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RNA inverse folding, designing sequences to form specific 3D structures, is critical for therapeutics, gene regulation, and synthetic biology. Current methods, focused on sequence recovery, struggle to address structural objectives like…

机器学习 · 计算机科学 2026-01-28 Qi Si , Xuyang Liu , Penglei Wang , Xin Guo , Yuan Qi , Yuan Cheng

Reinforcement learning (RL) with continuous time and state/action spaces is often data-intensive and brittle under nuisance variability and shift, motivating methods that exploit value-preserving structures to stabilize and improve…

机器学习 · 计算机科学 2026-05-08 Zuyuan Zhang , Fei Xu Yu , Tian Lan

Deep reinforcement learning (DRL) provides a promising way for learning navigation in complex autonomous driving scenarios. However, identifying the subtle cues that can indicate drastically different outcomes remains an open problem with…

机器学习 · 计算机科学 2021-03-25 Xiaobai Ma , Jiachen Li , Mykel J. Kochenderfer , David Isele , Kikuo Fujimura

In addition to the forward inference of materials properties using machine learning, generative deep learning techniques applied on materials science allow the inverse design of materials, i.e., assessing the…

材料科学 · 物理学 2024-10-01 Teng Long , Yixuan Zhang , Hongbin Zhang

We study the use of inverse reinforcement learning (IRL) as a tool for the recognition of agents' behavior on the basis of observation of their sequential decision behavior interacting with the environment. We model the problem faced by the…

机器学习 · 计算机科学 2013-03-22 Qifeng Qiao , Peter A. Beling

While Large Language Models (LLMs) demonstrate exceptional performance in surface-level text generation, their nature in handling complex multi-step reasoning tasks often remains one of ``statistical fitting'' rather than systematic logical…

机器学习 · 计算机科学 2026-01-27 Lianlei Shan , Han Chen , Yixuan Wang , Zhenjie Liu , Wei Li

Fine-tuning foundation models has emerged as a powerful approach for generating objects with specific desired properties. Reinforcement learning (RL) provides an effective framework for this purpose, enabling models to generate outputs that…

机器学习 · 计算机科学 2025-11-04 Pouya M. Ghari , Simone Sciabola , Ye Wang

Reinforcement learning (RL) methods learn optimal decisions in the presence of a stationary environment. However, the stationary assumption on the environment is very restrictive. In many real world problems like traffic signal control,…

机器学习 · 计算机科学 2020-06-08 Sindhu Padakandla , Prabuchandran K. J , Shalabh Bhatnagar

We study policy evaluation problems in multi-task reinforcement learning (RL) under a low-rank representation setting. In this setting, we are given $N$ learning tasks where the corresponding value function of these tasks lie in an…

机器学习 · 计算机科学 2025-03-05 Yitao Bai , Sihan Zeng , Justin Romberg , Thinh T. Doan

Most known regret bounds for reinforcement learning are either episodic or assume an environment without traps. We derive a regret bound without making either assumption, by allowing the algorithm to occasionally delegate an action to an…

机器学习 · 计算机科学 2019-07-22 Vanessa Kosoy

Incrementality, which is used to measure the causal effect of showing an ad to a potential customer (e.g. a user in an internet platform) versus not, is a central object for advertisers in online advertising platforms. This paper…

机器学习 · 计算机科学 2023-01-18 Ashwinkumar Badanidiyuru , Zhe Feng , Tianxi Li , Haifeng Xu

High-temperature superconductors are essential for next-generation energy and quantum technologies, yet their performance is often limited by the critical current density ($J_c$), which is strongly influenced by microstructural defects.…

材料科学 · 物理学 2025-10-28 Mouyang Cheng , Qiwei Wan , Bowen Yu , Eunbi Rha , Michael J Landry , Mingda Li

Protein inverse folding-that is, predicting an amino acid sequence that will fold into the desired 3D structure-is an important problem for structure-based protein design. Machine learning based methods for inverse folding typically use…

人工智能 · 计算机科学 2024-10-23 Yasha Ektefaie , Olivia Viessmann , Siddharth Narayanan , Drew Dresser , J. Mark Kim , Armen Mkrtchyan

Explicit engineering of reward functions for given environments has been a major hindrance to reinforcement learning methods. While Inverse Reinforcement Learning (IRL) is a solution to recover reward functions from demonstrations only,…

机器学习 · 计算机科学 2020-02-24 David Venuto , Jhelum Chakravorty , Leonard Boussioux , Junhao Wang , Gavin McCracken , Doina Precup

We present a method to probe rare molecular dynamics trajectories directly using reinforcement learning. We consider trajectories that are conditioned to transition between regions of configuration space in finite time, like those relevant…

统计力学 · 物理学 2022-01-07 Avishek Das , Dominic C. Rose , Juan P. Garrahan , David T. Limmer

The size and quality of chemical libraries to the drug discovery pipeline are crucial for developing new drugs or repurposing existing drugs. Existing techniques such as combinatorial organic synthesis and High-Throughput Screening usually…

Machine learning (ML) is emerging as a transformative tool for the design of architected materials, offering properties that far surpass those achievable through lab-based trial-and-error methods. However, a major challenge in current…

Action and observation delays commonly occur in many Reinforcement Learning applications, such as remote control scenarios. We study the anatomy of randomly delayed environments, and show that partially resampling trajectory fragments in…

机器学习 · 计算机科学 2021-05-06 Simon Ramstedt , Yann Bouteiller , Giovanni Beltrame , Christopher Pal , Jonathan Binas

Reinforcement learning (RL) approaches based on Markov Decision Processes (MDPs) are predominantly applied in the robot joint space, often relying on limited task-specific information and partial awareness of the 3D environment. In…

机器人学 · 计算机科学 2026-03-09 Bingkun Huang , Yuhe Gong , Zewen Yang , Tianyu Ren , Luis Figueredo

Long chain-of-thought (CoT) significantly enhances the reasoning capabilities of large language models (LLMs). However, extensive reasoning traces lead to inefficiencies and increased time-to-first-token (TTFT). We propose a training…

计算与语言 · 计算机科学 2026-01-08 Roy Xie , David Qiu , Deepak Gopinath , Dong Lin , Yanchao Sun , Chong Wang , Saloni Potdar , Bhuwan Dhingra
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