ODE-based sampling without relying on stochastic diffusion processes. While generative modeling has shown promise…

Mechanical contributions are crucial regulators of diverse biological processes, yet their \textit{in vivo} measurement remains challenging due to limitations of current techniques, that can be destructive or require complex dedicated…

We review recent advances in the design, synthesis, and modeling of active fluids. Active fluids have been at the center of many technological innovations and theoretical advances over the past two decades. Research on this new class of…

Event cameras are novel bio-inspired sensors that offer advantages over traditional cameras (low latency, high dynamic range, low power, etc.). Optical flow estimation methods that work on packets of events trade off speed for accuracy,…

Diffusion models create data from noise by inverting the forward paths of data towards noise and have emerged as a powerful generative modeling technique for high-dimensional, perceptual data such as images and videos. Rectified flow is a…

Understanding the behavior of biomolecules such as proteins requires understanding the critical influence of the surrounding fluid (solvent) environment--water with mobile salt ions such as sodium. Unfortunately, for many studies, fully…

Generating new molecules is fundamental to advancing critical applications such as drug discovery and material synthesis. Flows can generate molecules effectively by inverting the encoding process, however, existing flow models either…

Rich data and powerful machine learning models allow us to design drugs for a specific protein target \textit{in silico}. Recently, the inclusion of 3D structures during targeted drug design shows superior performance to other target-free…