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Optimization on manifolds is a class of methods for optimization of an objective function, subject to constraints which are smooth, in the sense that the set of points which satisfy the constraints admits the structure of a differentiable…

Mathematical Software · Computer Science 2020-09-03 James Townsend , Niklas Koep , Sebastian Weichwald

Antibody lead optimization is inherently a multi-objective challenge in drug discovery. Achieving a balance between different drug-like properties is crucial for the development of viable candidates, and this search becomes exponentially…

Machine Learning · Computer Science 2026-04-16 Jackie Rao , Ferran Gonzalez Hernandez , Leon Gerard , Alexandra Gessner

Asynchronous distributed algorithms are a popular way to reduce synchronization costs in large-scale optimization, and in particular for neural network training. However, for nonsmooth and nonconvex objectives, few convergence guarantees…

Optimization and Control · Mathematics 2020-07-14 Vyacheslav Kungurtsev , Malcolm Egan , Bapi Chatterjee , Dan Alistarh

Bayesian optimization (BO) methods often rely on the assumption that the objective function is well-behaved, but in practice, this is seldom true for real-world objectives even if noise-free observations can be collected. Common approaches,…

Machine Learning · Statistics 2020-09-10 Erik Bodin , Markus Kaiser , Ieva Kazlauskaite , Zhenwen Dai , Neill D. F. Campbell , Carl Henrik Ek

SnadiOpt is a package that supports the use of the automatic differentiation package ADIFOR with the optimization package Snopt. Snopt is a general-purpose system for solving optimization problems with many variables and constraints. It…

Mathematical Software · Computer Science 2007-05-23 E. Michael Gertz , Philip E. Gill , Julia Muetherig

Many engineering applications rely on the evaluation of expensive, non-linear high-dimensional functions. In this paper, we propose the RONAALP algorithm (Reduced Order Nonlinear Approximation with Active Learning Procedure) to…

Fluid Dynamics · Physics 2023-11-20 Clément Scherding , Georgios Rigas , Denis Sipp , Peter J Schmid , Taraneh Sayadi

We develop parallel predictive entropy search (PPES), a novel algorithm for Bayesian optimization of expensive black-box objective functions. At each iteration, PPES aims to select a batch of points which will maximize the information gain…

Machine Learning · Computer Science 2015-11-24 Amar Shah , Zoubin Ghahramani

Bayesian optimization (BO) is a promising approach for hyperparameter optimization of deep neural networks (DNNs), where each model training can take minutes to hours. In BO, a computationally cheap surrogate model is employed to learn the…

Machine Learning · Computer Science 2023-09-27 Romain Egele , Isabelle Guyon , Venkatram Vishwanath , Prasanna Balaprakash

Portfolio optimisation is a multi-objective optimisation problem (MOP), where an investor aims to optimise the conflicting criteria of maximising a portfolio's expected return whilst minimising its risk and other costs. However, selecting a…

Computational Engineering, Finance, and Science · Computer Science 2021-07-06 Terence van Zyl , Matthew Woolway , Andrew Paskaramoorthy

The reliability redundancy allocation problem (RRAP) is a well-known tool in system design, development, and management. The RRAP is always modeled as a nonlinear mixed-integer non-deterministic polynomial-time hardness (NP-hard) problem.…

Neural and Evolutionary Computing · Computer Science 2020-06-18 Wei-Chang Yeh

Simultaneous Localization and Planning (SLAP) under process and measurement uncertainties is a challenge. It involves solving a stochastic control problem modeled as a Partially Observed Markov Decision Process (POMDP) in a general…

Robotics · Computer Science 2016-08-12 Mohammadhussein Rafieisakhaei , Suman Chakravorty , P. R. Kumar

The advent of multipoint (multicast-based) applications and the growth and complexity of the Internet has complicated network protocol design and evaluation. In this paper, we present a method for automatic synthesis of worst and best case…

Networking and Internet Architecture · Computer Science 2007-05-23 Ahmed Helmy , Sandeep Gupta , Deborah Estrin , Alberto Cerpa , Yan Yu

We present Proof-of-Perception (PoP), a tool-using framework that casts multimodal reasoning as an executable graph with explicit reliability guarantees. Each perception or logic node outputs a conformal set, yielding calibrated, stepwise…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Arya Fayyazi , Haleh Akrami

We consider multi-robot systems under recurring tasks formalized as linear temporal logic (LTL) specifications. To solve the planning problem efficiently, we propose a bottom-up approach combining offline plan synthesis with online…

Data and pipeline parallelism are key strategies for scaling neural network training across distributed devices, but their high communication cost necessitates co-located computing clusters with fast interconnects, limiting their…

Classical evolutionary approaches for multiobjective optimization are quite accurate but incur a lot of queries to the objectives; this can be prohibitive when objectives are expensive oracles. A sample-efficient approach to solving…

Optimization and Control · Mathematics 2025-02-18 Ashwin Renganathan , Kade E. Carlson

Generating overtaking trajectories in high-speed scenarios is typically addressed through hierarchical planning, which often suffers from local optima due to single initial solutions and low computational efficiency during numerical…

Robotics · Computer Science 2026-05-14 Wule Mao , Zhouheng Li , Entao Sun , Lei Xie , Hongye Su

Simultaneous localization and Planning (SLAP) is a crucial ability for an autonomous robot operating under uncertainty. In its most general form, SLAP induces a continuous POMDP (partially-observable Markov decision process), which needs to…

Many real-world applications require solving families of expensive multi-objective optimization problems~(EMOPs) under varying operational conditions. This can be formulated as parametric expensive multi-objective optimization problems…

Machine Learning · Computer Science 2026-05-11 Tingyang Wei , Jiao Liu , Abhishek Gupta , Chin Chun Ooi , Puay Siew Tan , Yew-Soon Ong

We describe a local surrogate model for use in conjunction with global structure search methods. The model follows the Gaussian approximation potential (GAP) formalism and is based on a the smooth overlap of atomic positions descriptor with…

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