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Machine-learning models in chemistry - when based on descriptors of atoms embedded within molecules - face essential challenges in transferring the quality of predictions of local electronic structures and their associated properties across…

Chemical Physics · Physics 2024-09-27 Frederik Ø. Kjeldal , Janus J. Eriksen

Humans have the ability to accumulate knowledge of new tasks in varying conditions, but deep neural networks often suffer from catastrophic forgetting of previously learned knowledge after learning a new task. Many recent methods focus on…

Application of machine learning may be understood as deriving new knowledge for practical use through explaining accumulated observations, training set. Peirce used the term abduction for this kind of inference. Here I formalize the concept…

Artificial Intelligence · Computer Science 2023-01-03 Marina Sapir

Training and evaluation of fair classifiers is a challenging problem. This is partly due to the fact that most fairness metrics of interest depend on both the sensitive attribute information and label information of the data points. In many…

Machine Learning · Computer Science 2021-02-18 Pranjal Awasthi , Alex Beutel , Matthaeus Kleindessner , Jamie Morgenstern , Xuezhi Wang

When two different parties use the same learning rule on their own data, how can we test whether the distributions of the two outcomes are similar? In this paper, we study the similarity of outcomes of learning rules through the lens of the…

Machine Learning · Computer Science 2023-05-24 Alkis Kalavasis , Amin Karbasi , Shay Moran , Grigoris Velegkas

The rankability of data is a recently proposed problem that considers the ability of a dataset, represented as a graph, to produce a meaningful ranking of the items it contains. To study this concept, a number of rankability measures have…

Combinatorics · Mathematics 2022-03-15 Nathan McJames , David Malone , Oliver Mason

We theoretically analyze and compare the following five popular multiclass classification methods: One vs. All, All Pairs, Tree-based classifiers, Error Correcting Output Codes (ECOC) with randomly generated code matrices, and Multiclass…

Machine Learning · Computer Science 2013-02-19 Amit Daniely , Sivan Sabato , Shai Shalev Shwartz

We pose causal inference as the problem of learning to classify probability distributions. In particular, we assume access to a collection $\{(S_i,l_i)\}_{i=1}^n$, where each $S_i$ is a sample drawn from the probability distribution of $X_i…

Machine Learning · Statistics 2015-05-20 David Lopez-Paz , Krikamol Muandet , Bernhard Schölkopf , Ilya Tolstikhin

The availability of abundant labeled data in recent years led the researchers to introduce a methodology called transfer learning, which utilizes existing data in situations where there are difficulties in collecting new annotated data.…

Machine Learning · Computer Science 2021-04-07 Abolfazl Farahani , Behrouz Pourshojae , Khaled Rasheed , Hamid R. Arabnia

Imitation learning algorithms learn a policy from demonstrations of expert behavior. We show that, for deterministic experts, imitation learning can be done by reduction to reinforcement learning with a stationary reward. Our theoretical…

Machine Learning · Statistics 2022-03-16 Kamil Ciosek

Contrastive learning is among the most popular and powerful approaches for self-supervised representation learning, where the goal is to map semantically similar samples close together while separating dissimilar ones in the latent space.…

Machine Learning · Statistics 2025-12-03 Ali Alvandi , Mina Rezaei

In this paper the problem of {\em learning} appropriate domain-specific bias is addressed. It is shown that this can be achieved by learning many related tasks from the same domain, and a theorem is given bounding the number tasks that must…

Machine Learning · Computer Science 2019-11-15 Jonathan Baxter

We investigate learnability of possibilistic theories from entailments in light of Angluin's exact learning model. We consider cases in which only membership, only equivalence, and both kinds of queries can be posed by the learner. We then…

Logic in Computer Science · Computer Science 2020-05-08 Cosimo Persia , Ana Ozaki

Performative prediction is a framework for learning models that influence the data they intend to predict. We focus on finding classifiers that are performatively stable, i.e. optimal for the data distribution they induce. Standard…

Machine Learning · Computer Science 2025-02-07 Mehrnaz Mofakhami , Ioannis Mitliagkas , Gauthier Gidel

We investigate natural variations of behaviourally correct learning and explanatory learning -- two learning paradigms studied in algorithmic learning theory -- that allow us to ``learn'' equivalence relations on Polish spaces. We give a…

Logic · Mathematics 2025-02-05 Dino Rossegger , Theodore Slaman , Tomasz Steifer

To develop rigorous knowledge about ML models -- and the systems in which they are embedded -- we need reliable measurements. But reliable measurement is fundamentally challenging, and touches on issues of reproducibility, scalability,…

Machine Learning · Computer Science 2024-08-13 A. Feder Cooper

Transfer learning is focused on the reuse of supervised learning models in a new context. Prominent applications can be found in robotics, image processing or web mining. In these fields, the learning scenarios are naturally changing but…

Machine Learning · Computer Science 2020-07-15 Christoph Raab , Frank-Michael Schleif

Many learning machines that have hierarchical structure or hidden variables are now being used in information science, artificial intelligence, and bioinformatics. However, several learning machines used in such fields are not regular but…

Machine Learning · Computer Science 2015-05-13 Sumio Watanabe

We study the training dynamics of neural classifiers through the lens of binary hypothesis testing. We re-formalize classification as a collection of binary tests between class-conditional distributions induced by learned representations…

Machine Learning · Computer Science 2026-05-18 Kadircan Aksoy , Protim Bhattacharjee , Peter Jung

We study several questions in the reliable agnostic learning framework of Kalai et al. (2009), which captures learning tasks in which one type of error is costlier than others. A positive reliable classifier is one that makes no false…

Machine Learning · Computer Science 2014-02-25 Varun Kanade , Justin Thaler