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Current mathematical frameworks for predicting the flux state and macromolecular composition of the cell do not rely on thermodynamic constraints to determine the spontaneous direction of reactions. These predictions may be biologically…

Optimization and Control · Mathematics 2020-08-14 Amir Akbari , Bernhard O. Palsson

Current single-cell foundation model benchmarks universally extract final layer embeddings, assuming these represent optimal feature spaces. We systematically evaluate layer-wise representations from scFoundation (100M parameters) and…

Artificial Intelligence · Computer Science 2026-04-17 Vincenzo Yuto Civale , Roberto Semeraro , Andrew David Bagdanov , Alberto Magi

Structural Health Monitoring (SHM) is a critical task for ensuring the safety and reliability of civil infrastructures, typically realized on bridges and viaducts by means of vibration monitoring. In this paper, we propose for the first…

Learning the response of single-cells to various treatments offers great potential to enable targeted therapies. In this context, neural optimal transport (OT) has emerged as a principled methodological framework because it inherently…

Machine Learning · Computer Science 2025-04-14 Alice Driessen , Benedek Harsanyi , Marianna Rapsomaniki , Jannis Born

Distributed control of large-scale systems is challenging due to the need for scalable and localized communication and computation. In this work, we introduce a Predictive System-Level Synthesis PredSLS framework that designs controllers by…

Systems and Control · Electrical Eng. & Systems 2025-08-20 Yifei Wu , Jing Yu , Tongxin Li

A specific challenge with deep learning approaches for molecule generation is generating both syntactically valid and chemically plausible molecular string representations. To address this, we propose a novel generative latent-variable…

Biomolecules · Quantitative Biology 2024-07-22 Ulrich A. Mbou Sob , Qiulin Li , Miguel Arbesú , Oliver Bent , Andries P. Smit , Arnu Pretorius

Predicting the impact of genomic and drug perturbations in cellular function is crucial for understanding gene functions and drug effects, ultimately leading to improved therapies. To this end, Causal Representation Learning (CRL)…

Sequential scaling is a prominent inference-time scaling paradigm, yet its performance improvements are typically modest and not well understood, largely due to the prevalence of heuristic, non-principled approaches that obscure clear…

Machine Learning · Computer Science 2026-02-03 Youkang Wang , Jian Wang , Rubing Chen , Tianyi Zeng , Xiao-Yong Wei , Qing Li

Serverless computing has emerged as a compelling solution for cloud-based model inference. However, as modern large language models (LLMs) continue to grow in size, existing serverless platforms often face substantial model startup…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-09 Minchen Yu , Rui Yang , Chaobo Jia , Zhaoyuan Su , Sheng Yao , Tingfeng Lan , Yuchen Yang , Zirui Wang , Yue Cheng , Wei Wang , Ao Wang , Ruichuan Chen

In this study, we revisit the spectral transfer model for the turbulent intensity in the passive scalar transport (under large-scale anisotropic forcing), and a subsequent modification to the scaling of scalar variance cascade is presented.…

Fluid Dynamics · Physics 2021-11-15 Ali Akhavan-Safaei , Mohsen Zayernouri

The stochastic simulation of large-scale biochemical reaction networks is of great importance for systems biology since it enables the study of inherently stochastic biological mechanisms at the whole cell scale. Stochastic Simulation…

Molecular Networks · Quantitative Biology 2017-10-30 Elias S. Manolakos , Elias Kouskoumvekakis

Generative recommendation models can model user behavior as sequences of events and provide a shared backbone for multiple recommendation tasks. In production, however, pre-training gains do not automatically translate into downstream…

Information Retrieval · Computer Science 2026-05-25 Qiuling Xu , Ko-Jen Hsiao , Moumita Bhattacharya

Long-term fluid dynamics forecasting is a critically important problem in science and engineering. While neural operators have emerged as a promising paradigm for modeling systems governed by partial differential equations (PDEs), they…

Machine Learning · Computer Science 2026-03-31 Huanshuo Dong , Hao Wu , Hong Wang , Qin-Yi Zhang , Zhezheng Hao

Single-cell trajectory analysis aims to reconstruct the biological developmental processes of cells as they evolve over time, leveraging temporal correlations in gene expression. During cellular development, gene expression patterns…

Applications · Statistics 2026-03-30 Junhao Zhu , Kevin Zhang , Zhaolei Zhang , Dehan Kong

We propose a novel \textit{capsule} based deep encoder-decoder model for surrogate modeling and uncertainty quantification of systems in mechanics from sparse data. The proposed framework is developed by adapting Capsule Network (CapsNet)…

Machine Learning · Statistics 2022-01-20 Akshay Thakur , Souvik Chakraborty

Scaling laws are useful guides for derisking expensive training runs, as they predict performance of large models using cheaper, small-scale experiments. However, there remain gaps between current scaling studies and how language models are…

While inference-time scaling has significantly enhanced generative quality in large language and diffusion models, its application to vector-quantized (VQ) visual autoregressive modeling (VAR) remains unexplored. We introduce VAR-Scaling,…

Computer Vision and Pattern Recognition · Computer Science 2026-01-13 Weidong Tang , Xinyan Wan , Siyu Li , Xiumei Wang

Predicting faults before they occur helps to avoid potential safety hazards. Furthermore, planning the required maintenance actions in advance reduces operation costs. In this article, the focus is on electrochemical cells. In order to…

Machine Learning · Computer Science 2020-07-28 Daniel Buades Marcos , Soumaya Yacout , Said Berriah

Recent developments in synthetic biology, next-generation sequencing, and machine learning provide an unprecedented opportunity to rationally design new disease treatments based on measured responses to gene perturbations and drugs to…

Molecular Networks · Quantitative Biology 2024-03-12 Thomas P. Wytock , Adilson E. Motter

The long-standing dominance of gradient-boosted decision trees for tabular data has recently been challenged by in-context learning tabular foundation models. In-context learning methods fit and predict in one forward pass without parameter…

Machine Learning · Computer Science 2026-02-06 Guri Zabërgja , Rafiq Kamel , Arlind Kadra , Christian M. M. Frey , Josif Grabocka