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#scientific-discovery

LLM-AutoSciLab: Closed-Loop Scientific Discovery via Active Experimentation with LLMs

arXiv cs.LG ↗ · 2026-05-26 Cached

LLM-AutoSciLab is a closed-loop framework that uses LLMs to iteratively generate hypotheses, select informative experiments, and refine mechanisms, achieving superior accuracy and sample efficiency on physics and biology benchmarks over prior static methods.

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Multi-Persona Debate System for Automated Scientific Hypothesis Generation

arXiv cs.CL ↗ · 2026-05-26 Cached

The paper introduces the Multi-Persona Debate System (MPDS), a literature-grounded framework that uses LLMs, persona induction, and structured multi-agent debate to automate the generation of scientific hypotheses, with evaluations in battery materials research showing improved hypothesis quality and cross-perspective integration.

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The Singularity Gate: a benchmark for paradigm-shifting scientific discoveries published strictly after model cutoff

Reddit r/ArtificialInteligence ↗ · 2026-05-25

Introduces The Singularity Gate, a benchmark to test if frontier AI models can predict paradigm-shifting scientific discoveries published after their training cutoff. Current top score is 17.75% partial credit, 0% fully correct.

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AutoResearch AI: Towards AI-Powered Research Automation for Scientific Discovery

arXiv cs.AI ↗ · 2026-05-25 Cached

This survey examines the emerging field of AI-powered research automation (AutoResearch), analyzing how AI systems are moving from isolated task assistance to full workflow-level scientific discovery. It defines a spectrum from human-steered 'Vibe Research' to AI-led systems, and proposes five evaluation dimensions for scientific credibility.

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@Montreal_AI: Science has a hidden frontier. Not the frontier of what is true. The frontier of what is thinkable. A remarkable new pr…

X AI KOLs Timeline ↗ · 2026-05-23 Cached

A new preprint introduces the concept of 'Alien Space of Science' – research directions that are coherent but cognitively unavailable to current communities – and proposes a method to sample such directions using idea atoms from LLM papers, showing it can explore 3.5-7x broader idea spaces without sacrificing coherence.

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@HowToAI_: Researchers proved that every single elementary function, sin, exp, log, sqrt, comes from one single binary operator. I…

X AI KOLs Timeline ↗ · 2026-05-22 Cached

A paper proves that all elementary functions like sin, exp, log, sqrt can be generated from a single binary operator eml(x,y)=exp(x)-ln(y), similar to how NAND gates unify digital logic. This could simplify AI architectures by enabling a single trainable node for continuous mathematics.

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Teaching Language Models to Forecast Research Success Through Comparative Idea Evaluation

arXiv cs.LG ↗ · 2026-05-22 Cached

This paper explores teaching language models to forecast the empirical success of research ideas by comparing pairs of ideas. Using a dataset of 11,488 idea pairs from PapersWithCode, the authors show that fine-tuning (SFT) boosts accuracy to 77.1%, outperforming GPT-5, and reinforcement learning with verifiable rewards achieves 71.35% with interpretable reasoning.

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AutoResearch AI: Towards AI-Powered Research Automation for Scientific Discovery

Hugging Face Daily Papers ↗ · 2026-05-22 Cached

A survey paper examining the transition of AI from task-specific assistants to workflow-level research automators, defining AutoResearch as the spectrum of AI-powered scientific workflow automation and analyzing challenges in autonomy, reproducibility, and accountability.

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@haofeiyu44: Can we transform the Hugging Face Hub—with its enormous sea of artifacts—into a self-evolving discovery machine? WE CAN…

X AI KOLs Following ↗ · 2026-05-20 Cached

Introduces ArtifactLinker, a framework that models HuggingFace as an artifact graph and uses GNNs and LLM agents to automatically discover state-of-the-art models and research insights.

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Era: From Nature publication to catalyzing Computational Discovery

Hacker News Top ↗ · 2026-05-19 Cached

Google announces Empirical Research Assistance (ERA), an AI tool using Gemini to write and optimize scientific code, now published in Nature and being rolled out as part of Gemini for Science to help scientists worldwide accelerate computational discovery.

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@elliotchen100: Translate the work on MiroMind under Shanda. The next step of post-training might be scientific discovery itself. Simply put, it trains a model to propose research hypotheses across different disciplines. Physics, chemistry, and biology all use one method. The paper was accepted at ICML 2026, code open source...

X AI KOLs Timeline ↗ · 2026-05-19 Cached

This paper proposes a scalable supervised fine-tuning method for training language models to propose research hypotheses across disciplines. It has been accepted by ICML 2026 and the code is open source.

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#scientific-discovery

AutoResearchClaw: Self-Reinforcing Autonomous Research with Human-AI Collaboration

Hugging Face Daily Papers ↗ · 2026-05-19 Cached

AutoResearchClaw is a multi-agent autonomous research system that improves scientific discovery through structured debate, self-healing execution, and human collaboration, outperforming previous systems on the ARC-Bench benchmark by 54.7%.

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Optimized Three-Dimensional Photovoltaic Structures with LLM guided Tree Search

arXiv cs.CL ↗ · 2026-05-18 Cached

This paper presents a case study using an LLM-driven tree search algorithm (ERA) combined with a coding agent (AntiGravity) to autonomously generate high-efficiency three-dimensional photovoltaic structures, overcoming limitations of flat solar panels at mid-latitudes. The workflow includes iterative patching to eliminate reward hacking and discovers improved designs under various constraints.

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SMCEvolve: Principled Scientific Discovery via Sequential Monte Carlo Evolution

arXiv cs.AI ↗ · 2026-05-18 Cached

SMCEvolve introduces a principled framework for LLM-driven program evolution by reformulating it as sampling from a reward-tilted distribution using Sequential Monte Carlo. It provides convergence guarantees and outperforms existing methods across multiple scientific discovery benchmarks.

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NIMO Controller: a self-driving laboratory orchestrator based on the Model Context Protocol

arXiv cs.AI ↗ · 2026-05-18 Cached

This paper presents NIMO Controller, a self-driving laboratory orchestrator based on the Model Context Protocol (MCP), which provides a unified interface for both human users and AI agents through a visual programming interface and MCP-based tool discovery.

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The First Atomic Bomb Test in 1945 Created an Entirely New Material

Wired ↗ · 2026-05-17 Cached

Researchers discovered a new clathrate material formed spontaneously in trinitite glass from the 1945 Trinity nuclear test, revealing that extreme conditions can create novel materials with potential technological applications.

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Sheaf-Theoretic Transport and Obstruction for Detecting Scientific Theory Shift in AI Agents

arXiv cs.AI ↗ · 2026-05-15 Cached

This paper develops a finite sheaf-theoretic framework for detecting scientific theory shift in AI agents by measuring transport and obstruction across representational contexts, and evaluates it on a benchmark designed to separate deformation within a source language from extension of that language.

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Co-Scientist: A multi-agent AI partner to accelerate research

Google DeepMind Blog ↗ · 2026-05-12 Cached

Google DeepMind introduces Co-Scientist, a multi-agent AI system built with Gemini that generates, debates, and evolves scientific hypotheses to accelerate research, published in Nature.

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Additive Atomic Forests for Symbolic Function and Antiderivative Discovery

arXiv cs.LG ↗ · 2026-05-12 Cached

This paper presents 'Additive Atomic Forests,' a framework for simultaneous symbolic recovery of functions and their antiderivatives using derivative algebra and self-expanding atom libraries. The method achieves strong performance on classification benchmarks and Feynman symbolic regression tasks while offering interpretable results.

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Discovering Ordinary Differential Equations with LLM-Based Qualitative and Quantitative Evaluation

arXiv cs.AI ↗ · 2026-05-11 Cached

This paper introduces DoLQ, a multi-agent framework that uses Large Language Models to perform both qualitative and quantitative evaluations for discovering ordinary differential equations from observational data.

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