Related papers: Accelerating scientific discovery with the common …

We introduce a general framework for active learning in regression problems. Our framework extends the standard setup by allowing for general types of data, rather than merely pointwise samples of the target function. This generalization…

Benchmarking has long served as a foundational practice in machine learning and, increasingly, in modern AI systems such as large language models, where shared tasks, metrics, and leaderboards offer a common basis for measuring progress and…

Large Language Models (LLMs) are being deployed across various domains today. However, their capacity to solve Capture the Flag (CTF) challenges in cybersecurity has not been thoroughly evaluated. To address this, we develop a novel method…

AI is becoming increasingly integrated into everyday life, both in professional work environments and in leisure and entertainment contexts. This integration requires AI to move beyond acting as an assistant for informational or…

The proliferation of Large Language Models (LLMs) has led to a burgeoning ecosystem of specialized, domain-specific models. While this rapid growth accelerates innovation, it has simultaneously created significant challenges in model…

As AI systems become integral to critical operations across industries and services, ensuring their reliability and safety is essential. We offer a framework that integrates established reliability and resilience engineering principles into…

The interplay between Machine Learning (ML) and Constrained Optimization (CO) has recently been the subject of increasing interest, leading to a new and prolific research area covering (e.g.) Decision Focused Learning and Constrained…

Multi-Task Learning (MTL) is a learning paradigm in machine learning and its aim is to leverage useful information contained in multiple related tasks to help improve the generalization performance of all the tasks. In this paper, we give a…

The rise of general-purpose artificial intelligence (AI) systems, particularly large language models (LLMs), has raised pressing moral questions about how to reduce bias and ensure fairness at scale. Researchers have documented a sort of…

In recent years, the introduction of AI technologies has brought transformative changes to scientific computing. However, AI models typically focus on single-task and single-modal data processing, limiting their application. To address…

Machine learning force fields (MLFFs) are gradually evolving towards enabling molecular dynamics simulations of molecules and materials with ab initio accuracy but at a small fraction of the computational cost. However, several challenges…

Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, existing agentic frameworks take a relatively narrow view of agents, apply a centralized model, and…

Leading approaches in machine vision employ different architectures for different tasks, trained on costly task-specific labeled datasets. This complexity has held back progress in areas, such as robotics, where robust task-general…

Large language models (LLMs) have ushered in a new era for processing complex information in various fields, including science. The increasing amount of scientific literature allows these models to acquire and understand scientific…

Machine Learning and Artificial Intelligence are considered an integral part of the Fourth Industrial Revolution. Their impact, and far-reaching consequences, while acknowledged, are yet to be comprehended. These technologies are very…

Analytical quality assurance, especially testing, is an integral part of software-intensive system development. With the increased usage of Artificial Intelligence (AI) and Machine Learning (ML) as part of such systems, this becomes more…

Artificial intelligence and machine learning have been major research interests in computer science for the better part of the last few decades. However, all too recently, both AI and ML have rapidly grown to be media frenzies, pressuring…

Artificial intelligence holds immense promise for transforming biology, yet a lack of standardized, cross domain, benchmarks undermines our ability to build robust, trustworthy models. Here, we present insights from a recent workshop that…

While machine learning has witnessed significant advancements, the emphasis has largely been on data acquisition and model creation. However, achieving a comprehensive assessment of machine learning solutions in real-world settings…

Integration of artificial intelligence (AI) into life cycle assessment (LCA) has accelerated in recent years, with numerous studies successfully adapting machine learning algorithms to support various stages of LCA. Despite this rapid…