17 papers · ranked by Valyu relevance
Paul Stapor, Leonard Schmiester, Christoph Wierling, Simon Merkt + 4 more
Quantitative dynamic models are widely used to study cellular signal processing. A critical step in modelling is the estimation of unknown model parameters from experimental data. As model sizes and datasets are steadily growing, established parameter optimization approaches for mechanistic models become…
Victor Boussange, Pau Vilimelis Aceituno, Frank Schäfer, Loïc Pellissier
Process-based, dynamic models are essential for extrapolating beyond current trends and anticipating biodiversity responses to global change. However, their practical adoption for forecasting purposes remains limited due to difficulties in calibrating them against data and structural inaccuracies in their mathematical…
Hideyuki Umeda, Hideaki Iiduka
Gradient Descent Authors: ['Hideyuki Umeda' 'Hideaki Iiduka'] The performance of mini-batch stochastic gradient descent (SGD) strongly depends on setting the batch size and learning rate to minimize the empirical loss in training the deep neural network. In this paper, we present theoretical analyses of mini-batch SGD…
Jaewoong Cho, Kartik K. Sreenivasan, Keon Lee, Kyunghoo Mun + 6 more
'Soheun Yi' 'Jeong-Gwan Lee' 'Anna Lee' 'Jy-yong Sohn' 'Dimitris Papailiopoulos' 'Kangwook Lee'] | Jaewoong Cho∗ | Kartik Sreenivasan∗ | | Keon Lee | | --- | --- | --- | --- | | KRAFTON | University of Wisconsin-Madison | | KRAFTON | | Kyunghoo Mun | Soheun Yi | Jeong-Gwan Lee | Anna Lee | | KRAFTON | Seoul National…
Jackie Lok, Rishi Sonthalia, Elizaveta Rebrova
regression Authors: ['Jackie Lok' 'Rishi Sonthalia' 'Elizaveta Rebrova'] We study the discrete dynamics of mini-batch gradient descent for least squares regression when sampling without replacement. We show that the dynamics and generalization error of mini-batch gradient descent depends on a sample cross-covariance…
Subin Sahayam, John Zakkam, Umarani Jayaraman
In deep learning, mini-batch training is commonly used to optimize network parameters. However, the traditional mini-batch method may not learn the under-represented samples and complex patterns in the data, leading to a longer time for generalization. To address this problem, a variant of the traditional algorithm has…
Xue Wang, Yinghan Chen, Shiyu Wang
Cognitive diagnostic models (CDMs) provide fine-grained diagnostic feedback by modeling the relationship between latent attributes and item responses. Two key components required for CDM implementation are the Q-matrix, which links items to attributes, and the attribute hierarchy, which defines prerequisite…
Hyeonseong Choi, Byung Hyun Lee, Se Young Chun, Jaehwan Lee + 1 more
'Elena Loli Piccolomini'] Modern deep neural networks cannot be often trained on a single GPU due to large model size and large data size. Model parallelism splits a model for multiple GPUs, but making it scalable and seamless is challenging due to different information sharing among GPUs with communication overhead.…
Jiahui Zhou, Han Liang, Tian Wu, Xiaoxi Zhang + 3 more
'Chee Wei Tan' 'Jun Chen'] Vertical Federated Learning (VFL) is a promising category of Federated Learning that enables collaborative model training among distributed parties with data privacy protection. Due to its unique training architecture, a key challenge of VFL is high communication cost due to transmitting…
Ya Chen, Thomas Seidel, Roxane Axel Jacob, Steffen Hirte + 6 more
The ability to determine and predict metabolically labile atom positions in a molecule (also called “sites of metabolism” or “SoMs”) is of high interest to the design and optimization of bioactive compounds such as drugs, agrochemicals, and cosmetics. In recent years, several in silico models for SoM prediction have…
Maad Ebrahim, Mohammad Alsmirat, Mahmoud Al-Ayyoub
Over recent years, researchers and practitioners have encountered massive and continuous improvements in the computational resources available for their use. This allowed the use of resource-hungry Machine learning (ML) algorithms to become feasible and practical. Moreover, several advanced techniques are being used to…
Michael Bailey, Saeed Moayedpour, Ruijiang Li, Alejandro Corrochano-Navarro + 10 more
A key challenge in drug discovery is to optimize, in silico, various absorption and affinity properties of small molecules. One strategy that was proposed for such optimization process is active learning. In active learning molecules are selected for testing based on their likelihood of improving model performance. To…
Nikesh Gyawali, Yangfan Hao, Guifang Lin, Jun Huang + 8 more
The genomes of the fungus Magnaporthe oryzae that causes blast diseases on diverse grass species, including major crop plants, have indispensable core-chromosomes and may contain one or more additional supernumerary chromosomes, also known as mini-chromosomes. The mini-chromosome is speculated to play a role in fungal…
Louise Frøstrup Follin, Julie Anja Engelhard Christensen, Janita Vevelstad, Hilde T. Juvodden + 6 more
Conventional sleep staging relies on 30-second epochs, potentially concealing transient sleep stage intrusion and reducing precision. Building on our previous study of mini-epochs, we investigated whether U-Sleep, an existing automatic deep learning-based sleep staging model with high performance in epochs, could be…
Authors not listed
Large Language Models (LLMs) based on transformer architectures excel at internet-scale tasks. However, real-world scientific scenarios—such as synthetic chemistry laboratories and autonomous experimental setups—typically involve incremental data generation in batches as new chemical reactions are conducted, unlike…
Romik Ghosh, Dana Mastrovito, Stefan Mihalas
The human brain readily learns tasks in sequence without forgetting previous ones. Artificial neural networks (ANNs), on the other hand, need to be modified to achieve similar performance. While effective, many algorithms that accomplish this are based on weight importance methods that do not correspond to biological…
Alexander Pomberger, Antonio Pedrina McCarthy, Ahmad Khan, Simon Sung + 4 more
Multivariate chemical reaction optimization involving catalytic systems is a non-trivial task due to the high number of tuneable parameters and discrete choices. Closed-loop optimization featuring active Machine Learning (ML) represents a powerful strategy for automating reaction optimization. However, the translation…