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Investigating conformational landscapes of proteins is a crucial way to understand their biological functions and properties. AlphaFlow stands out as a sequence-conditioned generative model that introduces flexibility into structure…

Machine Learning · Computer Science 2024-07-18 Shaoning Li , Mingyu Li , Yusong Wang , Xinheng He , Nanning Zheng , Jian Zhang , Pheng-Ann Heng

Portfolio Selection is an important real-world financial task and has attracted extensive attention in artificial intelligence communities. This task, however, has two main difficulties: (i) the non-stationary price series and complex asset…

Machine Learning · Computer Science 2020-03-09 Yifan Zhang , Peilin Zhao , Qingyao Wu , Bin Li , Junzhou Huang , Mingkui Tan

Reinforcement learning algorithms are defined by their learning update rules, which are typically hand-designed and fixed. We present an evolutionary framework for discovering reinforcement learning algorithms by searching directly over…

Machine Learning · Computer Science 2026-03-31 Alkis Sygkounas , Amy Loutfi , Andreas Persson

Generative Flow Networks (GFlowNets) were developed to learn policies for efficiently sampling combinatorial candidates by interpreting their generative processes as trajectories in directed acyclic graphs. In the value-based training…

Machine Learning · Computer Science 2026-03-03 Puhua Niu , Shili Wu , Xiaoning Qian

The imperative of user privacy protection and regulatory compliance necessitates sensitive data removal in model training, yet this process often induces distributional shifts that undermine model performance-particularly in…

Machine Learning · Computer Science 2025-09-30 Wenhao Yang , Lin Li , Xiaohui Tao , Kaize Shi

Existing active learning (AL) strategies capture fundamentally different notions of data value, e.g., uncertainty or representativeness. Consequently, the effectiveness of strategies can vary substantially across datasets, models, and even…

Machine Learning · Computer Science 2026-03-27 Denis Huseljic , Marek Herde , Lukas Rauch , Paul Hahn , Bernhard Sick

A common theme in causal inference is learning causal relationships between observed variables, also known as causal discovery. This is usually a daunting task, given the large number of candidate causal graphs and the combinatorial nature…

Machine Learning · Statistics 2022-10-11 Romain Lopez , Jan-Christian Hütter , Jonathan K. Pritchard , Aviv Regev

Latent factor model estimation typically relies on either using domain knowledge to manually pick several observed covariates as factor proxies, or purely conducting multivariate analysis such as principal component analysis. However, the…

Methodology · Statistics 2023-01-04 Runzhe Wan , Yingying Li , Wenbin Lu , Rui Song

The choice of activation function is an active area of research, with different proposals aimed at improving optimization, while maintaining expressivity. Additionally, the activation function can significantly alter the implicit inductive…

Machine Learning · Computer Science 2026-02-06 Alex Vitvitskyi , Michael Boratko , Matej Grcic , Razvan Pascanu , Deep Shah , Petar Veličković

The analyst effort in data cleaning is gradually shifting away from the design of hand-written scripts to building and tuning complex pipelines of automated data cleaning libraries. Hyper-parameter tuning for data cleaning is very different…

Databases · Computer Science 2019-05-08 Sanjay Krishnan , Eugene Wu

Retrieval-Augmented Generation (RAG) prevails in Large Language Models. It mainly consists of retrieval and generation. The retrieval modules (a.k.a. retrievers) aim to find useful information used to facilitate the generation modules…

Information Retrieval · Computer Science 2025-02-18 Xinping Zhao , Yan Zhong , Zetian Sun , Xinshuo Hu , Zhenyu Liu , Dongfang Li , Baotian Hu , Min Zhang

Instead of conducting manual factor construction based on traditional and behavioural finance analysis, academic researchers and quantitative investment managers have leveraged Genetic Programming (GP) as an automatic feature construction…

Statistical Finance · Quantitative Finance 2020-10-14 Jie Fang , Jianwu Lin , Shutao Xia , Yong Jiang , Zhikang Xia , Xiang Liu

The performance of a deep neural network is heavily dependent on its architecture and various neural architecture search strategies have been developed for automated network architecture design. Recently, evolutionary neural architecture…

Neural and Evolutionary Computing · Computer Science 2020-03-27 Haoyu Zhang , Yaochu Jin , Ran Cheng , Kuangrong Hao

he greatest weakness of evolutionary algorithms, widely used today, is the premature convergence due to the loss of population diversity over generations. To overcome this problem, several algorithms have been proposed, such as the…

Neural and Evolutionary Computing · Computer Science 2019-08-22 Asmaa Ghoumari , Amir Nakib

Efficient equilibrium sampling of molecular conformations remains a core challenge in computational chemistry and statistical inference. Classical approaches such as molecular dynamics or Markov chain Monte Carlo inherently lack…

Bayesian approaches provide a principled solution to the exploration-exploitation trade-off in Reinforcement Learning. Typical approaches, however, either assume a fully observable environment or scale poorly. This work introduces the…

Artificial Intelligence · Computer Science 2018-11-15 Sammie Katt , Frans Oliehoek , Christopher Amato

While DeepMind has tentatively solved protein folding, its inverse problem -- protein design which predicts protein sequences from their 3D structures -- still faces significant challenges. Particularly, the lack of large-scale standardized…

Quantitative Methods · Quantitative Biology 2022-02-15 Zhangyang Gao , Cheng Tan , Stan Z. Li

Proof autoformalization, the task of translating natural language theorems and proofs into machine-verifiable code, is a critical step for integrating large language models into rigorous mathematical workflows. Current approaches focus on…

Artificial Intelligence · Computer Science 2025-10-21 Rafael Cabral , Tuan Manh Do , Xuejun Yu , Wai Ming Tai , Zijin Feng , Xin Shen

Distributed data processing platforms such as MapReduce and Pregel have substantially simplified the design and deployment of certain classes of distributed graph analytics algorithms. However, these platforms do not represent a good match…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-10-15 Carlos H. C. Teixeira , Alexandre J. Fonseca , Marco Serafini , Georgos Siganos , Mohammed J. Zaki , Ashraf Aboulnaga

Unbiased data synthesis is crucial for evaluating causal discovery algorithms in the presence of unobserved confounding, given the scarcity of real-world datasets. A common approach, implicit parameterization, encodes unobserved confounding…

Machine Learning · Statistics 2025-04-02 Xudong Sun , Alex Markham , Pratik Misra , Carsten Marr
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