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Molecular design based on generative models, such as variational autoencoders (VAEs), has become increasingly popular in recent years due to its efficiency for exploring high-dimensional molecular space to identify molecules with desired…

Machine Learning · Computer Science 2024-08-13 A N M Nafiz Abeer , Nathan Urban , M Ryan Weil , Francis J. Alexander , Byung-Jun Yoon

Making the most of next-generation galaxy clustering surveys requires overcoming challenges in complex, non-linear modelling to access the significant amount of information at smaller cosmological scales. Field-level inference has provided…

Cosmology and Nongalactic Astrophysics · Physics 2025-10-02 Ludvig Doeser , Metin Ata , Jens Jasche

We study deep state-space models (Deep SSMs) that contain linear quadratic-output (LQO) systems as internal blocks and present a compression method with a provable output error guarantee. We first derive an upper bound on the output error…

Systems and Control · Electrical Eng. & Systems 2026-05-27 Hiroki Sakamoto , Kazuhiro Sato

Latent Bayesian optimization (LBO) approaches have successfully adopted Bayesian optimization over a continuous latent space by employing an encoder-decoder architecture to address the challenge of optimization in a high dimensional or…

Machine Learning · Computer Science 2024-11-11 Jaewon Chu , Jinyoung Park , Seunghun Lee , Hyunwoo J. Kim

Solving inverse problems in scientific and engineering fields has long been intriguing and holds great potential for many applications, yet most techniques still struggle to address issues such as high dimensionality, nonlinearity and model…

Machine Learning · Computer Science 2024-05-24 Qiuyi Chen , Panagiotis Tsilifis , Mark Fuge

Lithography, transferring chip design masks to the silicon wafer, is the most important phase in modern semiconductor manufacturing flow. Due to the limitations of lithography systems, Extensive design optimizations are required to tackle…

Machine Learning · Computer Science 2024-05-07 Haoyu Yang , Haoxing Ren

The traditional approach of hand-crafting priors (such as sparsity) for solving inverse problems is slowly being replaced by the use of richer learned priors (such as those modeled by generative adversarial networks, or GANs). In this work,…

Machine Learning · Computer Science 2018-10-09 Chinmay Hegde

Conventional neural autoregressive decoding commonly assumes a fixed left-to-right generation order, which may be sub-optimal. In this work, we propose a novel decoding algorithm -- InDIGO -- which supports flexible sequence generation in…

Computation and Language · Computer Science 2019-10-29 Jiatao Gu , Qi Liu , Kyunghyun Cho

Computed Tomography (CT) is a prominent example of Imaging Inverse Problem highlighting the unrivaled performances of data-driven methods in degraded measurements setups like sparse X-ray projections. Although a significant proportion of…

Computer Vision and Pattern Recognition · Computer Science 2024-05-01 Thomas Braure , Delphine Lazaro , David Hateau , Vincent Brandon , Kévin Ginsburger

In the last twenty-five years (1990-2014), algorithmic advances in integer optimization combined with hardware improvements have resulted in an astonishing 200 billion factor speedup in solving Mixed Integer Optimization (MIO) problems. We…

Methodology · Statistics 2015-07-14 Dimitris Bertsimas , Angela King , Rahul Mazumder

Optimizing high-dimensional and complex black-box functions is crucial in numerous scientific applications. While Bayesian optimization (BO) is a powerful method for sample-efficient optimization, it struggles with the curse of…

Machine Learning · Computer Science 2025-07-08 Taeyoung Yun , Kiyoung Om , Jaewoo Lee , Sujin Yun , Jinkyoo Park

Aligning large language models (LLMs) with human preferences usually requires fine-tuning methods such as RLHF and DPO. These methods directly optimize the model parameters, so they cannot be used in test-time to improve model performance,…

Machine Learning · Computer Science 2025-07-04 Xinnan Zhang , Chenliang Li , Siliang Zeng , Jiaxiang Li , Zhongruo Wang , Kaixiang Lin , Songtao Lu , Alfredo Garcia , Mingyi Hong

In this paper, we focus on unsupervised learning for Video Object Segmentation (VOS) which learns visual correspondence (i.e., the similarity between pixel-level features) from unlabeled videos. Previous methods are mainly based on the…

Computer Vision and Pattern Recognition · Computer Science 2022-10-25 Xiao Pan , Peike Li , Zongxin Yang , Huiling Zhou , Chang Zhou , Hongxia Yang , Jingren Zhou , Yi Yang

Learning from human feedback typically relies on preference optimization that constrains policy updates through token-level regularization. However, preference optimization for language models is particularly challenging because token-space…

Machine Learning · Computer Science 2026-02-03 Enyi Jiang , Yibo Jacky Zhang , Yinglun Xu , Andreas Haupt , Nancy Amato , Sanmi Koyejo

Embedding parameterized optimization problems as layers into machine learning architectures serves as a powerful inductive bias. Training such architectures with stochastic gradient descent requires care, as degenerate derivatives of the…

Machine Learning · Computer Science 2024-12-16 Anselm Paulus , Georg Martius , Vít Musil

We propose a novel high-dimensional linear regression estimator: the Discrete Dantzig Selector, which minimizes the number of nonzero regression coefficients subject to a budget on the maximal absolute correlation between the features and…

Methodology · Statistics 2017-01-20 Rahul Mazumder , Peter Radchenko

The ever-increasing parameter counts of deep learning models necessitate effective compression techniques for deployment on resource-constrained devices. This paper explores the application of information geometry, the study of…

Machine Learning · Computer Science 2025-07-15 Zakhar Shumaylov , Vasileios Tsiaras , Yannis Stylianou

A large number of objectives have been proposed to train latent variable generative models. We show that many of them are Lagrangian dual functions of the same primal optimization problem. The primal problem optimizes the mutual information…

Machine Learning · Statistics 2018-07-10 Shengjia Zhao , Jiaming Song , Stefano Ermon

Black-Box Optimization (BBO) methods can find optimal policies for systems that interact with complex environments with no analytical representation. As such, they are of interest in many Artificial Intelligence (AI) domains. Yet classical…

Machine Learning · Computer Science 2020-06-17 Mor Sinay , Elad Sarafian , Yoram Louzoun , Noa Agmon , Sarit Kraus

The emergence of huge-scale, data-intensive linear optimization (LO) problems in applications such as machine learning has driven the need for more computationally efficient interior point methods (IPMs). While conventional IPMs are…