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One of the central problems in the classification of individual test sequences (e.g. genetic analysis), is that of checking for the similarity of sample test sequences as compared with a set of much longer training sequences. This is done…

Information Theory · Computer Science 2014-06-24 Jacob Ziv

Characterization of quantum systems from experimental data is a central problem in quantum science and technology. But which measurements should be used to gather data in the first place? While optimal measurement choices can be worked out…

Quantum Physics · Physics 2025-07-15 Jiaxin Huang , Yan Zhu , Giulio Chiribella , Ya-Dong Wu

A plethora of deep learning models have been developed for the task of Alzheimer's disease classification from brain MRI scans. Many of these models report high performance, achieving three-class classification accuracy of up to 95%.…

Computer Vision and Pattern Recognition · Computer Science 2019-04-18 Ziqiang Guan , Ritesh Kumar , Yi Ren Fung , Yeahuay Wu , Madalina Fiterau

We study active structure learning of Bayesian networks in an observational setting, in which there are external limitations on the number of variable values that can be observed from the same sample. Random samples are drawn from the joint…

Machine Learning · Computer Science 2022-08-23 Noa Ben-David , Sivan Sabato

We introduce a model of DNA sequence evolution which can account for biases in mutation rates that depend on the identity of the neighboring bases. An analytic solution for this class of non-equilibrium models is developed by adopting…

Biological Physics · Physics 2007-05-23 Peter F. Arndt , Christopher B. Burge , Terence Hwa

Depth measures are powerful tools for defining level sets in emerging, non--standard, and complex random objects such as high-dimensional multivariate data, functional data, and random graphs. Despite their favorable theoretical properties,…

We study the use of hypermodels to represent epistemic uncertainty and guide exploration. This generalizes and extends the use of ensembles to approximate Thompson sampling. The computational cost of training an ensemble grows with its…

Machine Learning · Computer Science 2020-06-16 Vikranth Dwaracherla , Xiuyuan Lu , Morteza Ibrahimi , Ian Osband , Zheng Wen , Benjamin Van Roy

Site occupancy models are routinely used to estimate the probability of species presence from either abundance or presence-absence data collected across sites with repeated sampling occasions. In the last two decades, a broad class of…

Methodology · Statistics 2022-04-05 Wen-Han Hwang , Jakub Stoklosa , Lu-Fang Chen

Statistical-mechanical lattice models for protein-DNA binding are well established as a method to describe complex ligand binding equilibriums measured in vitro with purified DNA and protein components. Recently, a new field of applications…

Biological Physics · Physics 2014-08-27 Vladimir B. Teif , Karsten Rippe

Existing neural active learning algorithms have aimed to optimize the predictive performance of neural networks (NNs) by selecting data for labelling. However, other than a good predictive performance, being robust against random parameter…

Machine Learning · Computer Science 2023-06-08 Apivich Hemachandra , Zhongxiang Dai , Jasraj Singh , See-Kiong Ng , Bryan Kian Hsiang Low

We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…

Chemical Physics · Physics 2015-08-26 Matthias Rupp , Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

Sequence to Sequence models struggle at compositionality and systematic generalisation even while they excel at many other tasks. We attribute this limitation to their failure to internalise constructions conventionalised form meaning…

Computation and Language · Computer Science 2025-09-25 Ganesh Katrapati , Manish Shrivastava

Recent breakthroughs in self-supervised learning have enabled the use of large unlabeled datasets to train visual foundation models that can generalize to a variety of downstream tasks. While this training paradigm is well suited for the…

We introduce property-independent kernels for machine learning modeling of arbitrarily many molecular properties. The kernels encode molecular structures for training sets of varying size, as well as similarity measures sufficiently diffuse…

Chemical Physics · Physics 2015-03-18 Raghunathan Ramakrishnan , O. Anatole von Lilienfeld

We live in a period where bio-informatics is rapidly expanding, a significant quantity of genomic data has been produced as a result of the advancement of high-throughput genome sequencing technology, raising concerns about the costs…

Quantitative Methods · Quantitative Biology 2023-03-10 Mehedi Hasan Sarkar , Adnan Ferdous Ashrafi

Despite the success of CNN models on a variety of Image classification and segmentation tasks, their extensive computational and storage demands pose considerable challenges for real-world deployment on resource-constrained devices.…

Computer Vision and Pattern Recognition · Computer Science 2025-09-10 Ahmed Luqman , Khuzemah Qazi , Murray Patterson , Malik Jahan Khan , Imdadullah Khan

We introduce scalable deep kernels, which combine the structural properties of deep learning architectures with the non-parametric flexibility of kernel methods. Specifically, we transform the inputs of a spectral mixture base kernel with a…

Machine Learning · Computer Science 2015-11-09 Andrew Gordon Wilson , Zhiting Hu , Ruslan Salakhutdinov , Eric P. Xing

Semantic and panoptic occupancy prediction for road scene analysis provides a dense 3D representation of the ego vehicle's surroundings. Current camera-only approaches typically rely on costly dense 3D supervision or require training models…

Computer Vision and Pattern Recognition · Computer Science 2026-03-09 Andrew Caunes , Thierry Chateau , Vincent Fremont

In tasks like semantic parsing, instruction following, and question answering, standard deep networks fail to generalize compositionally from small datasets. Many existing approaches overcome this limitation with model architectures that…

Computation and Language · Computer Science 2023-07-06 Ekin Akyürek , Jacob Andreas

This paper examines various methods of computing uncertainty and diversity for active learning in genetic programming. We found that the model population in genetic programming can be exploited to select informative training data points by…

Neural and Evolutionary Computing · Computer Science 2023-08-02 Nathan Haut , Wolfgang Banzhaf , Bill Punch