相关论文: SPACIER: On-Demand Polymer Design with Fully Autom…

The input data pipeline is an essential component of each machine learning (ML) training job. It is responsible for reading massive amounts of training data, processing batches of samples using complex transformations, and loading them onto…

Algorithm parameters, in particular hyperparameters of machine learning algorithms, can substantially impact their performance. To support users in determining well-performing hyperparameter configurations for their algorithms, datasets and…

The paradigm of differentiable programming has significantly enhanced the scope of machine learning via the judicious use of gradient-based optimization. However, standard differentiable programming methods (such as autodiff) typically…

Recently, the joint design of optical systems and downstream algorithms is showing significant potential. However, existing rays-described methods are limited to optimizing geometric degradation, making it difficult to fully represent the…

Tomographic imaging has benefited from advances in X-ray sources, detectors and optics to enable novel observations in science, engineering and medicine. These advances have come with a dramatic increase of input data in the form of faster…

The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planning (CASP) in the past decade. Here, we detail the newest…

The high simulation cost has been a bottleneck of practical analog/mixed-signal design automation. Many learning-based algorithms require thousands of simulated data points, which is impractical for expensive to simulate circuits. We…

Polymers, macromolecules formed from covalently bonded monomers, underpin countless technologies and are indispensable to modern life. While deep learning is advancing polymer science, existing methods typically represent the whole polymer…

Advancing research in fields such as Simultaneous Localization and Mapping (SLAM) and autonomous navigation critically depends on the availability of reliable and reproducible multimodal datasets. While several influential datasets have…

We develop a set of algorithms to solve a broad class of Design of Experiment (DoE) problems efficiently. Specifically, we consider problems in which one must choose a subset of polymers to test in experiments such that the learning of the…

The CASPER (Collaboration for Astronomy Signal Processing and Electronic Research) toolflow is a widely used framework for designing and implementing digital signal processing systems, particularly in the field of radio astronomy. It…

We introduce PolyRecommender, a multimodal discovery framework that integrates chemical language representations from PolyBERT with molecular graph-based representations from a graph encoder. The system first retrieves candidate polymers…

The discovery of processes for the synthesis of new materials involves many decisions about process design, operation, and material properties. Experimentation is crucial but as complexity increases, exploration of variables can become…

Constructing simulation scenes that are both visually and physically realistic is a problem of practical interest in domains ranging from robotics to computer vision. This problem has become even more relevant as researchers wielding large…

State-of-the-art approaches in computer vision heavily rely on sufficiently large training datasets. For real-world applications, obtaining such a dataset is usually a tedious task. In this paper, we present a fully automated pipeline to…

Reproducibility and sustainability present significant challenges in bioinformatics software development, where rapidly evolving tools and complex workflows often result in short-lived or difficult-to-adapt pipelines. This paper introduces…

Despite the success statistical physics has enjoyed at predicting the properties of materials for given parameters, the inverse problem, identifying which material parameters produce given, desired properties, is only beginning to be…

Scanning probe microscopy (SPM) is a valuable technique by which one can investigate the physical characteristics of the surfaces of materials. However, its widespread use is hampered by the time-consuming nature of running an experiment…

Automated machine learning (AutoML) has democratized the design of machine learning based systems, by automating model selection, hyperparameter tuning and feature engineering. However, the high computational cost associated with…

One of the challenging aspects of applying machine learning is the need to identify the algorithms that will perform best for a given dataset. This process can be difficult, time consuming and often requires a great deal of domain…