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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

The autoencoder is an unsupervised learning paradigm that aims to create a compact latent representation of data by minimizing the reconstruction loss. However, it tends to overlook the fact that most data (images) are embedded in a…

Machine Learning · Computer Science 2023-10-26 Alokendu Mazumder , Tirthajit Baruah , Bhartendu Kumar , Rishab Sharma , Vishwajeet Pattanaik , Punit Rathore

Black-box optimization is a powerful approach for discovering global optima in noisy and expensive black-box functions, a problem widely encountered in real-world scenarios. Recently, there has been a growing interest in leveraging domain…

Machine Learning · Computer Science 2024-02-06 Dat Phan-Trong , Hung The Tran , Alistair Shilton , Sunil Gupta

Multi-objective Bayesian optimization (MOBO) provides a principled framework for optimizing expensive black-box functions with multiple objectives. However, existing MOBO methods often struggle with coverage, scalability with respect to the…

Machine Learning · Computer Science 2026-04-20 Yaohong Yang , Sammie Katt , Samuel Kaski

Modern deep learning tools are remarkably effective in addressing intricate problems. However, their operation as black-box models introduces increased uncertainty in predictions. Additionally, they contend with various challenges,…

Machine Learning · Computer Science 2024-04-09 Sourav Ganguly , Saprativa Bhattacharjee

As deep Variational Auto-Encoder (VAE) frameworks become more widely used for modeling biomolecular simulation data, we emphasize the capability of the VAE architecture to concurrently maximize the timescale of the latent space while…

Chemical Physics · Physics 2021-12-08 Hannah K. Wayment-Steele , Vijay S. Pande

Bayesian optimization (BO) has for sequential optimization of expensive black-box functions demonstrated practicality and effectiveness in many real-world settings. Meta-Bayesian optimization (meta-BO) focuses on improving the sample…

Bayesian optimisation is a powerful tool to solve expensive black-box problems, but fails when the stationary assumption made on the objective function is strongly violated, which is the case in particular for ill-conditioned or…

Machine Learning · Statistics 2019-12-06 Victor Picheny , Sattar Vakili , Artem Artemev

Bayesian optimization (BO) is an efficient framework for optimization of black-box objectives when function evaluations are costly and gradient information is not easily accessible. BO has been successfully applied to automate the task of…

Machine Learning · Computer Science 2024-07-09 Pallavi Mitra , Felix Biessmann

Bayesian Optimization (BO) is a data-efficient method for global black-box optimization of an expensive-to-evaluate fitness function. BO typically assumes that computation cost of BO is cheap, but experiments are time consuming or costly.…

Machine Learning · Statistics 2016-08-18 Doniyor Ulmasov , Caroline Baroukh , Benoit Chachuat , Marc Peter Deisenroth , Ruth Misener

Bayesian optimization (BO) is a prominent approach to optimizing expensive-to-evaluate black-box functions. The massive computational capability of edge devices such as mobile phones, coupled with privacy concerns, has led to a surging…

Machine Learning · Computer Science 2020-10-23 Zhongxiang Dai , Kian Hsiang Low , Patrick Jaillet

Bayesian optimization (BO) is a framework for global optimization of expensive-to-evaluate objective functions. Classical BO methods assume that the objective function is a black box. However, internal information about objective function…

Machine Learning · Computer Science 2022-01-04 Raul Astudillo , Peter I. Frazier

Bayesian optimization is widely employed for optimizing complex black-box functions but struggles with the curse of dimensionality. Random embedding, as a dimension reduction strategy, simplifies tasks that possess the effective dimension…

Machine Learning · Computer Science 2026-05-26 Hong Qian , Xiang Shu , Xiang Xia , Xuhui Liu , Yangde Fu , Bei Liang , Huibin Wang , Liang Dou

We propose to use Bayesian optimization (BO) to improve the efficiency of the design selection process in clinical trials. BO is a method to optimize expensive black-box functions, by using a regression as a surrogate to guide the search.…

Methodology · Statistics 2021-05-20 Jakob Richter , Tim Friede , Jörg Rahnenführer

In recent years, leveraging parallel and distributed computational resources has become essential to solve problems of high computational cost. Bayesian optimization (BO) has shown attractive results in those expensive-to-evaluate problems…

Machine Learning · Statistics 2020-06-25 Masahiro Nomura

This paper deals with the identification of linear stochastic dynamical systems, where the unknowns include system coefficients and noise variances. Conventional approaches that rely on the maximum likelihood estimation (MLE) require…

Machine Learning · Statistics 2025-08-18 Jinwen Xu , Qin Lu , Yaakov Bar-Shalom

Bayesian optimization (BO) is well known to be sample-efficient for solving black-box problems. However, the BO algorithms can sometimes get stuck in suboptimal solutions even with plenty of samples. Intrinsically, such suboptimal problem…

Machine Learning · Computer Science 2025-01-24 Zhendong Guo , Yew-Soon Ong , Tiantian He , Haitao Liu

In neural architecture search (NAS) methods based on latent space optimization (LSO), a deep generative model is trained to embed discrete neural architectures into a continuous latent space. In this case, different optimization algorithms…

Machine Learning · Computer Science 2025-04-28 Xuan Rao , Bo Zhao , Derong Liu

Real-world optimization problems often involve complex objective functions with costly evaluations. While Bayesian optimization (BO) with Gaussian processes is effective for these challenges, it suffers in high-dimensional spaces due to…

Machine Learning · Computer Science 2024-12-17 Nobuo Namura , Sho Takemori

We introduce Output-Space Search (OS-Search), which turns LLM generation into endpoint search. An outer loop selects a target z* in a frozen encoder-defined 3D output space Z, and a retrieval-grounded policy trained with sequence-level RL…

Computation and Language · Computer Science 2026-01-30 Tobias Materzok