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Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures. Here, we assess how one state-of-the-art generative model, the physics-guided crystal generation model…

In recent years, numerous graph generative models (GGMs) have been proposed. However, evaluating these models remains a considerable challenge, primarily due to the difficulty in extracting meaningful graph features that accurately…

Machine Learning · Computer Science 2025-03-18 Chengen Wang , Murat Kantarcioglu

Learning parameters of latent graphical models (GM) is inherently much harder than that of no-latent ones since the latent variables make the corresponding log-likelihood non-concave. Nevertheless, expectation-maximization schemes are…

Machine Learning · Computer Science 2017-03-17 Sejun Park , Eunho Yang , Jinwoo Shin

Despite recent advances, goal-directed generation of structured discrete data remains challenging. For problems such as program synthesis (generating source code) and materials design (generating molecules), finding examples which satisfy…

Machine Learning · Computer Science 2020-10-26 Amina Mollaysa , Brooks Paige , Alexandros Kalousis

Time series anomaly prediction plays an essential role in many real-world scenarios, such as environmental prevention and prompt maintenance of cyber-physical systems. However, existing time series anomaly prediction methods mainly require…

Machine Learning · Computer Science 2025-12-05 Kai Zhao , Zhihao Zhuang , Chenjuan Guo , Hao Miao , Yunyao Cheng , Bin Yang

We propose an alternative approach to neural network training using the monotone vector field, an idea inspired by the seminal work of Juditsky and Nemirovski [Juditsky & Nemirovsky, 2019] developed originally to solve parameter estimation…

Machine Learning · Statistics 2024-03-13 Chen Xu , Xiuyuan Cheng , Yao Xie

Chaotic dynamical systems exhibit strong sensitivity to initial conditions and often contain unresolved multiscale processes, making deterministic forecasting fundamentally limited. Generative models offer an appealing alternative by…

Machine Learning · Computer Science 2026-01-01 Patrick Wyrod , Ashesh Chattopadhyay , Daniele Venturi

Probabilistic inference is a fundamental task in modern machine learning. Recent advances in tensor network (TN) contraction algorithms have enabled the development of better exact inference methods. However, many common inference tasks in…

Machine Learning · Computer Science 2024-09-10 Martin Roa-Villescas , Xuanzhao Gao , Sander Stuijk , Henk Corporaal , Jin-Guo Liu

Recent advancements in graph representation learning have shifted attention towards dynamic graphs, which exhibit evolving topologies and features over time. The increased use of such graphs creates a paramount need for generative models…

Machine Learning · Computer Science 2024-12-23 Ryien Hosseini , Filippo Simini , Venkatram Vishwanath , Henry Hoffmann

As the amount and complexity of available data increases, the need for robust statistical learning becomes more pressing. To enhance resilience against model misspecification, the generalized posterior inference method adjusts the…

Computation · Statistics 2024-09-04 Masahiro Tanaka

We present a probabilistic generative model and efficient algorithm to model reciprocity in directed networks. Unlike other methods that address this problem such as exponential random graphs, it assigns latent variables as community…

Social and Information Networks · Computer Science 2022-09-07 Hadiseh Safdari , Martina Contisciani , Caterina De Bacco

The problem of learning the structure of a high dimensional graphical model from data has received considerable attention in recent years. In many applications such as sensor networks and proteomics it is often expensive to obtain samples…

Machine Learning · Statistics 2016-04-08 Gautam Dasarathy , Aarti Singh , Maria-Florina Balcan , Jong Hyuk Park

This study presents a novel generative modeling approach to rainfall-runoff modeling, focusing on the synthesis of realistic daily catchment runoff time series in response to catchment-averaged climate forcing. Unlike traditional…

Geophysics · Physics 2024-09-11 Yang Yang , Ting Fong May Chui

Traffic forecasting is a challenging spatio-temporal modeling task and a critical component of urban transportation management. Current studies mainly focus on deterministic predictions, with limited considerations on the uncertainty and…

Machine Learning · Computer Science 2026-04-20 Weijiang Xiong , Robert Fonod , Nikolas Geroliminis

Traditional implicit generative models are capable of learning highly complex data distributions. However, their training involves distinguishing real data from synthetically generated data using adversarial discriminators, which can lead…

Machine Learning · Computer Science 2025-09-05 José Manuel de Frutos , Manuel A. Vázquez , Pablo Olmos , Joaquín Míguez

The goal of this paper is to deal with a data scarcity scenario where deep learning techniques use to fail. We compare the use of two well established techniques, Restricted Boltzmann Machines and Variational Auto-encoders, as generative…

Machine Learning · Computer Science 2020-03-02 Juan Maroñas , Roberto Paredes , Daniel Ramos

Memory units have been widely used to enrich the capabilities of deep networks on capturing long-term dependencies in reasoning and prediction tasks, but little investigation exists on deep generative models (DGMs) which are good at…

Machine Learning · Computer Science 2016-05-31 Chongxuan Li , Jun Zhu , Bo Zhang

A robust Learning Model Predictive Controller (LMPC) for uncertain systems performing iterative tasks is presented. At each iteration of the control task the closed-loop state, input and cost are stored and used in the controller design.…

Systems and Control · Electrical Eng. & Systems 2021-07-06 Ugo Rosolia , Xiaojing Zhang , Francesco Borrelli

In recent years fully-parametric fast simulation methods based on generative models have been proposed for a variety of high-energy physics detectors. By their nature, the quality of data-driven models degrades in the regions of the phase…

Machine Learning · Computer Science 2023-03-03 Lucio Anderlini , Constantine Chimpoesh , Nikita Kazeev , Agata Shishigina

We consider the inverse Ising problem, i.e. the inference of network couplings from observed spin trajectories for a model with continuous time Glauber dynamics. By introducing two sets of auxiliary latent random variables we render the…

Machine Learning · Statistics 2017-12-22 Christian Donner , Manfred Opper