相关论文: MSEval: A Dataset for Material Selection in Concep…

A desirable data selection algorithm can efficiently choose the most informative samples to maximize the utility of limited annotation budgets. However, current approaches, represented by active learning methods, typically follow a…

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…

The exponential growth of volume, variety and velocity of data is raising the need for investigations of automated or semi-automated ways to extract useful patterns from the data. It requires deep expert knowledge and extensive…

The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and error, and luck. We propose a methodology that can…

Data scientists seeking a good supervised learning model on a new dataset have many choices to make: they must preprocess the data, select features, possibly reduce the dimension, select an estimation algorithm, and choose hyperparameters…

Both in the domains of Feature Selection and Interpretable AI, there exists a desire to `rank' features based on their importance. Such feature importance rankings can then be used to either: (1) reduce the dataset size or (2) interpret the…

In the rapidly advancing field of multi-modal machine learning (MMML), the convergence of multiple data modalities has the potential to reshape various applications. This paper presents a comprehensive overview of the current state,…

Real-life engineering optimization problems need Multiobjective Optimization (MOO) tools. These problems are highly nonlinear. As the process of Multiple Criteria Decision-Making (MCDM) is much expanded most MOO problems in different…

During the training phase of machine learning (ML) models, it is usually necessary to configure several hyperparameters. This process is computationally intensive and requires an extensive search to infer the best hyperparameter set for the…

Feature selection is an important and active field of research in machine learning and data science. Our goal in this paper is to propose a collection of synthetic datasets that can be used as a common reference point for feature selection…

Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements into predictions of energies and forces. As a result, these…

Software refactoring is the process of changing the structure of software without any alteration in its behavior and functionality. Presuming it is carried out in appropriate opportunities, refactoring enhances software quality…

The machine learning community currently has no standardized process for documenting datasets, which can lead to severe consequences in high-stakes domains. To address this gap, we propose datasheets for datasets. In the electronics…

Data scarcity and the high cost of annotation have long been persistent challenges in the field of materials science. Inspired by its potential in other fields like computer vision, we propose the MatWheel framework, which train the…

Tabular data is prevalent in real-world machine learning applications, and new models for supervised learning of tabular data are frequently proposed. Comparative studies assessing the performance of models typically consist of…

The increase in non-biodegradable waste is a worldwide concern. Recycling facilities play a crucial role, but their automation is hindered by the complex characteristics of waste recycling lines like clutter or object deformation. In…

When designing new materials, it is often necessary to tailor the material design (with respect to its design parameters) to have some desired properties (e.g. Young's modulus). As the set of design parameters grow, the search space grows…

Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…

Automatic machine learning (AutoML) is a key enabler of the mass deployment of the next generation of machine learning systems. A key desideratum for future ML systems is the automatic selection of models and hyperparameters. We present a…

Decision-making is a core engineering design activity that conveys the engineer's knowledge and translates it into courses of action. Capturing this form of knowledge can reap potential benefits for the engineering teams and enhance…