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Surrogate models provide efficient alternatives to computationally demanding real world processes but often require large datasets for effective training. A promising solution to this limitation is the transfer of pre-trained surrogate…

Machine Learning · Computer Science 2025-05-14 Shuaiqun Pan , Diederick Vermetten , Manuel López-Ibáñez , Thomas Bäck , Hao Wang

When applying machine learning to problems in NLP, there are many choices to make about how to represent input texts. These choices can have a big effect on performance, but they are often uninteresting to researchers or practitioners who…

Computation and Language · Computer Science 2015-03-03 Dani Yogatama , Noah A. Smith

Optimization of real-world black-box functions defined over purely categorical variables is an active area of research. In particular, optimization and design of biological sequences with specific functional or structural properties have a…

Machine Learning · Computer Science 2022-02-25 Hamid Dadkhahi , Jesus Rios , Karthikeyan Shanmugam , Payel Das

We present a novel adaptive optimization algorithm for black-box multi-objective optimization problems with binary constraints on the foundation of Bayes optimization. Our method is based on probabilistic regression and classification…

Machine Learning · Statistics 2021-03-01 Raoul Heese , Michael Bortz

Transformer has become ubiquitous due to its dominant performance in various NLP and image processing tasks. However, it lacks understanding of how to generate mathematically grounded uncertainty estimates for transformer architectures.…

Computation and Language · Computer Science 2022-06-03 Karthik Abinav Sankararaman , Sinong Wang , Han Fang

Topology optimization enables the design of highly efficient and complex structures, but conventional iterative methods, such as SIMP-based approaches, often suffer from high computational costs and sensitivity to initial conditions.…

Computational Engineering, Finance, and Science · Computer Science 2025-09-18 Aaron Lutheran , Srijan Das , Alireza Tabarraei

In this paper, we consider the supervised pre-trained transformer for a class of sequential decision-making problems. The class of considered problems is a subset of the general formulation of reinforcement learning in that there is no…

Machine Learning · Computer Science 2024-10-03 Hanzhao Wang , Yu Pan , Fupeng Sun , Shang Liu , Kalyan Talluri , Guanting Chen , Xiaocheng Li

Machine learning (ML) algorithms are remarkably good at approximating complex non-linear relationships. Most ML training processes, however, are designed to deliver ML tools with good average performance, but do not offer any guarantees…

Machine Learning · Computer Science 2022-12-22 Rahul Nellikkath , Spyros Chatzivasileiadis

We address the problem of training models with black-box and hard-to-optimize metrics by expressing the metric as a monotonic function of a small number of easy-to-optimize surrogates. We pose the training problem as an optimization over a…

Machine Learning · Computer Science 2020-02-21 Qijia Jiang , Olaoluwa Adigun , Harikrishna Narasimhan , Mahdi Milani Fard , Maya Gupta

Global optimization of expensive, derivative-free black-box functions requires extreme sample efficiency. While Bayesian optimization (BO) is the current state-of-the-art, its performance hinges on surrogate and acquisition function…

This thesis examines self-attention training through the lens of Optimal Transport (OT) and develops an OT-based alternative for tabular classification. The study tracks intermediate projections of the self-attention layer during training…

Machine Learning · Statistics 2026-02-19 Alessandro Quadrio , Antonio Candelieri

Recently, neural networks trained as optimizers under the "learning to learn" or meta-learning framework have been shown to be effective for a broad range of optimization tasks including derivative-free black-box function optimization.…

Machine Learning · Computer Science 2019-10-03 Vishnu TV , Pankaj Malhotra , Jyoti Narwariya , Lovekesh Vig , Gautam Shroff

To analyze the scaling potential of deep tabular representation learning models, we introduce a novel Transformer-based architecture specifically tailored to tabular data and cross-table representation learning by utilizing table-specific…

Machine Learning · Computer Science 2023-10-02 Maximilian Schambach , Dominique Paul , Johannes S. Otterbach

Black-box optimization (BBO) involves functions that are unknown, inexact and/or expensive-to-evaluate. Existing BBO algorithms face several challenges, including high computational cost from extensive evaluations, difficulty in handling…

Optimization and Control · Mathematics 2025-09-26 Zixuan Zhang , Xiaowei Song , Jiaming Li , Yujiao Zeng , Yaling Nie , Min Zhu , Dongyun Lu , Yibo Zhang , Xin Xiao , Jie Li

In this theory paper, we investigate training deep neural networks (DNNs) for classification via minimizing the information bottleneck (IB) functional. We show that the resulting optimization problem suffers from two severe issues: First,…

Machine Learning · Computer Science 2020-08-10 Rana Ali Amjad , Bernhard C. Geiger

Recent years have seen a phenomenal rise in performance and applications of transformer neural networks. The family of transformer networks, including Bidirectional Encoder Representations from Transformer (BERT), Generative Pretrained…

Machine Learning · Computer Science 2023-07-18 Krishna Teja Chitty-Venkata , Sparsh Mittal , Murali Emani , Venkatram Vishwanath , Arun K. Somani

Transformers have shown outstanding results for natural language understanding and, more recently, for image classification. We here extend this work and propose a transformer-based approach for image retrieval: we adopt vision transformers…

Computer Vision and Pattern Recognition · Computer Science 2021-02-11 Alaaeldin El-Nouby , Natalia Neverova , Ivan Laptev , Hervé Jégou

Remarkable performance from Transformer networks in Natural Language Processing promote the development of these models in dealing with computer vision tasks such as image recognition and segmentation. In this paper, we introduce a novel…

Computer Vision and Pattern Recognition · Computer Science 2022-10-26 Qi Zhong , Xian-Feng Han

Designing optimisation algorithms that perform well in general requires experimentation on a range of diverse problems. Training neural networks is an optimisation task that has gained prominence with the recent successes of deep learning.…

Neural and Evolutionary Computing · Computer Science 2022-09-07 Katherine M. Malan , Christopher W. Cleghorn

The selection of the most appropriate algorithm to solve a given problem instance, known as algorithm selection, is driven by the potential to capitalize on the complementary performance of different algorithms across sets of problem…

Machine Learning · Computer Science 2024-06-12 Gjorgjina Cenikj , Ana Nikolikj , Gašper Petelin , Niki van Stein , Carola Doerr , Tome Eftimov