相关论文: Active learning based generative design for the di…

The process of decomposing target images into their internal properties is a difficult task due to the inherent ill-posed nature of the problem. The lack of data required to train a network is a one of the reasons why the decomposing…

The constant demand for new functional materials calls for efficient strategies to accelerate the materials design and discovery. In addressing this challenge, machine learning generative models can offer promising opportunities since they…

Recent significant advances in integrating multiple Large Language Model (LLM) systems have enabled Agentic Frameworks capable of performing complex tasks autonomously, including novel scientific research. We develop and demonstrate such a…

Metamaterials with functional responses can exhibit varying properties under different conditions (e.g., wave-based responses or deformation-induced property variation). This work addresses the rapid inverse design of such metamaterials to…

This paper proposes an active learning (AL) algorithm to solve regression problems based on inverse-distance weighting functions for selecting the feature vectors to query. The algorithm has the following features: (i) supports both…

Generative machine learning models have revolutionized material discovery by capturing complex structure-property relationships, yet extending these approaches to the inverse design of three-dimensional metamaterials remains limited by…

We propose a novel active learning scheme for automatically sampling a minimum number of uncorrelated configurations for fitting the Gaussian Approximation Potential (GAP). Our active learning scheme consists of an unsupervised machine…

We present an adversarial active exploration for inverse dynamics model learning, a simple yet effective learning scheme that incentivizes exploration in an environment without any human intervention. Our framework consists of a deep…

Learning-based approaches to grasp planning are preferred over analytical methods due to their ability to better generalize to new, partially observed objects. However, data collection remains one of the biggest bottlenecks for grasp…

Active learning is a subfield of machine learning that is devised for design and modeling of systems with highly expensive sampling costs. Industrial and engineering systems are generally subject to physics constraints that may induce fatal…

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine learning (ML) is emerging as a transformative tool for the design of architected materials, offering properties that far surpass those achievable through lab-based trial-and-error methods. However, a major challenge in current…

Optical materials with special optical properties are widely used in a broad span of technologies, from computer displays to solar energy utilization leading to large dataset accumulated from years of extensive materials synthesis and…

Locally resonant elastic metamaterials (LREM) can be designed, by optimizing the geometry of the constituent self-repeating unit cells, to potentially damp out vibration in selected frequency ranges, thus yielding desired bandgaps. However,…

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML…

We study the problem of experiment design to learn causal structures from interventional data. We consider an active learning setting in which the experimenter decides to intervene on one of the variables in the system in each step and uses…

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of…

The electronic structure of a material fundamentally determines its underlying physical, and by extension, its functional properties. Consequently, the ability to identify or generate materials with desired electronic properties would…

Directly manipulating the atomic structure to achieve a specific property is a long pursuit in the field of materials. However, hindered by the disordered, non-prototypical glass structure and the complex interplay between structure and…

In recent years, the development of nanophotonic devices has presented a revolutionary means to manipulate light at nanoscale. Recently, artificial neural networks (ANNs) have displayed powerful ability in the inverse design of nanophotonic…