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20232026
most citedA Sober Look at LLMs for Material Discovery: Are They Actually Good for Bayesian Optimization Over Molecules?

10 citations · 10 across the 18 of their papers we have counts for

collaborators

19 papers

cs.LG2026

Work While They Sleep: Exploiting Evaluation Latency for Fully Bayesian Optimization

Gustavo Sutter, Alejandro Comas-Leon, David Holzmüller +4

Black-box optimization problems are ubiquitous across science and engineering, often dealing with expensive objective functions. This objective latency has two consequences during…

cs.CL2026

Beyond Reference-Based Evaluation: Reward Models for Meta-Evaluation of Grammatical Error Correction

Ruotian Wu, Bill E. Johnson, Gene Saunders +3

Reference-based metrics for Grammatical Error Correction (GEC) such as M and ERRANT assume that the reference set enumerates all valid edits, and therefore often penalize corre…

cs.LG2026

Out-Of-The-Loop Multi-Fidelity Bayesian Optimization

Gustavo Sutter, Hao Wang, Luis Ricardez-Sandoval +2

Black-box optimization is a ubiquitous problem in science and engineering, often dealing with expensive objective functions with cheaper lower-fidelity proxies available. Multi-fid…

cs.HC2025

Chrysalis: A Unified System for Comparing Active Teaching and Passive Learning with AI Agents in Education

Prashanth Arun, Vinita Vader, Erya Xu +6

AI-assisted learning has seen a remarkable uptick over the last few years, mainly due to the rise in popularity of Large Language Models (LLMs). Their ability to hold long-form, na…

cs.CL2025

Time Is Effort: Estimating Human Post-Editing Time for Grammar Error Correction Tool Evaluation

Ankit Vadehra, Bill Johnson, Gene Saunders +1

Text editing can involve several iterations of revision. Incorporating an efficient Grammar Error Correction (GEC) tool in the initial correction round can significantly impact fur…

cs.LG2025

A Minimalist Method for Fine-tuning Text-to-Image Diffusion Models

Yanting Miao, William Loh, Pacal Poupart +1

Recent work uses reinforcement learning (RL) to fine-tune text-to-image diffusion models, improving text-image alignment and sample quality. However, existing approaches introduce…

cs.LG2025

Basis Transformers for Multi-Task Tabular Regression

Wei Min Loh, Jiaqi Shang, Pascal Poupart

Dealing with tabular data is challenging due to partial information, noise, and heterogeneous structure. Existing techniques often struggle to simultaneously address key aspects of…

cs.AI2025

Reflect-then-Plan: Offline Model-Based Planning through a Doubly Bayesian Lens

Jihwan Jeong, Xiaoyu Wang, Jingmin Wang +2

Offline reinforcement learning (RL) is crucial when online exploration is costly or unsafe but often struggles with high epistemic uncertainty due to limited data. Existing methods…

cs.LG2025

Simplifying Bayesian Optimization Via In-Context Direct Optimum Sampling

Gustavo Sutter Pessurno de Carvalho, Mohammed Abdulrahman, Hao Wang +7

The optimization of expensive black-box functions is ubiquitous in science and engineering. A common solution to this problem is Bayesian optimization (BO), which is generally comp…

cs.LG2025

Towards Cost-Effective Reward Guided Text Generation

Ahmad Rashid, Ruotian Wu, Rongqi Fan +3

Reward-guided text generation (RGTG) has emerged as a viable alternative to offline reinforcement learning from human feedback (RLHF). RGTG methods can align baseline language mode…

cs.RO2024

Learning Soft Driving Constraints from Vectorized Scene Embeddings while Imitating Expert Trajectories

Niloufar Saeidi Mobarakeh, Behzad Khamidehi, Chunlin Li +6

The primary goal of motion planning is to generate safe and efficient trajectories for vehicles. Traditionally, motion planning models are trained using imitation learning to mimic…

cs.LG2024

Uncertainty-Guided Likelihood Tree Search

Julia Grosse, Ruotian Wu, Ahmad Rashid +4

Tree search is a fundamental tool for planning, as many sequential decision-making problems can be framed as searching over tree-structured spaces. We propose an uncertainty-guided…

cs.LG2024

Confidence Aware Inverse Constrained Reinforcement Learning

Sriram Ganapathi Subramanian, Guiliang Liu, Mohammed Elmahgiubi +2

In coming up with solutions to real-world problems, humans implicitly adhere to constraints that are too numerous and complex to be specified completely. However, reinforcement lea…

cs.LG2024

How Useful is Intermittent, Asynchronous Expert Feedback for Bayesian Optimization?

Agustinus Kristiadi, Felix Strieth-Kalthoff, Sriram Ganapathi Subramanian +3

Bayesian optimization (BO) is an integral part of automated scientific discovery -- the so-called self-driving lab -- where human inputs are ideally minimal or at least non-blockin…

cs.LG2024

A Critical Look At Tokenwise Reward-Guided Text Generation

Ahmad Rashid, Ruotian Wu, Julia Grosse +2

Large language models (LLMs) can be improved by aligning with human preferences through fine-tuning -- the so-called reinforcement learning from human feedback (RLHF). However, the…

cs.LG2024

A Simple Mixture Policy Parameterization for Improving Sample Efficiency of CVaR Optimization

Yudong Luo, Yangchen Pan, Han Wang +2

Reinforcement learning algorithms utilizing policy gradients (PG) to optimize Conditional Value at Risk (CVaR) face significant challenges with sample inefficiency, hindering their…

cs.LG2024★ 10 cited

A Sober Look at LLMs for Material Discovery: Are They Actually Good for Bayesian Optimization Over Molecules?

Agustinus Kristiadi, Felix Strieth-Kalthoff, Marta Skreta +3

Automation is one of the cornerstones of contemporary material discovery. Bayesian optimization (BO) is an essential part of such workflows, enabling scientists to leverage prior d…

cs.LG2024

Calibrated One Round Federated Learning with Bayesian Inference in the Predictive Space

Mohsin Hasan, Guojun Zhang, Kaiyang Guo +2

Federated Learning (FL) involves training a model over a dataset distributed among clients, with the constraint that each client's dataset is localized and possibly heterogeneous.…

cs.LG2023

Preventing Arbitrarily High Confidence on Far-Away Data in Point-Estimated Discriminative Neural Networks

Ahmad Rashid, Serena Hacker, Guojun Zhang +2

Discriminatively trained, deterministic neural networks are the de facto choice for classification problems. However, even though they achieve state-of-the-art results on in-domain…