相关论文: Impact of Data Bias on Machine Learning for Crysta…

Bias is known to be an impediment to fair decisions in many domains such as human resources, the public sector, health care etc. Recently, hope has been expressed that the use of machine learning methods for taking such decisions would…

Imbalanced data, where the positive samples represent only a small proportion compared to the negative samples, makes it challenging for classification problems to balance the false positive and false negative rates. A common approach to…

When training a machine learning classifier on data where one of the classes is intrinsically rare, the classifier will often assign too few sources to the rare class. To address this, it is common to up-weight the examples of the rare…

It is fair to say that many of the prominent examples of bias in Machine Learning (ML) arise from bias that is there in the training data. In fact, some would argue that supervised ML algorithms cannot be biased, they reflect the data on…

It is tempting to think that machines are less prone to unfairness and prejudice. However, machine learning approaches compute their outputs based on data. While biases can enter at any stage of the development pipeline, models are…

Machine learning applications are becoming increasingly pervasive in our society. Since these decision-making systems rely on data-driven learning, risk is that they will systematically spread the bias embedded in data. In this paper, we…

Biased human decisions have consequential impacts across various domains, yielding unfair treatment of individuals and resulting in suboptimal outcomes for organizations and society. In recognition of this fact, organizations regularly…

Drive towards improved performance of machine learning models has led to the creation of complex features representing a database of condensed matter systems. The complex features, however, do not offer an intuitive explanation on which…

Datasets in the Natural Sciences are often curated with the goal of aiding scientific understanding and hence may not always be in a form that facilitates the application of machine learning. In this paper, we identify three trends within…

Deep Neural Networks are well known for efficiently fitting training data, yet experiencing poor generalization capabilities whenever some kind of bias dominates over the actual task labels, resulting in models learning "shortcuts". In…

Despite an artificial intelligence-assisted modeling of disordered crystals is a widely used and well-tried method of new materials design, the issues of its robustness, reliability, and stability are still not resolved and even not…

Datasets for training recommender systems are often subject to distribution shift induced by users' and recommenders' selection biases. In this paper, we study the impact of selection bias on datasets with different quantization. We then…

A significant impediment to progress in research on bias in machine learning (ML) is the availability of relevant datasets. This situation is unlikely to change much given the sensitivity of such data. For this reason, there is a role for…

Face recognition algorithms, when used in the real world, can be very useful, but they can also be dangerous when biased toward certain demographics. So, it is essential to understand how these algorithms are trained and what factors affect…

Deep learning models frequently suffer from various problems such as class imbalance and lack of robustness to distribution shift. It is often difficult to find data suitable for training beyond the available benchmarks. This is especially…

Predicting the chemical properties of compounds is crucial in discovering novel materials and drugs with specific desired characteristics. Recent significant advances in machine learning technologies have enabled automatic predictive…

The unparalleled ability of machine learning algorithms to learn patterns from data also enables them to incorporate biases embedded within. A biased model can then make decisions that disproportionately harm certain groups in society. Much…

Revealing and analyzing the various properties of materials is an essential and critical issue in the development of materials, including batteries, semiconductors, catalysts, and pharmaceuticals. Traditionally, these properties have been…

This study aims to understand how statistical biases affect the model's ability to generalize to in-distribution and out-of-distribution data on algorithmic tasks. Prior research indicates that transformers may inadvertently learn to rely…

Although many fairness criteria have been proposed to ensure that machine learning algorithms do not exhibit or amplify our existing social biases, these algorithms are trained on datasets that can themselves be statistically biased. In…