scientific discovery

Benchmarks archive 2025-07-28

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Datasets archive 2025-07-28

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Subtasks archive 2025-07-28

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Most implemented papers archive 2025-07-28

30 shown of 192 papers with code (464 tagged with this task in all), ordered by repositories listed in the archive, not by stars (the archive holds no stars, so PwC's “Social” and “Latest” sorts cannot be reproduced). Papers without a page here are shown as plain text.

• Discovering physical concepts with neural networks
  26 Jul 2018 7 repositories listed Syntology ran 4 of 6 samples · 2 unverified · 3 pointer-only (licence)
  Despite the success of neural networks at solving concrete physics problems, their use as a general-purpose tool for scientific discovery is still in its infancy.
• Automated Design of Deep Learning Methods for Biomedical Image Segmentation
  17 Apr 2019 6 repositories listed
  Biomedical imaging is a driver of scientific discovery and core component of medical care, currently stimulated by the field of deep learning.
• Structure Discovery in Nonparametric Regression through Compositional Kernel Search
  20 Feb 2013 5 repositories listed
  Despite its importance, choosing the structural form of the kernel in nonparametric regression remains a black art.
• Can LLMs Generate Novel Research Ideas? A Large-Scale Human Study with 100+ NLP Researchers
  6 Sep 2024 3 repositories listed Syntology ran 0 of 5 samples · 5 unverified
  Recent advancements in large language models (LLMs) have sparked optimism about their potential to accelerate scientific discovery, with a growing number of works proposing research agents that autonomously generate and…
• AutoML Two-Sample Test
  17 Jun 2022 3 repositories listed Syntology ran 10 of 11 samples · 1 unverified · 2 pointer-only (licence)
  Two-sample tests are important in statistics and machine learning, both as tools for scientific discovery as well as to detect distribution shifts.
• HSG-12M: A Large-Scale Spatial Multigraph Dataset
  10 Jun 2025 2 repositories listed Syntology ran 6 of 14 samples · 8 unverified
  Existing graph benchmarks assume non-spatial, simple edges, collapsing physically distinct paths into a single link.
• LLaMEA-BO: A Large Language Model Evolutionary Algorithm for Automatically Generating Bayesian Optimization Algorithms
  27 May 2025 2 repositories listed
  Bayesian optimization (BO) is a powerful class of algorithms for optimizing expensive black-box functions, but designing effective BO algorithms remains a manual, expertise-driven task.
• AI-Driven Automation Can Become the Foundation of Next-Era Science of Science Research
  17 May 2025 2 repositories listed
  The Science of Science (SoS) explores the mechanisms underlying scientific discovery, and offers valuable insights for enhancing scientific efficiency and fostering innovation.
• HypoBench: Towards Systematic and Principled Benchmarking for Hypothesis Generation
  15 Apr 2025 2 repositories listed Syntology ran 1 of 3 samples · 2 unverified
  However, the results from synthetic datasets indicate that there is still significant room for improvement, as current hypothesis generation methods do not fully uncover all relevant or meaningful patterns.
• The AI Scientist-v2: Workshop-Level Automated Scientific Discovery via Agentic Tree Search
  10 Apr 2025 2 repositories listed Syntology ran 1 of 3 samples · 2 unverified · 3 pointer-only (licence)
  AI is increasingly playing a pivotal role in transforming how scientific discoveries are made.
• BixBench: a Comprehensive Benchmark for LLM-based Agents in Computational Biology
  28 Feb 2025 2 repositories listed Syntology ran 0 of 9 samples · 9 unverified
  Large Language Models (LLMs) and LLM-based agents show great promise in accelerating scientific research.
• Agent Laboratory: Using LLM Agents as Research Assistants
  8 Jan 2025 2 repositories listed Syntology ran 0 of 9 samples · 9 unverified
  Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results.
• Many Heads Are Better Than One: Improved Scientific Idea Generation by A LLM-Based Multi-Agent System
  12 Oct 2024 2 repositories listed Syntology ran 3 of 3 samples · 0 unverified
  The rapid advancement of scientific progress requires innovative tools that can accelerate knowledge discovery.
• SciAgents: Automating scientific discovery through multi-agent intelligent graph reasoning
  9 Sep 2024 2 repositories listed Syntology ran 2 of 2 samples · 0 unverified
  A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen…
• The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery
  12 Aug 2024 2 repositories listed Syntology ran 10 of 11 samples · 1 unverified · 9 pointer-only (licence)
  This approach signifies the beginning of a new era in scientific discovery in machine learning: bringing the transformative benefits of AI agents to the entire research process of AI itself, and taking us closer to a…
• LLM-SR: Scientific Equation Discovery via Programming with Large Language Models
  29 Apr 2024 2 repositories listed
  Mathematical equations have been unreasonably effective in describing complex natural phenomena across various scientific disciplines.
• Autonomous LLM-driven research from data to human-verifiable research papers
  24 Apr 2024 2 repositories listed
  As AI promises to accelerate scientific discovery, it remains unclear whether fully AI-driven research is possible and whether it can adhere to key scientific values, such as transparency, traceability and verifiability.
• Deep Generative Symbolic Regression
  30 Dec 2023 2 repositories listed Syntology ran 3 of 5 samples · 2 unverified · 5 pointer-only (licence)
  Symbolic regression (SR) aims to discover concise closed-form mathematical equations from data, a task fundamental to scientific discovery.
• A Transformer Model for Symbolic Regression towards Scientific Discovery
  7 Dec 2023 2 repositories listed
  Once trained, we apply our best model to the SRSD datasets (Symbolic Regression for Scientific Discovery datasets) which yields state-of-the-art results using the normalized tree-based edit distance, at no extra…
• Sum-of-Parts: Faithful Attributions for Groups of Features
  25 Oct 2023 2 repositories listed Syntology ran 5 of 7 samples · 2 unverified · 7 pointer-only (licence)
  In this work, we develop Sum-of-Parts (SOP), a new framework that transforms any differentiable model into a self-explaining model whose predictions can be attributed to groups of features.
• Multi-Fidelity Active Learning with GFlowNets
  20 Jun 2023 2 repositories listed Syntology ran 1 of 1 samples · 0 unverified · 1 pointer-only (licence)
  For example, in scientific discovery, we are often faced with the problem of exploring very large, structured and high-dimensional spaces.
• Automated Gadget Discovery in Science
  24 Dec 2022 2 repositories listed
  This process of gadget discovery develops in three stages: First, we use an RL agent to generate data, then, we employ a mining algorithm to extract gadgets and finally, the obtained gadgets are grouped by a…
• Selection by Prediction with Conformal p-values
  4 Oct 2022 2 repositories listed Syntology ran 3 of 3 samples · 0 unverified · 3 pointer-only (licence)
  Decision making or scientific discovery pipelines such as job hiring and drug discovery often involve multiple stages: before any resource-intensive step, there is often an initial screening that uses predictions from a…
• Explaining Patterns in Data with Language Models via Interpretable Autoprompting
  4 Oct 2022 2 repositories listed Syntology ran 1 of 1 samples · 0 unverified
  Large language models (LLMs) have displayed an impressive ability to harness natural language to perform complex tasks.
• Quantitative probing: Validating causal models using quantitative domain knowledge
  7 Sep 2022 2 repositories listed
  We present quantitative probing as a model-agnostic framework for validating causal models in the presence of quantitative domain knowledge.
• Molformer: Motif-based Transformer on 3D Heterogeneous Molecular Graphs
  4 Oct 2021 2 repositories listed Syntology ran 3 of 4 samples · 1 unverified · 4 pointer-only (licence)
  Then HMGs are constructed with both atom-level and motif-level nodes.
• Neural Symbolic Regression that Scales
  11 Jun 2021 2 repositories listed Syntology ran 4 of 7 samples · 3 unverified
  We procedurally generate an unbounded set of equations, and simultaneously pre-train a Transformer to predict the symbolic equation from a corresponding set of input-output-pairs.
• Data-driven discovery of Green's functions with human-understandable deep learning
  1 May 2021 2 repositories listed Syntology ran 0 of 9 samples · 9 unverified
  There is an opportunity for deep learning to revolutionize science and technology by revealing its findings in a human interpretable manner.
• Differentiable Learning Under Triage
  16 Mar 2021 2 repositories listed
  However, the interplay between the prediction accuracy of the model and the human experts under algorithmic triage is not well understood.
• Using Deep Networks for Scientific Discovery in Physiological Signals
  25 Aug 2020 2 repositories listed
  In this study we propose a method for examining to what extent does a DNN's performance rely on rediscovering existing features of the signals, as opposed to discovering genuinely new features.

Syntology lines on 19 of the papers shown; no Syntology record for the others (a paper without an arXiv id cannot be joined to the graph, and absence from the graph layer is not a recorded non-run). “Ran” means the sample executed on a synthesized fixture, not that the paper's result was reproduced. Read from the graph 2026-09-24.