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Federated Machine Learning

Today’s artificial intelligence still faces two major challenges. One is that, in most industries, data exists in the form of isolated islands. The other is the strengthening of data privacy and security. We propose a possible solution to these challenges: secure federated learning. Beyond the federated-learning framework first proposed by Google in 2016, we introduce a comprehensive secure federated-learning framework, which includes horizontal federated learning, vertical federated learning, and federated tran…

ACM Transactions on Intelligent Systems and Technology · Science

Evidence-backed gain

Accurate prediction of protein structures and interactions using a three-track neural network

Deep learning takes on protein folding In 1972, Anfinsen won a Nobel prize for demonstrating a connection between a protein’s amino acid sequence and its three-dimensional structure. Since 1994, scientists have competed in the biannual Critical Assessment of Structure Prediction (CASP) protein-folding challenge. Deep learning methods took center stage at CASP14, with DeepMind’s Alphafold2 achieving remarkable accuracy. Baek et al . explored network architectures based on the DeepMind framework. They used a three…

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Both readings

Overcoming catastrophic forgetting in neural networks

Significance Deep neural networks are currently the most successful machine-learning technique for solving a variety of tasks, including language translation, image classification, and image generation. One weakness of such models is that, unlike humans, they are unable to learn multiple tasks sequentially. In this work we propose a practical solution to train such models sequentially by protecting the weights important for previous tasks. This approach, inspired by synaptic consolidation in neuroscience, enable…

Science

Evidence-backed gain

Deep learning

Deep learning allows computational models that are composed of multiple processing layers to learn representations of data with multiple levels of abstraction. These methods have dramatically improved the state-of-the-art in speech recognition, visual object recognition, object detection and many other domains such as drug discovery and genomics. Deep learning discovers intricate structure in large data sets by using the backpropagation algorithm to indicate how a machine should change its internal parameters th…

Science

Evidence-backed gain

Artificial intelligence: A powerful paradigm for scientific research

Artificial intelligence (AI) coupled with promising machine learning (ML) techniques well known from computer science is broadly affecting many aspects of various fields including science and technology, industry, and even our day-to-day life. The ML techniques have been developed to analyze high-throughput data with a view to obtaining useful insights, categorizing, predicting, and making evidence-based decisions in novel ways, which will promote the growth of novel applications and fuel the sustainable booming…

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Evidence-backed gain

ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

Deep learning is revolutionizing many areas of science and technology, especially image, text, and speech recognition. In this paper, we demonstrate how a deep neural network (NN) trained on quantum mechanical (QM) DFT calculations can learn an accurate and transferable potential for organic molecules. We introduce ANAKIN-ME (Accurate NeurAl networK engINe for Molecular Energies) or ANI for short. ANI is a new method designed with the intent of developing transferable neural network potentials that utilize a hig…

Science

Evidence-backed gain

Deep forest

Current deep-learning models are mostly built upon neural networks, i.e. multiple layers of parameterized differentiable non-linear modules that can be trained by backpropagation. In this paper, we explore the possibility of building deep models based on non-differentiable modules such as decision trees. After a discussion about the mystery behind deep neural networks, particularly by contrasting them with shallow neural networks and traditional machine-learning techniques such as decision trees and boosting mac…

Science

Integrating machine learning and multiscale modeling-perspectives, challenges, and opportunities in the biological, biomedical, and behavioral sciences

Fueled by breakthrough technology developments, the biological, biomedical, and behavioral sciences are now collecting more data than ever before. There is a critical need for time- and cost-efficient strategies to analyze and interpret these data to advance human health. The recent rise of machine learning as a powerful technique to integrate multimodality, multifidelity data, and reveal correlations between intertwined phenomena presents a special opportunity in this regard. However, machine learning alone ign…

Science

Integrating machine learning and multiscale modeling-perspectives, challenges, and opportunities in the biological, biomedical, and behavioral sciences

Highly accurate protein structure prediction with AlphaFold

Proteins are essential to life, and understanding their structure can facilitate a mechanistic understanding of their function. Through an enormous experimental effort 1-4 , the structures of around 100,000 unique proteins have been determined 5 , but this represents a small fraction of the billions of known protein sequences 6,7 . Structural coverage is bottlenecked by the months to years of painstaking effort required to determine a single protein structure. Accurate computational approaches are needed to addr…

Science

Highly accurate protein structure prediction with AlphaFold

A generative artificial intelligence approach for peptide antibiotic optimization

Abstract Antibiotic resistance is rising globally, demanding faster, more reliable routes to design antimicrobial candidates. Although artificial-intelligence-based methods have accelerated antimicrobial discovery, most are designed to screen fixed libraries or generate candidates broadly, rather than optimize existing peptide scaffolds under practical design constraints. Here, to address this challenge, we present APEX generative optimization (ApexGO). ApexGO uses a transformer variational autoencoder that embe…

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A generative artificial intelligence approach for peptide antibiotic optimization

Digital Technologies and Sustainable Development: Evidence from FinTech, AI, and Blockchain Adoption in G20 Economies

In the wake of rapid digital transformation, emerging technologies like FinTech, AI, and Blockchain are reimagining how countries pursue sustainable development. This study examines how FinTech adoption, Artificial Intelligence (AI) readiness, and Blockchain activity influence sustainable development performance across G20 economies over the period 2015–2023. Drawing on Innovation-Driven Growth Theory, the Technology–Organization–Environment framework, and Institutional Theory, the analysis evaluates both the di…

Climate

Digital Technologies and Sustainable Development: Evidence from FinTech, AI, and Blockchain Adoption in G20 Economies

Optimizing solar and wind forecasting with iHow optimization algorithm and multi-scale attention networks

Deep learning models often encounter two key challenges in developing intelligent and scalable forecasting frameworks for renewable energy systems: input feature space dimensionality and sensitivity to hyperparameter settings. These limitations increase computational cost and compromise generalization and robustness. This paper presents a hybrid deep learning-optimization framework that leverages cognitively inspired metaheuristics to address these challenges, employing the Binary iHow Optimization Algorithm (bi…

Climate

Optimizing solar and wind forecasting with iHow optimization algorithm and multi-scale attention networks

Metaheuristic-optimized machine learning framework for remote sensing-based alteration mapping of porphyry copper systems

Remote sensing-based hydrothermal alteration mapping is a pivotal technique in critical mineral exploration, particularly for identifying porphyry copper deposits (PCDs). However, conventional multispectral approaches are often constrained by linear assumptions, spectral mixing, and suboptimal parameter selection, limiting their ability to resolve complex alteration assemblages. This study presents a metaheuristic-optimized machine learning framework that integrates Boosted Trees (BT) and Quadratic Support Vecto…

Science

Metaheuristic-optimized machine learning framework for remote sensing-based alteration mapping of porphyry copper systems

Towards end-to-end automation of AI research

Abstract The automation of science is a long-standing ambition in artificial intelligence (AI) research 1,2 . Although the community has made substantial progress in automating individual components of the scientific process, a system that autonomously navigates the entire research life cycle—from conception to publication—has remained out of reach. Here we present a pipeline for automating the entire scientific process end to end. We present The AI Scientist, which creates research ideas, writes code, runs expe…

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Towards end-to-end automation of AI research

They Think AI Can Do More Than It Actually Can: Practices, Challenges, & Opportunities of AI-Supported Reporting In Local Journalism

Declining newspaper revenues prompt local newsrooms to adopt automation to maintain efficiency and keep the community informed. However, current research provides a limited understanding of how local journalists work with digital data and which newsroom processes would benefit most from AI-supported (data) reporting. To bridge this gap, we conducted 21 semi-structured interviews with local journalists in Germany. Our study investigates how local journalists use data and AI (RQ1); the challenges they encounter wh…

Science

They Think AI Can Do More Than It Actually Can: Practices, Challenges, & Opportunities of AI-Supported Reporting In Local Journalism