相关论文: Symbolic Learning for Material Discovery

Predictive materials synthesis is the primary bottleneck in realizing new functional and quantum materials. Strategies for synthesis of promising materials are currently identified by time-consuming trial and error approaches and there are…

Autonomous agents embedded in a physical environment need the ability to recognize objects and their properties from sensory data. Such a perceptual ability is often implemented by supervised machine learning models, which are pre-trained…

Query optimization has played a central role in database research for decades. However, more often than not, the proposed optimization techniques lead to a performance improvement in some, but not in all, situations. Therefore, we urgently…

Recent advances in drug discovery have demonstrated that incorporating side information (e.g., chemical properties about drugs and genomic information about diseases) often greatly improves prediction performance. However, these side…

The performance of a machine learning system is usually evaluated by using i.i.d.\ observations with true labels. However, acquiring ground truth labels is expensive, while obtaining unlabeled samples may be cheaper. Stratified sampling can…

Visual recognition of materials and their states is essential for understanding the physical world, from identifying wet regions on surfaces or stains on fabrics to detecting infected areas on plants or minerals in rocks. Collecting data…

In supervised learning, acquiring labeled training data for a predictive model can be very costly, but acquiring a large amount of unlabeled data is often quite easy. Active learning is a method of obtaining predictive models with high…

Discovering the underlying dynamics of complex systems from data is an important practical topic. Constrained optimization algorithms are widely utilized and lead to many successes. Yet, such purely data-driven methods may bring about…

Discovering symbolic representations for skills is essential for abstract reasoning and efficient planning in robotics. Previous neuro-symbolic robotic studies mostly focused on discovering perceptual symbolic categories given a pre-defined…

The advent of big data has vast potential for discovery in natural phenomena ranging from climate science to medicine, but overwhelming complexity stymies insight. Existing theory is often not able to succinctly describe salient phenomena,…

In recent years, there has been a growing interest in accelerated materials innovation in the context of the process-structure-property chain. In this regard, it is essential to take into account manufacturing processes and tailor materials…

A main goal of data-driven materials research is to find optimal low-dimensional descriptors, allowing us to predict a physical property, and to interpret them in a human-understandable way. In this work, we advance methods to identify…

The concept of matching dependencies (mds) is recently pro- posed for specifying matching rules for object identification. Similar to the functional dependencies (with conditions), mds can also be applied to various data quality…

In robotic applications, we often face the challenge of discovering new objects while having very little or no labelled training data. In this paper we explore the use of self-supervision provided by a robot traversing an environment to…

This paper introduces SOLID (Synergizing Optimization and Large Language Models for Intelligent Decision-Making), a novel framework that integrates mathematical optimization with the contextual capabilities of large language models (LLMs).…

Advanced microscopy and/or spectroscopy tools play indispensable role in nanoscience and nanotechnology research, as it provides rich information about the growth mechanism, chemical compositions, crystallography, and other important…

Adapting large language models (LLMs) to specific domains often faces a critical bottleneck: the scarcity of high-quality, human-curated data. While large volumes of unchecked data are readily available, indiscriminately using them for…

When simulating multiscale stochastic differential equations (SDEs) in high-dimensions, separation of timescales, stochastic noise and high-dimensionality can make simulations prohibitively expensive. The computational cost is dictated by…

This paper develops a novel methodology for using symbolic knowledge in deep learning. From first principles, we derive a semantic loss function that bridges between neural output vectors and logical constraints. This loss function captures…

The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…