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Videos are inherently temporal sequences by their very nature. In this work, we explore the potential of modeling videos in a chronological and scalable manner with autoregressive (AR) language models, inspired by their success in natural…

With the emergence of diffusion models as a frontline generative model, many researchers have proposed molecule generation techniques with conditional diffusion models. However, the unavoidable discreteness of a molecule makes it difficult…

Parallel applications with irregular and time-varying workloads often suffer from load imbalance. Dynamic load balancing techniques address this challenge by redistributing work during execution. We present a new type of distributed…

Molecular communications is a promising framework for the design of controlled-release drug delivery systems. In this framework, drug carriers are modeled as transmitters, the diseased cells as absorbing receivers, and the channel between…

Translational diffusion coefficients are routinely estimated from molecular dynamics simulations. Linear fits to mean squared displacement (MSD) curves have become the de facto standard, from simple liquids to complex biomacromolecules.…

Large-scale generative models have achieved remarkable success in a number of domains. However, for sequential decision-making problems, such as robotics, action-labelled data is often scarce and therefore scaling-up foundation models for…

Cross-corpus speech emotion recognition (SER) poses a challenge due to feature distribution mismatch, potentially degrading the performance of established SER methods. In this paper, we tackle this challenge by proposing a novel transfer…

Molecular communication is not only able to mimic biological and chemical communication mechanisms, but also provides a theoretical framework for viral infection processes. In this tutorial, aerosol and droplet transmission is modeled as a…

Reaction-diffusion systems are used to represent many biological and physical phenomena. They model the random motion of particles (diffusion) and interactions between them (reactions). Such systems can be modelled at multiple scales with…

Text-to-motion generation has attracted increasing attention in the research community recently, with potential applications in animation, virtual reality, robotics, and human-computer interaction. Diffusion and autoregressive models are…

The high arithmetic performance and intrinsic parallelism of recent graphical processing units (GPUs) can offer a technological edge for molecular dynamics simulations. ACEMD is a production-class bio-molecular dynamics (MD) simulation…

Existing traffic simulation models often fall short in capturing the intricacies of real-world scenarios, particularly the interactive behaviors among multiple traffic participants, thereby limiting their utility in the evaluation and…

We propose a multiscale computational method for thin-layer flows of complex fluids, termed the synchronized molecular dynamics (SMD) method, which directly couples local molecular dynamics (MD) simulations with a macroscopic lubrication…

Human action-reaction synthesis, a fundamental challenge in modeling causal human interactions, plays a critical role in applications ranging from virtual reality to social robotics. While diffusion-based models have demonstrated promising…

-Molecular simulations allow the study of properties and interactions of molecular systems. This article presents an improved version of the Adaptive Resolution Scheme that links two systems having atomistic (also called fine-grained) and…

We consider molecular communication networks consisting of transmitters and receivers distributed in a fluidic medium. In such networks, a transmitter sends one or more signalling molecules, which are diffused over the medium, to the…

Reinforcement learning (RL) can be formulated as a sequence modeling problem, where models predict future actions based on historical state-action-reward sequences. Current approaches typically require long trajectory sequences to model the…

This paper considers the scenario of a targeted drug delivery system, which consists of deploying a number of biological nanomachines close to a biological target (e.g. a tumor), able to deliver drug molecules in the diseased area. Suitably…

This paper collects the efforts done in our previous works [P. Degond, S. Jin, L. Mieussens, A Smooth Transition Between Kinetic and Hydrodynamic Equations, J. Comp. Phys., 209 (2005) 665--694.],[P.Degond, G. Dimarco, L. Mieussens, A Moving…

A new numerical continuum \textit{one-domain} approach (ODA) solver is presented for the simulation of the transfer processes between a free fluid and a porous medium. The solver is developed in the \textit{mesoscopic} scale framework,…