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Deep generative models are increasingly becoming integral parts of the in silico molecule design pipeline and have dual goals of learning the chemical and structural features that render candidate molecules viable while also being flexible…

Biomolecules · Quantitative Biology 2021-06-08 Yair Schiff , Vijil Chenthamarakshan , Karthikeyan Natesan Ramamurthy , Payel Das

Semantic hashing has become a crucial component of fast similarity search in many large-scale information retrieval systems, in particular, for text data. Variational auto-encoders (VAEs) with binary latent variables as hashing codes…

Machine Learning · Computer Science 2020-05-22 Siamak Zamani Dadaneh , Shahin Boluki , Mingzhang Yin , Mingyuan Zhou , Xiaoning Qian

Large Language Models (LLMs) remain vulnerable to optimization-based jailbreak attacks that exploit internal gradient structure. While Sparse Autoencoders (SAEs) are widely used for interpretability, their robustness implications remain…

Machine Learning · Computer Science 2026-04-22 Ahson Saiyed , Sabrina Sadiekh , Chirag Agarwal

Model-based deep reinforcement learning has achieved success in various domains that require high sample efficiencies, such as Go and robotics. However, there are some remaining issues, such as planning efficient explorations to learn more…

Machine Learning · Computer Science 2021-07-06 Yao Yao , Li Xiao , Zhicheng An , Wanpeng Zhang , Dijun Luo

This work proposes a unified framework for efficient estimation under latent space modeling of heterogeneous networks. We consider a class of latent space models that decompose latent vectors into shared and network-specific components…

Methodology · Statistics 2025-12-10 Yuang Tian , Jiajin Sun , Yinqiu He

Stochastic search algorithms are among the most sucessful approaches for solving hard combinatorial problems. A large class of stochastic search approaches can be cast into the framework of Las Vegas Algorithms (LVAs). As the run-time…

Artificial Intelligence · Computer Science 2013-02-01 Holger H. Hoos , Thomas Stutzle

We introduce Random Latent Exploration (RLE), a simple yet effective exploration strategy in reinforcement learning (RL). On average, RLE outperforms noise-based methods, which perturb the agent's actions, and bonus-based exploration, which…

Machine Learning · Computer Science 2025-02-28 Srinath Mahankali , Zhang-Wei Hong , Ayush Sekhari , Alexander Rakhlin , Pulkit Agrawal

Bayesian Optimization (BO) has been recognized for its effectiveness in optimizing expensive and complex objective functions. Recent advancements in Latent Bayesian Optimization (LBO) have shown promise by integrating generative models such…

Machine Learning · Computer Science 2025-04-22 Seunghun Lee , Jinyoung Park , Jaewon Chu , Minseo Yoon , Hyunwoo J. Kim

In this paper, we present CAESR, an hybrid learning-based coding approach for spatial scalability based on the versatile video coding (VVC) standard. Our framework considers a low-resolution signal encoded with VVC intra-mode as a…

Image and Video Processing · Electrical Eng. & Systems 2022-02-02 Charles Bonnineau , Wassim Hamidouche , Jean-François Travers , Naty Sidaty , Jean-Yves Aubié , Olivier Deforges

Extraction of low-dimensional latent space from high-dimensional observation data is essential to construct a real-time robot controller with a world model on the extracted latent space. However, there is no established method for tuning…

Machine Learning · Computer Science 2023-07-04 Taisuke Kobayashi , Ryoma Watanuki

Several fundamental problems in science and engineering consist of global optimization tasks involving unknown high-dimensional (black-box) functions that map a set of controllable variables to the outcomes of an expensive experiment.…

Machine Learning · Computer Science 2023-09-15 Mohamed Aziz Bhouri , Michael Joly , Robert Yu , Soumalya Sarkar , Paris Perdikaris

Variational Autoencoders (VAEs) are a powerful framework for learning latent representations of reduced dimensionality, while Neural ODEs excel in learning transient system dynamics. This work combines the strengths of both to generate fast…

Machine Learning · Computer Science 2025-02-27 Julius Aka , Johannes Brunnemann , Jörg Eiden , Arne Speerforck , Lars Mikelsons

Existing Meta-Black-Box Optimization (MetaBBO) methods focus on how to search when controlling optimizers, but largely overlook where to search. We propose MetaSG-SAEA, a bi-level MetaBBO framework for expensive constrained multi-objective…

Neural and Evolutionary Computing · Computer Science 2026-05-12 Yukun Du , Haiyue Yu , Jiang Jiang , Shuaiwen Tang , Xiaotong Xie , Haobo Liu , Chongshuang Hu , Shengkun Chang

We propose Learned Accept/Reject Sampling (LARS), a method for constructing richer priors using rejection sampling with a learned acceptance function. This work is motivated by recent analyses of the VAE objective, which pointed out that…

Machine Learning · Statistics 2019-04-29 Matthias Bauer , Andriy Mnih

Agentic search enables LLMs to solve complex multi-hop questions through iterative reasoning and external search. Despite the effectiveness, these systems often suffer from a critical limitation in practice: agents fail to recognize their…

Artificial Intelligence · Computer Science 2026-05-29 Yunbo Tang , Chengyi Yang , Shiyu Liu , Zhishang Xiang , Zerui Chen , Qinggang Zhang , Jinsong Su

A hallmark of variational autoencoders (VAEs) for text processing is their combination of powerful encoder-decoder models, such as LSTMs, with simple latent distributions, typically multivariate Gaussians. These models pose a difficult…

Computation and Language · Computer Science 2018-10-15 Jiacheng Xu , Greg Durrett

Bayesian optimization (BO) is a model-based approach to sequentially optimize expensive black-box functions, such as the validation error of a deep neural network with respect to its hyperparameters. In many real-world scenarios, the…

Machine Learning · Statistics 2019-10-17 Valerio Perrone , Iaroslav Shcherbatyi , Rodolphe Jenatton , Cedric Archambeau , Matthias Seeger

Variational autoencoders (VAEs), as an important aspect of generative models, have received a lot of research interests and reached many successful applications. However, it is always a challenge to achieve the consistency between the…

Machine Learning · Computer Science 2022-05-10 Xiaoyu Chen , Chen Gong , Qiang He , Xinwen Hou , Yu Liu

LLM self-evaluation relies on the LLM's own ability to estimate response correctness, which can greatly improve its deployment reliability. In this research track, we propose the Chain-of-Embedding (CoE) in the latent space to enable LLMs…

Computation and Language · Computer Science 2025-03-14 Yiming Wang , Pei Zhang , Baosong Yang , Derek F. Wong , Rui Wang

To solve large-scale or high-resolution topology optimization problem, a novel algorithm is developed based on modified bi-directional evolutionary structure optimization (BESO) and extended finite element method (XFEM). Within XFEM, a set…

Applied Physics · Physics 2026-04-07 Hongxin Wang , Jie Liu , Guilin Wen
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