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The ability to predict future states of the environment is a central pillar of intelligence. At its core, effective prediction requires an internal model of the world and an understanding of the rules by which the world changes. Here, we…

Machine Learning · Computer Science 2016-01-21 William Lotter , Gabriel Kreiman , David Cox

Contrastive representation learning encourages data representation to make semantically similar pairs closer than randomly drawn negative samples, which has been successful in various domains such as vision, language, and graphs. Recent…

Machine Learning · Computer Science 2022-05-31 Han Bao , Yoshihiro Nagano , Kento Nozawa

The estimation of unknown values of parameters (or hidden variables, control variables) that characterise a physical system often relies on the comparison of measured data with synthetic data produced by some numerical simulator of the…

Machine Learning · Computer Science 2019-01-28 Xi Chen , Mike Hobson

Inverse modeling for computing a high-dimensional spatially-varying property field from indirect sparse and noisy observations is a challenging problem. This is due to the complex physical system of interest often expressed in the form of…

Computational Physics · Physics 2021-02-22 Govinda Anantha Padmanabha , Nicholas Zabaras

In this paper, we study the problem of semi-supervised structured output prediction, which aims to learn predictors for structured outputs, such as sequences, tree nodes, vectors, etc., from a set of data points of both input-output pairs…

Machine Learning · Computer Science 2016-04-12 Xin Du

We propose to solve a label ranking problem as a structured output regression task. We adopt a least square surrogate loss approach that solves a supervised learning problem in two steps: the regression step in a well-chosen feature space…

Machine Learning · Statistics 2018-07-09 Anna Korba , Alexandre Garcia , Florence d'Alché Buc

In design, fabrication, and control problems, we are often faced with the task of synthesis, in which we must generate an object or configuration that satisfies a set of constraints while maximizing one or more objective functions. The…

Machine Learning · Computer Science 2021-11-08 Xingyuan Sun , Tianju Xue , Szymon Rusinkiewicz , Ryan P. Adams

Crash simulations play an essential role in improving vehicle safety, design optimization, and injury risk estimation. Unfortunately, numerical solutions of such problems using state-of-the-art high-fidelity models require significant…

Machine Learning · Computer Science 2024-02-16 Jonas Kneifl , Jörg Fehr , Steven L. Brunton , J. Nathan Kutz

Many types of data from fields including natural language processing, computer vision, and bioinformatics, are well represented by discrete, compositional structures such as trees, sequences, or matchings. Latent structure models are a…

Machine Learning · Computer Science 2026-02-04 Vlad Niculae , Caio F. Corro , Nikita Nangia , Tsvetomila Mihaylova , André F. T. Martins

We propose a novel family of decision-aware surrogate losses, called Perturbation Gradient (PG) losses, for the predict-then-optimize framework. The key idea is to connect the expected downstream decision loss with the directional…

Machine Learning · Computer Science 2024-11-01 Michael Huang , Vishal Gupta

A successful approach to structured learning is to write the learning objective as a joint function of linear parameters and inference messages, and iterate between updates to each. This paper observes that if the inference problem is…

Machine Learning · Computer Science 2014-07-04 Justin Domke

For semi-supervised techniques to be applied safely in practice we at least want methods to outperform their supervised counterparts. We study this question for classification using the well-known quadratic surrogate loss function. Using a…

Machine Learning · Statistics 2016-02-26 Jesse H. Krijthe , Marco Loog

We study the problem of structured prediction under test-time budget constraints. We propose a novel approach applicable to a wide range of structured prediction problems in computer vision and natural language processing. Our approach…

Machine Learning · Statistics 2016-06-09 Tolga Bolukbasi , Kai-Wei Chang , Joseph Wang , Venkatesh Saligrama

The choice of loss function in classification involves a fundamental trade-off: smooth losses (like Cross-Entropy) enable fast optimization rates but yield slow square-root consistency bounds, while piecewise-linear losses (like Hinge)…

Machine Learning · Computer Science 2026-05-01 Mehryar Mohri , Yutao Zhong

The major challenge in designing a discriminative learning algorithm for predicting structured data is to address the computational issues arising from the exponential size of the output space. Existing algorithms make different assumptions…

Machine Learning · Computer Science 2010-06-29 Shankar Vembu

Surrogate models are used to reduce the burden of expensive-to-evaluate objective functions in optimization. By creating models which map genomes to objective values, these models can estimate the performance of unknown inputs, and so be…

Neural and Evolutionary Computing · Computer Science 2019-07-17 Alexander Hagg , Martin Zaefferer , Jörg Stork , Adam Gaier

Deep structured models are widely used for tasks like semantic segmentation, where explicit correlations between variables provide important prior information which generally helps to reduce the data needs of deep nets. However, current…

Machine Learning · Computer Science 2018-11-02 Colin Graber , Ofer Meshi , Alexander Schwing

Areas of computational mechanics such as uncertainty quantification and optimization usually involve repeated evaluation of numerical models that represent the behavior of engineering systems. In the case of complex nonlinear systems…

Machine Learning · Computer Science 2024-10-03 A. O. M. Kilicsoy , J. Liedmann , M. A. Valdebenito , F. -J. Barthold , M. G. R. Faes

Numerical solutions of partial differential equations (PDEs) require expensive simulations, limiting their application in design optimization, model-based control, and large-scale inverse problems. Surrogate modeling techniques seek to…

Computational Physics · Physics 2022-05-18 James Duvall , Karthik Duraisamy , Shaowu Pan

In many mechanistic medical, biological, physical and engineered spatiotemporal dynamic models the numerical solution of partial differential equations (PDEs) can make simulations impractically slow. Biological models require the…

Soft Condensed Matter · Physics 2021-02-11 J. Quetzalcóatl Toledo-Marín , Geoffrey Fox , James P. Sluka , James A. Glazier