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Disease-gene prediction (DGP) refers to the computational challenge of predicting associations between genes and diseases. Effective solutions to the DGP problem have the potential to accelerate the therapeutic development pipeline at early…

Machine Learning · Computer Science 2019-07-15 Vikash Singh , Pietro Lio'

Deep Symbolic Optimization (DSO) is a novel computational framework that enables symbolic optimization for scientific discovery, particularly in applications involving the search for intricate symbolic structures. One notable example is…

Symbolic regression (SR) has emerged as a pivotal technique for uncovering the intrinsic information within data and enhancing the interpretability of AI models. However, current state-of-the-art (sota) SR methods struggle to perform…

Machine Learning · Computer Science 2025-01-03 Chenglu Sun , Shuo Shen , Wenzhi Tao , Deyi Xue , Zixia Zhou

We consider the problem of generating private synthetic versions of real-world graphs containing private information while maintaining the utility of generated graphs. Differential privacy is a gold standard for data privacy, and the…

Machine Learning · Computer Science 2021-11-18 Xu Zheng , Nicholas McCarthy , Jer Hayes

The huge wealth of data in the health domain can be exploited to create models that predict development of health states over time. Temporal learning algorithms are well suited to learn relationships between health states and make…

Neural and Evolutionary Computing · Computer Science 2019-04-12 Mark Hoogendoorn , Ward van Breda , Jeroen Ruwaard

This paper is concerned with a state-space approach to deep Gaussian process (DGP) regression. We construct the DGP by hierarchically putting transformed Gaussian process (GP) priors on the length scales and magnitudes of the next level of…

Machine Learning · Statistics 2021-09-24 Zheng Zhao , Muhammad Emzir , Simo Särkkä

In the domain of geometry and topology optimization, discovering geometries that optimally satisfy specific problem criteria is a complex challenge in both engineering and scientific research. In this work, we propose a new approach for the…

Computational Physics · Physics 2024-11-26 Alexander Luce , Daniel Grünbaum , Florian Marquardt

Deep Gaussian processes (DGPs) are increasingly popular as predictive models in machine learning (ML) for their non-stationary flexibility and ability to cope with abrupt regime changes in training data. Here we explore DGPs as surrogates…

Methodology · Statistics 2021-08-27 Annie Sauer , Robert B. Gramacy , David Higdon

Many statistical problems involve optimization over a discrete parameter space having an unknown dimension. In such settings, gradient-based methods often fail due to the non-differentiability of the objective function or a non-convex or…

Applications · Statistics 2026-03-19 Mo Li , QiQi Lu , Robert Lund , Xueheng Shi

Gaussian processes (GPs) are a good choice for function approximation as they are flexible, robust to over-fitting, and provide well-calibrated predictive uncertainty. Deep Gaussian processes (DGPs) are multi-layer generalisations of GPs,…

Machine Learning · Statistics 2017-11-15 Hugh Salimbeni , Marc Deisenroth

Symbolic indefinite integration in Computer Algebra Systems such as Maple involves selecting the most effective algorithm from multiple available methods. Not all methods will succeed for a given problem, and when several do, the results,…

Symbolic Computation · Computer Science 2025-08-11 Rashid Barket , Matthew England , Jürgen Gerhard

Gaussian processes (GPs) have gained popularity as flexible machine learning models for regression and function approximation with an in-built method for uncertainty quantification. However, GPs suffer when the amount of training data is…

Machine Learning · Statistics 2025-11-26 Jonas Latz , Aretha L. Teckentrup , Simon Urbainczyk

A major challenge for machine learning is increasing the availability of data while respecting the privacy of individuals. Here we combine the provable privacy guarantees of the differential privacy framework with the flexibility of…

Machine Learning · Statistics 2019-01-18 Michael Thomas Smith , Max Zwiessele , Neil D. Lawrence

Hyper-heuristics have become a popular approach for solving dynamic flexible job shop scheduling (DFJSS) problems. They use gradient-free optimization techniques like Genetic Programming (GP) to evolve non-differentiable heuristics.…

Neural and Evolutionary Computing · Computer Science 2026-04-07 Meng Xu , Jiao Liu , Hua Yu , Yew Soon Ong

In the area of explainable artificial intelligence, Symbolic Regression (SR) has emerged as a promising approach by discovering interpretable mathematical expressions that fit data. However, SR faces two main challenges: most methods are…

Machine Learning · Computer Science 2025-11-18 Hussein Rajabu , Lijun Qian , Xishuang Dong

The structural design of functional molecules, also called molecular optimization, is an essential chemical science and engineering task with important applications, such as drug discovery. Deep generative models and combinatorial…

Machine Learning · Computer Science 2022-01-25 Tianfan Fu , Wenhao Gao , Cao Xiao , Jacob Yasonik , Connor W. Coley , Jimeng Sun

Symbolic regression (SR) seeks to recover closed-form mathematical expressions that describe observed data. While existing methods have advanced the discovery of either explicit mappings (i.e., $y = f(\mathbf{x})$) or discovering implicit…

Machine Learning · Computer Science 2025-08-20 Michael Scherk , Boyuan Chen

Symbolic Regression (SR) is a type of regression analysis to automatically find the mathematical expression that best fits the data. Currently, SR still basically relies on various searching strategies so that a sample-specific model is…

Computer Vision and Pattern Recognition · Computer Science 2022-06-16 Jiachen Li , Ye Yuan , Hong-Bin Shen

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

Symbolic Regression (SR) is a powerful technique for automatically discovering mathematical expressions from input data. Mainstream SR algorithms search for the optimal symbolic tree in a vast function space, but the increasing complexity…

Machine Learning · Computer Science 2026-02-03 Xinxin Li , Juan Zhang , Da Li , Xingyu Liu , Jin Xu , Junping Yin