Related papers: Autonomous synthesis of metastable materials
Hard coatings play a critical role in industry, with ceramic materials offering outstanding hardness and thermal stability for applications that demand superior mechanical performance. However, deploying artificial intelligence (AI) for…
The periodic table is a fundamental representation of chemical elements that plays essential theoretical and practical roles. The research article discusses the experiences of unsupervised training of neural networks to represent elements…
The co-location of multiple database instances on resource constrained edge nodes creates significant cache contention, where traditional schemes are inefficient and unstable under dynamic workloads. To address this, we present SAM(a…
High-throughput materials synthesis methods have risen in popularity due to their potential to accelerate the design and discovery of novel functional materials, such as solution-processed semiconductors. After synthesis, key material…
Large language models (LLMs) and agentic systems have recently demonstrated potential for automating scientific workflows, including atomistic simulations. However, their deployment in high-performance computing (HPC) environments remains…
Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of…
Therapeutic discovery remains a formidable challenge, impeded by the fragmentation of specialized domains and the execution gap between computational design and physiological validation. Although generative AI offers promise, current models…
This perspective explores the evolution of materials informatics, from its foundational roots in physics and information theory to its maturation through artificial intelligence (AI). We trace the field's trajectory from early milestones to…
Covalent organic frameworks (COFs) are promising photocatalysts for solar hydrogen production, yet the most electronically favorable linkages, imines, hydrolyze rapidly in water, creating a stability--activity trade-off that limits…
Carbon isotope labeling method is a standard metabolic engineering tool for flux quantification in living cells. To cope with the high dimensionality of isotope labeling systems, diverse algorithms have been developed to reduce the number…
The discovery of novel catalysts tailored for particular applications is a major challenge for the twenty-first century. Traditional methods for this include time-consuming and expensive experimental trial-and-error approaches in labs based…
Synthetic Aperture Radar (SAR) utilizes the movement of the radar antenna over a specific area of interest to achieve higher spatial resolution imaging. In this paper, we aim to investigate the realization of SAR imaging for a stationary…
Timed automata (TA) is used for modeling systems with timing aspects. A TA extends a finite automaton with a set of real valued variables called clocks, that measure the time and constraints over the clocks guard the transitions. A…
Computational materials science increasingly benefits from data management, automation, and algorithm-based decision-making for the simulation of material properties and behavior. Experimental materials science also changes rapidly by…
As robots proliferate in manufacturing, Design for Robotic Assembly (DfRA), which is designing products for efficient automated assembly, is increasingly important. Traditional approaches to DfRA rely on manual planning, which is…
In this paper, we propose Adjusted Shuffling SARAH, a novel algorithm that integrates shuffling strategies into the recursive SARAH framework using a dynamic weighting mechanism to enhance exploration. We analyze the algorithm under two…
We introduce the STATION, an open-world multi-agent environment for autonomous scientific discovery. The Station simulates a complete scientific ecosystem, where agents can engage in long scientific journeys that include reading papers from…
Drug development and pharmacovigilance are frequently bottlenecked by legacy clinical reporting pipelines. These monolithic systems encode regulatory-grade logic but resist AI integration by producing opaque output with no machine-readable…
As LLM agents transition to autonomous digital coworkers, maintaining deterministic goal-directedness in non-linear multi-turn conversations emerged as an architectural bottleneck. We identify and formalize a systemic failure mode termed…
High-precision CNC machining of free-form aerospace components requires bounded compensations informed by inspection, simulation, and process knowledge. Off-the-shelf large language model (LLM) assistants can generate text, but they do not…