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To advance understanding of cellular metabolism and reduce batch-to-batch variability in cell culture processes, this study introduces a multi-scale hybrid modeling framework designed to simulate and predict the dynamic behavior of CHO cell…

Molecular Networks · Quantitative Biology 2025-11-13 Keqi Wang , Sarah W. Harcum , Wei Xie

Recently, DeepNorm scales Transformers into extremely deep (i.e., 1000 layers) and reveals the promising potential of deep scaling. To stabilize the training of deep models, DeepNorm (Wang et al., 2022) attempts to constrain the model…

Machine Learning · Computer Science 2023-05-05 Yijin Liu , Xianfeng Zeng , Fandong Meng , Jie Zhou

Motivation: Modeling biological signaling networks using ordinary differential equations (ODEs) has proven to be a powerful technique for generating insight into cellular dynamics, but it typically requires estimating rate parameters based…

Molecular Networks · Quantitative Biology 2011-03-07 Tri Hieu Nim , Le Luo , Marie-Véronique Clément , Jacob K. White , Lisa Tucker-Kellogg

Phase-field models accurately simulate microstructure evolution, but their dependence on solving complex differential equations makes them computationally expensive. This work achieves a significant acceleration via a novel deep…

Materials Science · Physics 2025-10-30 Sachin Gaikwad , Thejas Kasilingam , Owais Ahmad , Rajdip Mukherjee , Somnath Bhowmick

Quantifying predictive uncertainty of deep semantic segmentation networks is essential in safety-critical tasks. In applications like autonomous driving, where video data is available, convolutional long short-term memory networks are…

Computer Vision and Pattern Recognition · Computer Science 2023-11-14 Laura Fieback , Bidya Dash , Jakob Spiegelberg , Hanno Gottschalk

We present a combined numerical and data-driven workflow for efficient prediction of nonlinear, instationary convection-diffusion-reaction dynamics on a two-dimensional phenotypic domain, motivated by macroscopic modeling of cancer cell…

Computational Engineering, Finance, and Science · Computer Science 2026-02-02 Michael Urs Lars Kastor , Jan Rottmayer , Anna Hundertmark , Nicolas Ralph Gauger

Qualitative models provide crucial instruments for modelling complex biological systems. While advances in automated reasoning and symbolic encodings have enabled rigorous inference of these models from data, the process remains highly…

Molecular Networks · Quantitative Biology 2026-05-14 Ondřej Huvar , Nikola Beneš , Martin Jonáš , David Šafránek , Samuel Pastva

The Synthetic Control method (SC) has become a valuable tool for estimating causal effects. Originally designed for single-treated unit scenarios, it has recently found applications in high-dimensional disaggregated settings with multiple…

Methodology · Statistics 2025-10-28 Ye Shen , Rui Song , Alberto Abadie

A major bottleneck in scenario-based Sample Average Approximation (SAA) for stochastic programming (SP) is the cost of solving an exact second-stage problem for every scenario, especially when each scenario contains an NP-hard combinatorial…

Optimization and Control · Mathematics 2026-05-12 Jingyi Zhao , Linxin Yang , Haohua Zhang , Qile He , Tian Ding

Scaling laws have transformed our understanding of large language models by linking upstream metrics like cross-entropy loss to design factors such as model size, training data, and compute. However, these conventional laws fail to capture…

Computation and Language · Computer Science 2025-10-17 Kyle Montgomery , David Park , Jianhong Tu , Michael Bendersky , Beliz Gunel , Dawn Song , Chenguang Wang

End to end (E2E) autonomous driving trajectory prediction is often trained with camera frames sampled at the highest available temporal frequency, assuming that denser sampling improves performance. We question this assumption by treating…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Yumao Liu , Tao Liu , Xiangyu Li , Jiaxiang Li , Ke Ma

The attention mechanisms of transformers effectively extract pertinent information from the input sequence. However, the quadratic complexity of self-attention w.r.t the sequence length incurs heavy computational and memory burdens,…

Hardware Architecture · Computer Science 2022-06-30 Guan Shen , Jieru Zhao , Quan Chen , Jingwen Leng , Chao Li , Minyi Guo

We propose a novel machine learning approach for inferring causal variables of a target variable from observations. Our focus is on directly inferring a set of causal factors without requiring full causal graph reconstruction, which is…

Machine Learning · Computer Science 2025-10-01 Jang-Hyun Kim , Claudia Skok Gibbs , Sangdoo Yun , Hyun Oh Song , Kyunghyun Cho

With tremendous growing interests in Big Data systems, analyzing and facilitating their performance improvement become increasingly important. Although there have much research efforts for improving Big Data systems performance, efficiently…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-11-22 Rui Ren , Jiechao Cheng , Xiwen He , Lei Wang , Chunjie Luo , Jianfeng Zhan

Mechanistic growth models play a major role in bioprocess engineering, design, and control. Their reasonable predictive power and their high level of interpretability make them an essential tool for computer aided engineering methods.…

Quantitative Methods · Quantitative Biology 2023-12-07 Judit Aizpuru , Maxim Borisyak , Peter Neubauer , M. Nicolas Cruz Bournazou

As Large Language Models (LLMs) scale to handle massive concurrent traffic, optimizing the infrastructure required for inference has become a primary challenge. To manage the high cost of GPU resources while ensuring strict service-level…

Metaphor requires a language model to resolve a token whose contextual meaning diverges from its basic literal sense. Understanding how transformer models organize this reinterpretation across depth remains an open problem in mechanistic…

Computation and Language · Computer Science 2026-05-21 Lawhori Chakrabarti , Jennifer Johnson-Leung , Bert Baumgaertner , Aleksandar Vakanski , Min Xian , Boyu Zhang

The task of causal representation learning aims to uncover latent higher-level causal variables that affect lower-level observations. Identifying the true latent causal variables from observed data, while allowing instantaneous causal…

Machine Learning · Computer Science 2026-02-19 Yuhang Liu , Zhen Zhang , Dong Gong , Mingming Gong , Biwei Huang , Anton van den Hengel , Kun Zhang , Javen Qinfeng Shi

Data duplication during pretraining can degrade generalization and lead to memorization, motivating aggressive deduplication pipelines. However, at web scale, it is unclear what constitutes a ``duplicate'': beyond surface-form matches,…

Machine Learning · Computer Science 2026-03-10 Joshua Kazdan , Noam Levi , Rylan Schaeffer , Jessica Chudnovsky , Abhay Puri , Bo He , Mehmet Donmez , Sanmi Koyejo , David Donoho

The scaling laws guiding modern model training were calibrated for a single regime: data-rich, single-epoch pretraining. The dominant such scaling law form, Chinchilla's $L = E + A/N^\alpha + B/D^\beta$, has three structural limitations…

Machine Learning · Computer Science 2026-05-12 Christopher M. Bryant , Hao Liu