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Chemical space exploration underlies drug discovery, yet most generative models treat chemical space as a fixed, implicitly learned distribution, focusing on sampling molecules rather than deliberately designing the space itself. We…

Standard model-free reinforcement learning algorithms optimize a policy that generates the action to be taken in the current time step in order to maximize expected future return. While flexible, it faces difficulties arising from the…

Machine Learning · Computer Science 2022-02-07 Haichao Zhang , Wei Xu , Haonan Yu

Reinforcement learning algorithms struggle when the reward signal is very sparse. In these cases, naive random exploration methods essentially rely on a random walk to stumble onto a rewarding state. Recent works utilize intrinsic…

Machine Learning · Computer Science 2019-06-14 Hyoungseok Kim , Jaekyeom Kim , Yeonwoo Jeong , Sergey Levine , Hyun Oh Song

As image generative models continue to increase not only in their fidelity but also in their ubiquity the development of tools that leverage direct interaction with their internal mechanisms in an interpretable way has received little…

Computer Vision and Pattern Recognition · Computer Science 2025-10-20 Ilia Pavlov

We introduce Generator Matching, a modality-agnostic framework for generative modeling using arbitrary Markov processes. Generators characterize the infinitesimal evolution of a Markov process, which we leverage for generative modeling in a…

Machine Learning · Computer Science 2025-02-28 Peter Holderrieth , Marton Havasi , Jason Yim , Neta Shaul , Itai Gat , Tommi Jaakkola , Brian Karrer , Ricky T. Q. Chen , Yaron Lipman

AI-generated content has progressed from monolithic models to modular workflows, especially on platforms like ComfyUI, allowing users to customize complex creative pipelines. However, the large number of components in ComfyUI and the…

Artificial Intelligence · Computer Science 2026-01-08 Jinwei Su , Qizhen Lan , Zeyu Wang , Yinghui Xia , Hairu Wen , Yiqun Duan , Xi Xiao , Tianyu Shi , Yang Jingsong , Lewei He

We present a prototype of a software tool for exploration of multiple combinatorial optimisation problems in large real-world and synthetic complex networks. Our tool, called GraphCombEx (an acronym of Graph Combinatorial Explorer),…

Social and Information Networks · Computer Science 2018-05-15 David Chalupa , Ken A Hawick

Simulation has become an essential component of designing and developing scientific experiments. The conventional procedural approach to coding simulations of complex experiments is often error-prone, hard to interpret, and inflexible,…

Computational Physics · Physics 2023-08-09 Peter Sun , John A. Marohn

To tackle interpretability in deep learning, we present a novel framework to jointly learn a predictive model and its associated interpretation model. The interpreter provides both local and global interpretability about the predictive…

Machine Learning · Computer Science 2022-02-24 Jayneel Parekh , Pavlo Mozharovskyi , Florence d'Alché-Buc

Generative Artificial Intelligence (Generative AI) holds significant promise in reshaping interactive systems design, yet its potential across the four key phases of human-centered design remains underexplored. This article addresses this…

Human-Computer Interaction · Computer Science 2024-11-06 Marie Muehlhaus , Jürgen Steimle

Neural generative models can be used to learn complex probability distributions from data, to sample from them, and to produce probability density estimates. We propose a computational framework for developing neural generative models…

Machine Learning · Computer Science 2022-01-06 Alexander Ororbia , Daniel Kifer

Graph representation learning models aim to represent the graph structure and its features into low-dimensional vectors in a latent space, which can benefit various downstream tasks, such as node classification and link prediction. Due to…

Machine Learning · Computer Science 2023-04-27 Thanh Sang Nguyen , Jooho Lee , Van Thuy Hoang , O-Joun Lee

By sampling from the latent space of an autoencoder and decoding the latent space samples to the original data space, any autoencoder can simply be turned into a generative model. For this to work, it is necessary to model the autoencoder's…

Machine Learning · Statistics 2023-09-19 Maximilian Coblenz , Oliver Grothe , Fabian Kächele

The creative industry is both concerned and enthusiastic about how generative AI will reshape creativity. How might these tools interact with the workflow values of creative artists? In this paper, we adopt a value-sensitive design…

Human-Computer Interaction · Computer Science 2024-05-07 Ian P. Swift , Debaleena Chattopadhyay

Text-based games (TBGs) have emerged as an important collection of NLP tasks, requiring reinforcement learning (RL) agents to combine natural language understanding with reasoning. A key challenge for agents attempting to solve such tasks…

Computation and Language · Computer Science 2024-03-19 Kinjal Basu , Keerthiram Murugesan , Subhajit Chaudhury , Murray Campbell , Kartik Talamadupula , Tim Klinger

Consider a movie studio aiming to produce a set of new movies for summer release: What types of movies it should produce? Who would the movies appeal to? How many movies should it make? Similar issues are encountered by a variety of…

Information Retrieval · Computer Science 2018-08-06 Vinh Vo Thanh , Harold Soh

Complex systems show how surprising and beautiful phenomena can emerge from structures or agents following simple rules. With the recent success of deep reinforcement learning (RL), a natural path forward would be to use the capabilities of…

Multiagent Systems · Computer Science 2021-11-30 Ted Fujimoto

Mobile graphical user interface (GUI) agents enable AI models to autonomously operate smartphones on behalf of users. However, most existing systems focus primarily on optimizing task accuracy and rely on cloud-hosted models for inference,…

Artificial Intelligence · Computer Science 2026-05-27 Runxi Huang , Liyu Zhang , Shengzhong Liu , Xiaomin Ouyang

Generative models for source code are an interesting structured prediction problem, requiring to reason about both hard syntactic and semantic constraints as well as about natural, likely programs. We present a novel model for this problem…

Machine Learning · Computer Science 2019-04-18 Marc Brockschmidt , Miltiadis Allamanis , Alexander L. Gaunt , Oleksandr Polozov

Exploratory programming involves open-ended tasks. To evaluate their progress on these, programmers require frequent feedback and means to tell if the feedback they observe is bringing them in the right direction. Collecting, comparing, and…

Programming Languages · Computer Science 2025-03-03 Tom Beckmann , Joana Bergsiek , Eva Krebs , Toni Mattis , Stefan Ramson , Martin C. Rinard , Robert Hirschfeld