Related papers: PriM: Principle-Inspired Material Discovery throug…

This study presents PRISM, a probabilistic simplex component analysis approach to identifying the vertices of a data-circumscribing simplex from data. The problem has a rich variety of applications, the most notable being hyperspectral…

Product concept evaluation is a critical stage that determines strategic resource allocation and project success in enterprises. However, traditional expert-led approaches face limitations such as subjective bias and high time and cost…

Materials informatics has emerged as a promisingly new paradigm for accelerating materials discovery and design. It exploits the intelligent power of machine learning methods in massive materials data from experiments or simulations to seek…

Topological phases of matter$\unicode{x2013}$comprising both insulators and semimetals$\unicode{x2013}$offer great potential for quantum applications, but identifying new candidates remains challenging due to expensive first-principles…

Multi-agent systems (MAS) extend large language models (LLMs) from independent single-model reasoning to coordinative system-level intelligence. While existing LLM agents depend on text-based mediation for reasoning and communication, we…

Retrieval-Augmented Language Models (RALMs) represent a classic paradigm where models enhance generative capabilities using external knowledge retrieved via a specialized module. Recent advancements in Agent techniques enable Large Language…

We present PREMISE (PREdict with Matching ScorEs), a new architecture for the matching-based learning in the multimodal fields for the multimodal review helpfulness (MRHP) task. Distinct to previous fusion-based methods which obtains…

Accelerating the discovery of high-performance materials remains a central challenge across energy, electronics, and aerospace technologies, where traditional workflows depend heavily on expert intuition and computationally expensive…

The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and error, and luck. We propose a methodology that can…

Large Language Model (LLM)-empowered multi-agent systems extend the cognitive boundaries of individual agents through disciplined collaboration and interaction, while constructing these systems often requires labor-intensive manual designs.…

Advances in artificial intelligence (AI) promise autonomous discovery, yet most systems still resurface knowledge latent in their training data. We present Sparks, a multi-modal multi-agent AI model that executes the entire discovery cycle…

The emergence of specialized large language models (LLMs) has shown promise in addressing complex tasks for materials science. Many LLMs, however, often struggle with distinct complexities of material science tasks, such as materials…

The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations. In this work, we alleviate this issue by extending…

Motivated by algorithmic information theory, the problem of program discovery can help find candidates of underlying generative mechanisms of natural and artificial phenomena. The uncomputability of such inverse problem, however,…

TRIZ, the Theory of Inventive Problem Solving, is a structured, knowledge-based framework for innovation and abstracting problems to find inventive solutions. However, its application is often limited by the complexity and deep…

There has been a surge of interest in harnessing the reasoning capabilities of Large Language Models (LLMs) to accelerate scientific discovery. While existing approaches rely on grounding the discovery process within the relevant…

While multi-agent systems (MAS) have demonstrated superior performance over single-agent approaches in complex reasoning tasks, they often suffer from significant computational inefficiencies. Existing frameworks typically deploy large…

Efficient materials discovery requires reducing costly first-principles calculations for training machine-learned interatomic potentials (MLIPs). We develop an active learning (AL) framework that iteratively selects informative structures…

We present PRISM (Policy Reuse via Interpretable Strategy Mapping), a framework that grounds reinforcement learning agents' decisions in discrete, causally validated concepts and uses those concepts as a zero-shot transfer interface between…

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…