activity
20202026
most citedGAUCHE: A Library for Gaussian Processes in Chemistry

34 citations · 100 across the 25 of their papers we have counts for

collaborators
Showing cs.LGShow all

21 papers · 1 filter

cs.LG2026

Active Real-World Factor-Based Evaluation for Generalist Robot Policies

Andrew Liao, Hanchen Cui, Karthik Desingh +1

Generalist robot manipulation policies trained on large, diverse datasets have shown remarkable promise across a wide range of tasks. However, rigorously evaluating these policies…

cs.LG2026

Aligning Language Models with Selective Prediction

Gaoxiang Luo, Yifan Wu, Sinian Zhang +2

Large language models (LLMs) are increasingly deployed as critical decision-making components in high-stakes real-world AI systems, rendering LLM reliability a foremost practical c…

cs.LG2025

Online Optimization for Offline Safe Reinforcement Learning

Yassine Chemingui, Aryan Deshwal, Alan Fern +2

We study the problem of Offline Safe Reinforcement Learning (OSRL), where the goal is to learn a reward-maximizing policy from fixed data under a cumulative cost constraint. We pro…

cs.LG2025

BO4Mob: Bayesian Optimization Benchmarks for High-Dimensional Urban Mobility Problem

Seunghee Ryu, Donghoon Kwon, Seongjin Choi +3

We introduce \textbf{BO4Mob}, a new benchmark framework for high-dimensional Bayesian Optimization (BO), driven by the challenge of origin-destination (OD) travel demand estimation…

cs.LG2025

COM-BOM: Bayesian Exemplar Search for Efficiently Exploring the Accuracy-Calibration Pareto Frontier

Gaoxiang Luo, Aryan Deshwal

Selecting an optimal set of exemplars is critical for good performance of in-context learning. However, prior exemplar search methods narrowly optimize for predictive accuracy, cri…

cs.LG2025

Learning Surrogates for Offline Black-Box Optimization via Gradient Matching

Minh Hoang, Azza Fadhel, Aryan Deshwal +2

Offline design optimization problem arises in numerous science and engineering applications including material and chemical design, where expensive online experimentation necessita…

cs.LG2024★ 1 cited

Constraint-Adaptive Policy Switching for Offline Safe Reinforcement Learning

Yassine Chemingui, Aryan Deshwal, Honghao Wei +2

Offline safe reinforcement learning (OSRL) involves learning a decision-making policy to maximize rewards from a fixed batch of training data to satisfy pre-defined safety constrai…

cs.LG2024

Sample-Efficient Bayesian Optimization with Transfer Learning for Heterogeneous Search Spaces

Aryan Deshwal, Sait Cakmak, Yuhou Xia +1

Bayesian optimization (BO) is a powerful approach to sample-efficient optimization of black-box functions. However, in settings with very few function evaluations, a successful app…

cs.LG2024

Streamflow Prediction with Uncertainty Quantification for Water Management: A Constrained Reasoning and Learning Approach

Mohammed Amine Gharsallaoui, Bhupinderjeet Singh, Supriya Savalkar +5

Predicting the spatiotemporal variation in streamflow along with uncertainty quantification enables decision-making for sustainable management of scarce water resources. Process-ba…

cs.LG2024

Offline Model-Based Optimization via Policy-Guided Gradient Search

Yassine Chemingui, Aryan Deshwal, Trong Nghia Hoang +1

Offline optimization is an emerging problem in many experimental engineering domains including protein, drug or aircraft design, where online experimentation to collect evaluation…

cs.LG2023★ 3 cited

Bayesian Optimization over High-Dimensional Combinatorial Spaces via Dictionary-based Embeddings

Aryan Deshwal, Sebastian Ament, Maximilian Balandat +3

We consider the problem of optimizing expensive black-box functions over high-dimensional combinatorial spaces which arises in many science, engineering, and ML applications. We us…

cs.LG2022★ 1 cited

Uncertainty-Aware Search Framework for Multi-Objective Bayesian Optimization

Syrine Belakaria, Aryan Deshwal, Nitthilan Kannappan Jayakodi +1

We consider the problem of multi-objective (MO) blackbox optimization using expensive function evaluations, where the goal is to approximate the true Pareto set of solutions while…

cs.LG2021

Bayesian Optimization over Permutation Spaces

Aryan Deshwal, Syrine Belakaria, Janardhan Rao Doppa +1

Optimizing expensive to evaluate black-box functions over an input space consisting of all permutations of d objects is an important problem with many real-world applications. For…

cs.LG2021★ 13 cited

Output Space Entropy Search Framework for Multi-Objective Bayesian Optimization

Syrine Belakaria, Aryan Deshwal, Janardhan Rao Doppa

We consider the problem of black-box multi-objective optimization (MOO) using expensive function evaluations (also referred to as experiments), where the goal is to approximate the…

cs.LG2021★ 5 cited

Combining Latent Space and Structured Kernels for Bayesian Optimization over Combinatorial Spaces

Aryan Deshwal, Janardhan Rao Doppa

We consider the problem of optimizing combinatorial spaces (e.g., sequences, trees, and graphs) using expensive black-box function evaluations. For example, optimizing molecules fo…

cs.LG2021★ 4 cited

Bayesian Optimization over Hybrid Spaces

Aryan Deshwal, Syrine Belakaria, Janardhan Rao Doppa

We consider the problem of optimizing hybrid structures (mixture of discrete and continuous input variables) via expensive black-box function evaluations. This problem arises in ma…

cs.LG2020

Mercer Features for Efficient Combinatorial Bayesian Optimization

Aryan Deshwal, Syrine Belakaria, Janardhan Rao Doppa

Bayesian optimization (BO) is an efficient framework for solving black-box optimization problems with expensive function evaluations. This paper addresses the BO problem setting fo…

cs.LG2020★ 3 cited

Optimizing Discrete Spaces via Expensive Evaluations: A Learning to Search Framework

Aryan Deshwal, Syrine Belakaria, Janardhan Rao Doppa +1

We consider the problem of optimizing expensive black-box functions over discrete spaces (e.g., sets, sequences, graphs). The key challenge is to select a sequence of combinatorial…

cs.LG2020★ 11 cited

Max-value Entropy Search for Multi-Objective Bayesian Optimization with Constraints

Syrine Belakaria, Aryan Deshwal, Janardhan Rao Doppa

We consider the problem of constrained multi-objective blackbox optimization using expensive function evaluations, where the goal is to approximate the true Pareto set of solutions…

cs.LG2020★ 9 cited

Uncertainty aware Search Framework for Multi-Objective Bayesian Optimization with Constraints

Syrine Belakaria, Aryan Deshwal, Janardhan Rao Doppa

We consider the problem of constrained multi-objective (MO) blackbox optimization using expensive function evaluations, where the goal is to approximate the true Pareto set of solu…

cs.LG2020★ 9 cited

Scalable Combinatorial Bayesian Optimization with Tractable Statistical models

Aryan Deshwal, Syrine Belakaria, Janardhan Rao Doppa

We study the problem of optimizing expensive blackbox functions over combinatorial spaces (e.g., sets, sequences, trees, and graphs). BOCS (Baptista and Poloczek, 2018) is a state-…