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Self-supervised neural language models have recently found wide applications in generative design of organic molecules and protein sequences as well as representation learning for downstream structure classification and functional…

Materials Science · Physics 2022-09-21 Lai Wei , Nihang Fu , Yuqi Song , Qian Wang , Jianjun Hu

Preconditioning is at the heart of iterative solutions of large, sparse linear systems of equations in scientific disciplines. Several algebraic approaches, which access no information beyond the matrix itself, are widely studied and used,…

Numerical Analysis · Mathematics 2025-01-28 Jie Chen

Training Generative Adversarial Networks (GANs) remains a challenging problem. The discriminator trains the generator by learning the distribution of real/generated data. However, the distribution of generated data changes throughout the…

Computer Vision and Pattern Recognition · Computer Science 2024-01-05 Wentian Zhang , Haozhe Liu , Bing Li , Jinheng Xie , Yawen Huang , Yuexiang Li , Yefeng Zheng , Bernard Ghanem

Large Neighborhood Search (LNS) is a combinatorial optimization heuristic that starts with an assignment of values for the variables to be optimized, and iteratively improves it by searching a large neighborhood around the current…

Optimization and Control · Mathematics 2022-05-23 Nicolas Sonnerat , Pengming Wang , Ira Ktena , Sergey Bartunov , Vinod Nair

We present a new approach to learning for planning, where knowledge acquired while solving a given set of planning problems is used to plan faster in related, but new problem instances. We show that a deep neural network can be used to…

Artificial Intelligence · Computer Science 2018-07-26 Edward Groshev , Maxwell Goldstein , Aviv Tamar , Siddharth Srivastava , Pieter Abbeel

We propose a framework of generative adversarial networks with multiple discriminators, which collaborate to represent a real dataset more effectively. Our approach facilitates learning a generator consistent with the underlying data…

Machine Learning · Computer Science 2024-04-04 Jinyoung Choi , Bohyung Han

Numerous real-world decision-making problems can be formulated and solved using Mixed-Integer Linear Programming (MILP) models. However, the transformation of these problems into MILP models heavily relies on expertise in operations…

Optimization and Control · Mathematics 2023-11-28 Qingyang Li , Lele Zhang , Vicky Mak-Hau

Deep learning-based grasp prediction models have become an industry standard for robotic bin-picking systems. To maximize pick success, production environments are often equipped with several end-effector tools that can be swapped…

Robotics · Computer Science 2023-02-17 Khashayar Rohanimanesh , Jake Metzger , William Richards , Aviv Tamar

Probabilistic graphical modeling (PGM) provides a framework for formulating an interpretable generative process of data and expressing uncertainty about unknowns, but it lacks flexibility. Deep learning (DL) is an alternative framework for…

Machine Learning · Statistics 2021-04-27 Adji B. Dieng

Generative adversarial imitation learning (GAIL) demonstrates tremendous success in practice, especially when combined with neural networks. Different from reinforcement learning, GAIL learns both policy and reward function from expert…

Machine Learning · Computer Science 2020-06-26 Yufeng Zhang , Qi Cai , Zhuoran Yang , Zhaoran Wang

Machine learning components commonly appear in larger decision-making pipelines; however, the model training process typically focuses only on a loss that measures accuracy between predicted values and ground truth values. Decision-focused…

Machine Learning · Computer Science 2019-07-19 Aaron Ferber , Bryan Wilder , Bistra Dilkina , Milind Tambe

In this paper, we investigate the constraint typology of mixed-integer linear programming MILP formulations. MILP is a commonly used mathematical programming technique for modelling and solving real-life scheduling, routing, planning,…

Artificial Intelligence · Computer Science 2021-03-02 Vicky Mak-Hau , John Yearwood , William Moran

We propose an ML-based model that automates and expedites the solution of MIPs by predicting the values of variables. Our approach is motivated by the observation that many problem instances share salient features and solution structures…

Optimization and Control · Mathematics 2023-02-24 Konstantinos Benidis , Ugo Rosolia , Syama Rangapuram , George Iosifidis , Georgios Paschos

This paper presents a novel approach to the joint optimization of job scheduling and data allocation in grid computing environments. We formulate this joint optimization problem as a mixed integer quadratically constrained program. To…

In this work, we introduce Adapt & Align, a method for continual learning of neural networks by aligning latent representations in generative models. Neural Networks suffer from abrupt loss in performance when retrained with additional…

Machine Learning · Computer Science 2023-12-22 Kamil Deja , Bartosz Cywiński , Jan Rybarczyk , Tomasz Trzciński

The capability of making interpretable and self-explanatory decisions is essential for developing responsible machine learning systems. In this work, we study the learning to explain problem in the scope of inductive logic programming…

Artificial Intelligence · Computer Science 2020-02-20 Yuan Yang , Le Song

A large number of real-world optimization problems can be formulated as Mixed Integer Linear Programs (MILP). MILP solvers expose numerous configuration parameters to control their internal algorithms. Solutions, and their associated costs…

Machine Learning · Computer Science 2023-07-04 Abdelrahman Hosny , Sherief Reda

Recently, machine learning has been introduced in the inverse design of physical devices, i.e., the automatic generation of device geometries for a desired physical response. In particular, generative adversarial networks have been proposed…

Optics · Physics 2025-02-18 Timo Gahlmann , Philippe Tassin

Adaptive inference is a promising technique to improve the computational efficiency of deep models at test time. In contrast to static models which use the same computation graph for all instances, adaptive networks can dynamically adjust…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Hao Li , Hong Zhang , Xiaojuan Qi , Ruigang Yang , Gao Huang

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

Machine Learning · Computer Science 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler