相关论文: Advancing Extrapolative Predictions of Material Pr…

In many real-world scenarios, data to train machine learning models becomes available over time. Unfortunately, these models struggle to continually learn new concepts without forgetting what has been learnt in the past. This phenomenon is…

Materials properties depend strongly on chemical composition, i.e., the relative amounts of each chemical element. Changes in composition lead to entirely different chemical arrangements, which vary in complexity from perfectly ordered…

Machine learning (ML) models for predicting gas permeability through polymers have traditionally relied on experimental data. While these models exhibit robustness within familiar chemical domains, reliability wanes when applied to new…

Polymer informatics tools have been recently gaining ground to efficiently and effectively develop, design, and discover new polymers that meet specific application needs. So far, however, these data-driven efforts have largely focused on…

Machine learning models have been widely applied for material property prediction. However, practical application of these models can be hindered by a lack of information about how well they will perform on previously unseen types of…

In machine learning (ML), it is in general challenging to provide a detailed explanation on how a trained model arrives at its prediction. Thus, usually we are left with a black-box, which from a scientific standpoint is not satisfactory.…

Machine learning approaches, enabled by the emergence of comprehensive databases of materials properties, are becoming a fruitful direction for materials analysis. As a result, a plethora of models have been constructed and trained on…

Molecules have a number of distinct properties whose importance and application vary. Often, in reality, labels for some properties are hard to achieve despite their practical importance. A common solution to such data scarcity is to use…

Probabilistic models help us encode latent structures that both model the data and are ideally also useful for specific downstream tasks. Among these, mixture models and their time-series counterparts, hidden Markov models, identify…

Additive manufacturing using 2-Photon Polymerization (2PP, aka direct laser writing DLW) enables the fabrication of almost arbitrary complex 3D structures from the meso to the submicron scale. However, deviations between the anticipated…

Through learning from past literature, artificial intelligence models have been able to predict the future applications of various stoichiometric inorganic materials in a variety of subfields of materials science. This capacity offers…

Deep learning models are gaining popularity and potency in predicting polymer properties. These models can be built using pre-existing data and are useful for the rapid prediction of polymer properties. However, the performance of a deep…

In computational materials science, a common means for predicting macroscopic (e.g., mechanical) properties of an alloy is to define a model using combinations of descriptors that depend on some material properties (elastic constants,…

The dream of machine learning in materials science is for a model to learn the underlying physics of an atomic system, allowing it to move beyond interpolation of the training set to the prediction of properties that were not present in the…

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…

This paper reviews machine learning applications and approaches to detection, classification and control of intelligent materials and structures with embedded distributed computation elements. The purpose of this survey is to identify…

In-context learning enables transformer models to generalize to new tasks based solely on input prompts, without any need for weight updates. However, existing training paradigms typically rely on large, unstructured datasets that are…

The adoption of machine learning in materials science has rapidly transformed materials property prediction. Hurdles limiting full capitalization of recent advancements in machine learning include the limited development of methods to learn…

Learning to change shape is a fundamental strategy of adaptation and evolution of living organisms, from bacteria and cells to tissues and animals. Human-made materials can also exhibit advanced shape morphing capabilities, but lack the…

Continual learning poses a fundamental challenge for modern machine learning systems, requiring models to adapt to new tasks while retaining knowledge from previous ones. Addressing this challenge necessitates the development of efficient…