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We describe a new algorithm for simulating complex Markoff-processes. We have used a reaction-cell method in order to simulate arbitrary reactions. It can be used for any kind of RDS on arbitrary topologies, including fractal dimensions or…
Recently, mobile manipulation has attracted increasing attention for enabling language-conditioned robotic control in household tasks. However, existing methods still face challenges in coordinating mobile base and manipulator, primarily…
Molecular communication via diffusion (MCvD) is a method of achieving nano- and micro-scale connectivity by utilizing the free diffusion mechanism of information molecules. The randomness in diffusive propagation is the main cause of…
Molecular dynamics (MD) simulations can model the interactions between macromolecules with high spatiotemporal resolution but at a high computational cost. By combining high-throughput MD with Markov state models (MSMs), it is now possible…
Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…
Smoothed dissipative particle dynamics (SDPD) is a widely used particle-based method for modelling soft matter systems at mesoscopic and macroscopic scales, offering thermodynamic consistency and direct control over the fluid's transport…
Artificial neural networks, especially recent diffusion-based models, have shown remarkable superiority in gaming, control, and QA systems, where the training tasks' datasets are usually static. However, in real-world applications, such as…
Mass-conserving reaction-diffusion (MCRD) systems are widely used to model phase separation and pattern formation in cell polarity, biomolecular condensates, and ecological systems. Numerical simulations and formal asymptotic analysis…
This paper presents RDCSim, an interactive simulator for reaction--diffusion chemistry (RDC) research, being developed as part of an ongoing project studying how humans interact with unconventional computing systems. While much research…
Image generation based on diffusion models has demonstrated impressive capability, motivating exploration into diverse and specialized applications. Owing to the importance of emotion in advertising, emotion-oriented image generation has…
Coarse-grained, mesoscale simulations are invaluable for studying soft condensed matter because of their ability to model systems in which a background solvent plays a significant role but is not the primary interest. Such methods generally…
Molecular dynamics (MD) simulations are essential for understanding biomolecular systems but remain challenging to automate. Recent advances in large language models (LLM) have demonstrated success in automating complex scientific tasks…
Autoregressive models (ARMs) and diffusion models (DMs) represent two leading paradigms in generative modeling, each excelling in distinct areas: ARMs in global context modeling and long-sequence generation, and DMs in generating…
Spatial gradients of diffusible signalling molecules play crucial roles in controlling diverse cellular behaviour such as cell differentiation, tissue patterning and chemotaxis. In this paper, we report the design and testing of a…
Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…
Molecular communication (MC) is a concept in communication engineering, where diffusive molecules are used to transmit information between nano or micro-scale chemical reaction systems. Engineering MC to control the reaction systems in…
Emotion serves as an essential component in daily human interactions. Existing human motion generation frameworks do not consider the impact of emotions, which reduces naturalness and limits their application in interactive tasks, such as…
Molecular communication (MC) is a kind of communication technology based on biochemical molecules for internet of bio-nano things, in which the biochemical molecule is used as the information carrier for the interconnection of nano-devices.…
With the success of Diffusion Models for image generation, the technologies also have revolutionized the aesthetic Quick Response (QR) code generation. Despite significant improvements in visual attractiveness for the beautified codes,…
Reaction-diffusion processes are the foundational model for a diverse range of complex systems, ranging from biochemical reactions to social agent-based phenomena. The underlying dynamics of these systems occur at the individual…