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Motivation: Due to the central role of protein structure in molecular recognition, great computational efforts are devoted to modeling protein structures and motions that mediate structural rearrangements. The size, dimensionality, and…

Biomolecules · Quantitative Biology 2019-05-22 Kevin Molloy , Erion Plaku , Amarda Shehu

A robust-to-dynamics optimization (RDO) problem is an optimization problem specified by two pieces of input: (i) a mathematical program (an objective function $f:\mathbb{R}^n\rightarrow\mathbb{R}$ and a feasible set…

Optimization and Control · Mathematics 2023-11-27 Amir Ali Ahmadi , Oktay Gunluk

As predictive models are increasingly being deployed in high-stakes decision making (e.g., loan approvals), there has been growing interest in post hoc techniques which provide recourse to affected individuals. These techniques generate…

Machine Learning · Computer Science 2021-07-14 Sohini Upadhyay , Shalmali Joshi , Himabindu Lakkaraju

Robust control is a core approach for controlling systems with performance guarantees that are robust to modeling error, and is widely used in real-world systems. However, current robust control approaches can only handle small system…

Optimization and Control · Mathematics 2021-06-08 Dimitar Ho , Hoang M. Le , John C. Doyle , Yisong Yue

We present RoMoCo, an open-source C++ toolbox for the synthesis and evaluation of reduced-order model-based planners and whole-body controllers for bipedal and humanoid robots. RoMoCo's modular architecture unifies state-of-the-art planners…

Robotics · Computer Science 2025-09-25 Min Dai , Aaron D. Ames

As wide-field surveys yield ever more precise measurements, cosmology has entered a phase of high precision requiring highly accurate and fast theoretical predictions. At the heart of most cosmological model predictions is a numerical…

Cosmology and Nongalactic Astrophysics · Physics 2017-08-18 Alexandre Refregier , Lukas Gamper , Adam Amara , Lavinia Heisenberg

In neural combinatorial optimization (CO), reinforcement learning (RL) can turn a deep neural net into a fast, powerful heuristic solver of NP-hard problems. This approach has a great potential in practical applications because it allows…

Machine Learning · Computer Science 2021-07-14 Yeong-Dae Kwon , Jinho Choo , Byoungjip Kim , Iljoo Yoon , Youngjune Gwon , Seungjai Min

Within the domain of large language models, reinforcement fine-tuning algorithms necessitate the generation of a complete reasoning trajectory beginning from the input query, which incurs significant computational overhead during the…

Model-based reinforcement learning algorithms tend to achieve higher sample efficiency than model-free methods. However, due to the inevitable errors of learned models, model-based methods struggle to achieve the same asymptotic performance…

Machine Learning · Computer Science 2019-12-02 Qi Zhou , Houqiang Li , Jie Wang

This contribution is concerned with the following issue: can pretrained large language models (LLMs) be refined and customized to the point where they become virtual assistants helping experts with the effective use of a simulation tool? In…

Artificial Intelligence · Computer Science 2025-08-20 Jingquan Wang , Andrew Negrut , Harry Zhang , Khailanii Slaton , Shu Wang , Radu Serban , Jinlong Wu , Dan Negrut

Distributionally robust optimization (DRO) incorporates robustness against uncertainty in the specification of probabilistic models. This paper focuses on mitigating the curse of dimensionality in data-driven DRO problems with optimal…

Optimization and Control · Mathematics 2023-11-01 Lotfi M. Chaouach , Tom Oomen , Dimitris Boskos

Modular Reconfigurable Robots (MRRs) represent an exciting path forward for industrial robotics, opening up new possibilities for robot design. Compared to monolithic manipulators, they promise greater flexibility, improved maintainability,…

Robotics · Computer Science 2023-09-18 Jonathan Külz , Matthias Mayer , Matthias Althoff

Generative language models are increasingly being subjected to psychometric questionnaires intended for human testing, in efforts to establish their traits, as benchmarks for alignment, or to simulate participants in social science…

Computation and Language · Computer Science 2025-03-14 Julian Schelb , Orr Borin , David Garcia , Andreas Spitz

Robust model predictive control algorithms are essential for addressing unavoidable errors due to the uncertainty in predicting real-world systems. However, the formulation of such algorithms typically results in a trade-off between…

Systems and Control · Electrical Eng. & Systems 2025-04-25 Moritz Heinlein , Sankaranarayanan Subramanian , Sergio Lucia

At many scales in neuroscience, appropriate mathematical models take the form of complex dynamical systems. Parametrising such models to conform to the multitude of available experimental constraints is a global nonlinear optimisation…

This paper is concerned with personalized pricing models aimed at maximizing the expected revenues or profits for a single item. While it is essential for personalized pricing to predict the purchase probabilities for each consumer, these…

Optimization and Control · Mathematics 2024-07-23 Shunnosuke Ikeda , Naoki Nishimura , Noriyoshi Sukegawa , Yuichi Takano

General-purpose robot reward models are typically trained to predict absolute task progress from expert demonstrations, providing only local, frame-level supervision. While effective for expert demonstrations, this paradigm scales poorly to…

Within the mathematical finance literature there is a rich catalogue of mathematical models for studying algorithmic trading problems -- such as market-making and optimal execution -- in limit order books. This paper introduces \mbtgym, a…

Trading and Market Microstructure · Quantitative Finance 2022-09-20 Joseph Jerome , Leandro Sanchez-Betancourt , Rahul Savani , Martin Herdegen

Query optimizers in RDBMSs search for execution plans expected to be optimal for given queries. They use parameter estimates, often inaccurate, and make assumptions that may not hold in practice. Consequently, they may select plans that are…

Databases · Computer Science 2025-05-27 Amin Kamali , Verena Kantere , Calisto Zuzarte , Vincent Corvinelli

The optimal and robust design of structures has gained much attention in the past ten years due to the ever increasing need for manufacturers to build robust systems at the lowest cost. Reliability-based design optimization (RBDO) allows…

Applications · Statistics 2017-04-12 Vincent Dubourg , Jean-Marc Bourinet , Bruno Sudret
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