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Developing inverse design methods for functional materials with specific properties is critical to advancing fields like renewable energy, catalysis, energy storage, and carbon capture. Generative models based on diffusion principles can…

Materials Science · Physics 2026-05-19 Xiao-Qi Han , Peng-Jie Guo , Ze-Feng Gao , Hao Sun , Zhong-Yi Lu

Natural Language Processing (NLP) models risk overfitting to specific terms in the training data, thereby reducing their performance, fairness, and generalizability. E.g., neural hate speech detection models are strongly influenced by…

Computation and Language · Computer Science 2022-03-18 Giuseppe Attanasio , Debora Nozza , Dirk Hovy , Elena Baralis

Reinforcement learning (RL) has substantially improved the ability of large language model (LLM) agents to interact with environments and solve multi-turn tasks. However, effective agentic RL remains challenging: sparse outcome-only rewards…

Active learning(AL) has recently gained popularity for deep learning(DL) models. This is due to efficient and informative sampling, especially when the learner requires large-scale labelled datasets. Commonly, the sampling and training…

Computer Vision and Pattern Recognition · Computer Science 2023-01-05 Razvan Caramalau , Binod Bhattarai , Danail Stoyanov , Tae-Kyun Kim

It is widely accepted that biased data leads to biased and thus potentially unfair models. Therefore, several measures for bias in data and model predictions have been proposed, as well as bias mitigation techniques whose aim is to learn…

Machine Learning · Computer Science 2024-03-26 Marco Favier , Toon Calders , Sam Pinxteren , Jonathan Meyer

The next generation of advanced materials is tending toward increasingly complex compositions. Synthesizing precise composition is time-consuming and becomes exponentially demanding with increasing compositional complexity. An experienced…

Materials Science · Physics 2024-03-12 Nathan Johnson , Aashwin Ananda Mishra , Apurva Mehta

Obtaining in-depth understanding of the relationships between the additive manufacturing (AM) process, microstructure and mechanical properties is crucial to overcome barriers in AM. In this study, database of metal AM was created thanks to…

Materials Science · Physics 2023-09-01 Raymond Wong , Anh Tran , Bogdan Dovgyy , Claudia Santos Maldonado , Minh-Son Pham

Two-dimensional (2D) materials have been a central focus of recent research because they host a variety of properties, making them attractive both for fundamental science and for applications. It is thus crucial to be able to identify…

Materials Science · Physics 2022-11-18 Mohammad Tohidi Vahdat , Kumar Agrawal Varoon , Giovanni Pizzi

In our today's information society more and more data emerges, e.g.~in social networks, technical applications, or business applications. Companies try to commercialize these data using data mining or machine learning methods. For this…

Machine Learning · Statistics 2016-10-17 Tobias Reitmaier , Adrian Calma , Bernhard Sick

In machine learning, a bias occurs whenever training sets are not representative for the test data, which results in unreliable models. The most common biases in data are arguably class imbalance and covariate shift. In this work, we aim to…

Machine Learning · Computer Science 2018-04-04 Patrick Glauner , Radu State , Petko Valtchev , Diogo Duarte

Active learning aims to achieve greater accuracy with less training data by selecting the most useful data samples from which it learns. Single-criterion based methods (i.e., informativeness and representativeness based methods) are simple…

Machine Learning · Computer Science 2021-07-06 Xueying Zhan , Qing Li , Antoni B. Chan

Active learning has been increasingly applied to screening functional materials from existing materials databases with desired properties. However, the number of known materials deposited in the popular materials databases such as ICSD and…

Labeled datasets for agriculture are extremely spatially imbalanced. When developing algorithms for data-sparse regions, a natural approach is to use transfer learning from data-rich regions. While standard transfer learning approaches…

Machine Learning · Computer Science 2022-02-07 Gabriel Tseng , Hannah Kerner , David Rolnick

Active metric learning is the problem of incrementally selecting high-utility batches of training data (typically, ordered triplets) to annotate, in order to progressively improve a learned model of a metric over some input domain as…

Machine Learning · Computer Science 2021-08-03 Priyadarshini K , Siddhartha Chaudhuri , Vivek Borkar , Subhasis Chaudhuri

Meta-learning approaches have been proposed to tackle the few-shot learning problem.Typically, a meta-learner is trained on a variety of tasks in the hopes of being generalizable to new tasks. However, the generalizability on new tasks of a…

Machine Learning · Computer Science 2018-05-22 Muhammad Abdullah Jamal , Guo-Jun Qi , Mubarak Shah

Biases in machine learning pose significant challenges, particularly when models amplify disparities that affect disadvantaged groups. Traditional bias mitigation techniques often lead to a {\itshape leveling-down effect}, whereby improving…

Machine Learning · Computer Science 2025-09-03 Lucas Mansilla , Rodrigo Echeveste , Camila Gonzalez , Diego H. Milone , Enzo Ferrante

This study introduces a language transformer-based machine learning model to predict key mechanical properties of high-entropy alloys (HEAs), addressing the challenges due to their complex, multi-principal element compositions and limited…

Computational Engineering, Finance, and Science · Computer Science 2024-11-08 Spyros Kamnis , Konstantinos Delibasis

Due to their abundant use in all-solid-state lasers, nonlinear optical (NLO) crystals are needed for many applications across diverse fields such as medicine and communication. However, because of conflicting requirements, the design of…

Materials Science · Physics 2025-08-13 Victor Trinquet , Matthew L. Evans , Gian-Marco Rignanese

The promise of active learning (AL) is to reduce labelling costs by selecting the most valuable examples to annotate from a pool of unlabelled data. Identifying these examples is especially challenging with high-dimensional data (e.g.…

Computer Vision and Pattern Recognition · Computer Science 2022-03-15 Amin Parvaneh , Ehsan Abbasnejad , Damien Teney , Reza Haffari , Anton van den Hengel , Javen Qinfeng Shi

Active learning is a promising alternative to alleviate the issue of high annotation cost in the computer vision tasks by consciously selecting more informative samples to label. Active learning for object detection is more challenging and…

Computer Vision and Pattern Recognition · Computer Science 2022-04-19 Jiaxi Wu , Jiaxin Chen , Di Huang