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Deep learning in computational biochemistry has traditionally focused on molecular graphs neural representations; however, recent advances in language models highlight how much scientific knowledge is encoded in text. To bridge these two…

Machine Learning · Computer Science 2023-07-26 Romain Lacombe , Andrew Gaut , Jeff He , David Lüdeke , Kateryna Pistunova

In reinforcement learning, the objective is almost always defined as a \emph{cumulative} function over the rewards along the process. However, there are many optimal control and reinforcement learning problems in various application fields,…

Machine Learning · Computer Science 2024-04-15 Wei Cui , Wei Yu

The nuclear fuel loading pattern optimization problem belongs to the class of large-scale combinatorial optimization. It is also characterized by multiple objectives and constraints, which makes it impossible to solve explicitly. Stochastic…

Machine Learning · Computer Science 2023-07-18 Paul Seurin , Koroush Shirvan

To learn a semantic parser from denotations, a learning algorithm must search over a combinatorially large space of logical forms for ones consistent with the annotated denotations. We propose a new online learning algorithm that searches…

Computation and Language · Computer Science 2017-09-04 Yuchen Zhang , Panupong Pasupat , Percy Liang

We study Reinforcement Learning for partially observable dynamical systems using function approximation. We propose a new \textit{Partially Observable Bilinear Actor-Critic framework}, that is general enough to include models such as…

Machine Learning · Computer Science 2022-06-27 Masatoshi Uehara , Ayush Sekhari , Jason D. Lee , Nathan Kallus , Wen Sun

Combinatorial optimization is frequently used in computer vision. For instance, in applications like semantic segmentation, human pose estimation and action recognition, programs are formulated for solving inference in Conditional Random…

Computer Vision and Pattern Recognition · Computer Science 2020-05-06 Safa Messaoud , Maghav Kumar , Alexander G. Schwing

For parameterized mixed-binary optimization problems, we construct local decision rules that prescribe near-optimal courses of action across a set of parameter values. The decision rules stem from solving risk-adaptive training problems…

Optimization and Control · Mathematics 2024-04-24 Johannes O. Royset , Miguel A. Lejeune

Reinforcement learning has gained wide popularity as a technique for simulation-driven approximate dynamic programming. A less known aspect is that the very reasons that make it effective in dynamic programming can also be leveraged for…

Machine Learning · Computer Science 2013-11-13 Vivek S. Borkar , Adwaitvedant S. Mathkar

Graph transformation formalisms have proven to be suitable tools for the modelling of chemical reactions. They are well established in theoretical studies and increasingly also in practical applications in chemistry. The latter is made…

Discrete Mathematics · Computer Science 2022-08-29 Jakob L. Andersen , Rolf Fagerberg , Juri Kolčák , Christophe V. F. P. Laurent , Daniel Merkle , Nikolai Nøjgaard

Reinforcement learning has shown promising results in learning neural network policies for complicated control tasks. However, the lack of formal guarantees about the behavior of such policies remains an impediment to their deployment. We…

Machine Learning · Computer Science 2023-12-05 Đorđe Žikelić , Mathias Lechner , Abhinav Verma , Krishnendu Chatterjee , Thomas A. Henzinger

Combinatorial optimisation problems framed as mixed integer linear programmes (MILPs) are ubiquitous across a range of real-world applications. The canonical branch-and-bound algorithm seeks to exactly solve MILPs by constructing a search…

Machine Learning · Computer Science 2023-03-16 Christopher W. F. Parsonson , Alexandre Laterre , Thomas D. Barrett

Modern language models rely on static vocabularies, fixed before pretraining, in contrast to the adaptive vocabulary acquisition observed in human language learning. To bridge this gap, we introduce vocabulary curriculum learning, an…

Computation and Language · Computer Science 2025-02-26 Fangyuan Yu

In many reinforcement learning (RL) applications, augmenting the task rewards with heuristic rewards that encode human priors about how a task should be solved is crucial for achieving desirable performance. However, because such heuristics…

Machine Learning · Computer Science 2025-07-09 Chi-Chang Lee , Zhang-Wei Hong , Pulkit Agrawal

This paper proposes an optimization-based framework for the analysis of multiperiod directed multihypergraphs aimed at identifying self-amplifying structures that sustain endogenous growth in complex systems. The approach captures the…

Optimization and Control · Mathematics 2026-04-15 Víctor Blanco , Ricardo Gázquez , Juan Francisco Ocaña-Rivas

Recent advances in large language models (LLMs) have increasingly relied on reinforcement learning (RL) to improve their reasoning capabilities. Three types of approaches have been widely adopted: The first relies on a deep neural network…

Machine Learning · Computer Science 2026-05-19 Shijin Gong , Kai Ye , Jin Zhu , Xinyu Zhang , Hongyi Zhou , Chengchun Shi

Reinforcement learning is emerging as a primary driver for improving language model reasoning capabilities. A fundamental question is whether current reinforcement learning algorithms -- such as Group Relative Policy Optimization (GRPO),…

Machine Learning · Computer Science 2025-06-23 Andre He , Daniel Fried , Sean Welleck

Backpropagation of error (backprop) is a powerful algorithm for training machine learning architectures through end-to-end differentiation. However, backprop is often criticised for lacking biological plausibility. Recently, it has been…

Machine Learning · Computer Science 2020-10-07 Beren Millidge , Alexander Tschantz , Christopher L. Buckley

Uncertainty in optimization is often represented as stochastic parameters in the optimization model. In Predict-Then-Optimize approaches, predictions of a machine learning model are used as values for such parameters, effectively…

Machine Learning · Computer Science 2025-12-03 Pieter Smet

Integration of reinforcement learning and imitation learning is an important problem that has been studied for a long time in the field of intelligent robotics. Reinforcement learning optimizes policies to maximize the cumulative reward,…

Machine Learning · Computer Science 2023-01-18 Akira Kinose , Tadahiro Taniguchi

We address the problem of computing reliable policies in reinforcement learning problems with limited data. In particular, we compute policies that achieve good returns with high confidence when deployed. This objective, known as the…

Machine Learning · Computer Science 2021-03-01 Bahram Behzadian , Reazul Hasan Russel , Marek Petrik , Chin Pang Ho
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