相关论文: Neural Modular Physics for Elastic Simulation

Simulating complex dynamics like fluids with traditional simulators is computationally challenging. Deep learning models have been proposed as an efficient alternative, extending or replacing parts of traditional simulators. We investigate…

Finding the distribution of the velocities and pressures of a fluid by solving the Navier-Stokes equations is a principal task in the chemical, energy, and pharmaceutical industries, as well as in mechanical engineering and the design of…

Euler's elastica is a classical model of flexible slender structures, relevant in many industrial applications. Static equilibrium equations can be derived via a variational principle. The accurate approximation of solutions of this problem…

While molecular dynamics (MD) is a very useful computational method for atomistic simulations, modeling the interatomic interactions for reliable MD simulations of real materials has been a long-standing challenge. In 2007, Behler and…

Electrolyte solutions play critical role in a vast range of important applications, yet an accurate and scalable method of predicting their properties without fitting to experiment has remained out of reach, despite over a century of…

Model predictive control can achieve significant energy savings, offer grid flexibility, and mitigate carbon emissions. However, the challenge of identifying individual control-oriented building dynamic models limits large-scale real-world…

Machine learning potentials have achieved great success in accelerating atomistic simulations. Many of them relying on atom-centered local descriptors are natural for parallelization. More recent message passing neural network (MPNN) models…

Near-Periodic Patterns (NPP) are ubiquitous in man-made scenes and are composed of tiled motifs with appearance differences caused by lighting, defects, or design elements. A good NPP representation is useful for many applications including…

This paper introduces the Modular Neural Computer (MNC), a memory-augmented neural architecture for exact algorithmic computation on variable-length inputs. The model combines an external associative memory of scalar cells, explicit read…

Parametric human body models play a crucial role in computer graphics and vision, enabling applications ranging from human motion analysis to understanding human-environment interactions. Traditionally, these models use surface meshes,…

Neural operators, serving as physics surrogate models, have recently gained increased interest. With ever increasing problem complexity, the natural question arises: what is an efficient way to scale neural operators to larger and more…

Motion planning (MP) is one of the core robotics problems requiring fast methods for finding a collision-free robot motion path connecting the given start and goal states. Neural motion planners (NMPs) demonstrate fast computational speed…

Machine learning force fields offer the ability to simulate biomolecules with quantum mechanical accuracy while significantly reducing computational costs, attracting growing attention in biophysics. Meanwhile, leveraging the efficiency of…

We present a general procedure to introduce electronic polarization into classical Molecular Dynamics (MD) force-fields using a Neural Network (NN) model. We apply this framework to the simulation of a solid-liquid interface where the…

Machine learning algorithms, and more in particular neural networks, arguably experience a revolution in terms of performance. Currently, the best systems we have for speech recognition, computer vision and similar problems are based on…

Machine learning interatomic potentials (MLIPs) have become widely used tools in atomistic simulations. For much of the history of this field, the most commonly employed architectures were based on short-ranged atomic energy contributions,…

Neuromorphic devices represent an attempt to mimic aspects of the brain's architecture and dynamics with the aim of replicating its hallmark functional capabilities in terms of computational power, robust learning and energy efficiency. We…

Nonlinear plastic modes (NPMs) are collective displacements that are indicative of imminent plastic instabilities in elastic solids. In this work we formulate the atomistic theory that describes the reversible evolution of NPMs and their…

The rapidly increasing computational demands for artificial intelligence (AI) have spurred the exploration of computing principles beyond conventional digital computers. Physical neural networks (PNNs) offer efficient neuromorphic…

Molecular dynamics (MD) simulations play an important role in understanding and engineering heat transport properties of complex materials. An essential requirement for reliably predicting heat transport properties is the use of accurate…