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Non-stationarity is a fundamental challenge in multi-agent reinforcement learning (MARL), where agents update their behaviour as they learn. Many theoretical advances in MARL avoid the challenge of non-stationarity by coordinating the…

Computer Science and Game Theory · Computer Science 2025-03-19 Bora Yongacoglu , Gürdal Arslan , Serdar Yüksel

Chemical reaction networks are widely used to model stochastic dynamics in chemical kinetics, systems biology and epidemiology. Solving the chemical master equation that governs these systems poses a significant challenge due to the large…

Molecular Networks · Quantitative Biology 2025-12-16 Jiayu Weng , Xinyi Zhu , Jing Liu , Linyuan Lü , Pan Zhang , Ying Tang

We present a novel approach for the inverse problem in electrical impedance tomography based on regularized quadratic regression. Our contribution introduces a new formulation for the forward model in the form of a nonlinear integral…

Geophysics · Physics 2012-05-29 Nick Polydorides , Alireza Aghasi , Eric L. Miller

Epigenetic cell memory, the inheritance of gene expression patterns across subsequent cell divisions, is a critical property of multi-cellular organisms. In recent work [10], a subset of the authors observed in a simulation study how the…

Probability · Mathematics 2024-05-17 Simone Bruno , Felipe A. Campos , Yi Fu , Domitilla Del Vecchio , Ruth J. Williams

For highly automated driving above SAE level~3, behavior generation algorithms must reliably consider the inherent uncertainties of the traffic environment, e.g. arising from the variety of human driving styles. Such uncertainties can…

Artificial Intelligence · Computer Science 2021-02-08 Julian Bernhard , Stefan Pollok , Alois Knoll

Diffusion with stochastic resetting, instantaneous returns of a diffusing particle to a reference point, creates a stationary probability distribution. The paradigm is extended here to a doubly stochastic protocol in which the resetting…

Statistical Mechanics · Physics 2025-10-01 Maxence Arutkin , Shlomi Reuveni

This paper introduces the Sequential Monte Carlo Transformer, an original approach that naturally captures the observations distribution in a transformer architecture. The keys, queries, values and attention vectors of the network are…

Machine Learning · Computer Science 2020-12-16 Alice Martin , Charles Ollion , Florian Strub , Sylvain Le Corff , Olivier Pietquin

Models based on the Transformer architecture have achieved better accuracy than the ones based on competing architectures for a large set of tasks. A unique feature of the Transformer is its universal application of a self-attention…

Machine Learning · Computer Science 2020-10-01 Nan Ding , Xinjie Fan , Zhenzhong Lan , Dale Schuurmans , Radu Soricut

Attention mechanism is a significant part of Transformer models. It helps extract features from embedded vectors by adding global information and its expressivity has been proved to be powerful. Nevertheless, the quadratic complexity…

Machine Learning · Computer Science 2025-11-11 Hanwen Liu , Yixuan Ma , Shi Jin , Yuguang Wang

Motivated by the pressing challenges in the digital twin development for biomanufacturing systems, we introduce an adjoint sensitivity analysis (SA) approach to expedite the learning of mechanistic model parameters. In this paper, we…

Molecular Networks · Quantitative Biology 2024-07-02 Keilung Choy , Wei Xie

We study distributionally robust optimization with Sinkhorn distance -- a variant of Wasserstein distance based on entropic regularization. We derive a convex programming dual reformulation for general nominal distributions, transport…

Optimization and Control · Mathematics 2025-03-27 Jie Wang , Rui Gao , Yao Xie

Neighborhood-aware tokenized graph Transformers have recently shown great potential for node classification tasks. Despite their effectiveness, our in-depth analysis of neighborhood tokens reveals two critical limitations in the existing…

Machine Learning · Computer Science 2025-05-26 Chenyang Li , Jinsong Chen , John E. Hopcroft , Kun He

In structured prediction, the goal is to jointly predict many output variables that together encode a structured object -- a path in a graph, an entity-relation triple, or an ordering of objects. Such a large output space makes learning…

Machine Learning · Computer Science 2022-01-28 Kareem Ahmed , Eric Wang , Kai-Wei Chang , Guy Van den Broeck

The Transformer translation model is based on the multi-head attention mechanism, which can be parallelized easily. The multi-head attention network performs the scaled dot-product attention function in parallel, empowering the model by…

Computation and Language · Computer Science 2021-09-13 Hongfei Xu , Qiuhui Liu , Josef van Genabith , Deyi Xiong

Encoding the electronic structure of molecules using 2-electron reduced density matrices (2RDMs) as opposed to many-body wave functions has been a decades-long quest as the 2RDM contains sufficient information to compute the exact molecular…

Chemical Physics · Physics 2022-08-11 David Pekker , Chungwen Liang , Sankha Pattanayak , Swagatam Mukhopadhyay

This paper is concerned with a linear-quadratic partially observed Stackelberg stochastic differential game with correlated state and observation noises, where the diffusion coefficient does not contain the control variable and the control…

Optimization and Control · Mathematics 2021-05-25 Yueyang Zheng , Jingtao Shi

Adaptive experiments, including efficient average treatment effect estimation and multi-armed bandit algorithms, have garnered attention in various applications, such as social experiments, clinical trials, and online advertisement…

Methodology · Statistics 2021-03-24 Masahiro Kato

The Nonlinear autoregressive exogenous (NARX) model, which predicts the current value of a time series based upon its previous values as well as the current and past values of multiple driving (exogenous) series, has been studied for…

Machine Learning · Computer Science 2017-08-15 Yao Qin , Dongjin Song , Haifeng Chen , Wei Cheng , Guofei Jiang , Garrison Cottrell

Autoregressive (AR) models, common in sequence generation, are limited in many biological tasks such as de novo peptide sequencing and protein modeling by their unidirectional nature, failing to capture crucial global bidirectional token…

Machine Learning · Computer Science 2025-12-12 Xiang Zhang , Jiaqi Wei , Zijie Qiu , Sheng Xu , Zhi Jin , ZhiQiang Gao , Nanqing Dong , Siqi Sun

Trajectory prediction is fundamental to various intelligent technologies, such as autonomous driving and robotics. The motion prediction of pedestrians and vehicles helps emergency braking, reduces collisions, and improves traffic safety.…

Computer Vision and Pattern Recognition · Computer Science 2024-05-14 Yao Liu , Binghao Li , Xianzhi Wang , Claude Sammut , Lina Yao