Search: “science”

Out-Of-The-Loop Multi-Fidelity Bayesian Optimization

arXiv:2608.04113v1 Announce Type: cross Abstract: Black-box optimization is a ubiquitous problem in science and engineering, often dealing with expensive objective functions with cheaper lower-fidelit

applicationsarxiv-cs-ai

6 Aug 2026

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Large language models for partial differential equation workflows

DGX agent

arXiv:2608.03600v1 Announce Type: new Abstract: Partial differential equations (PDEs) become actionable in science and engineering not as isolated formulae, but as executable workflows that connect mo

applicationsarxiv-cs-ai

5 Aug 2026

Towards a new paradigm of scientific discovery with socialized artificial intelligence

arXiv:2608.02775v1 Announce Type: new Abstract: Scientific discovery has advanced through successive transformations in the organization of knowledge. Observation and experimentation established the e

5 Aug 2026

Abduction Without a Body? Representational Grounding and the Abduction Loop for Scientific Hypothesis Generation

model-releasesarxiv-cs-cv

arXiv:2608.02505v1 Announce Type: cross Abstract: Can scientific abduction occur without continuous sensorimotor embodiment? Recent arguments in AI and philosophy of science hold that genuine hypothes

Agentic Graph Token Reasoning

arXiv:2608.00542v1 Announce Type: new Abstract: Graphs model relational data throughout science and industry, from citation networks to product co-purchase graphs. Because the nodes of many such graph

agentsarxiv-cs-lg

MIDAL: Math Image Descriptions for Accessible Learning

arXiv:2608.00868v1 Announce Type: new Abstract: Many open educational resources are lacking in accessibility, especially in-depth image descriptions. In subjects like Science and Mathematics, however,

tutorialsarxiv-cs-cv

onepot-Bench 0: towards lab-aware in silico chemistry benchmarks

arXiv:2608.02595v1 Announce Type: new Abstract: Language models are playing an increasingly important role in laboratory science, performing tasks such as experiment planning, execution, and post-hoc

RamanPFN: learning from Raman spectral structure with a tabular foundation model

arXiv:2608.02157v1 Announce Type: new Abstract: Raman spectroscopy enables non-destructive, label-free molecular characterization across materials science, biomedicine and process monitoring. Predicti

When May a Model Replace the Experiment? Audits, Licenses, and the Price of Trust in Surrogate-Driven Design

arXiv:2608.01378v1 Announce Type: new Abstract: Design campaigns in chemistry, materials science, and machine learning share a bottleneck: determining how good a candidate truly is requires an expensi

On the Expressive Power of Sparse Geometric MPNNs

arXiv:2407.02025v5 Announce Type: replace-cross Abstract: Motivated by applications in chemistry and other sciences, we study the expressive power of message-passing neural networks for geometric grap

3 Aug 2026

APO: Unsupervised Atomic Policy Optimization for 3D Structure Prediction of Atomic Systems

arXiv:2607.28553v1 Announce Type: new Abstract: Predicting the 3D structures of atomic systems is fundamental to advancing material science and drug discovery. While flow-matching models (, FlowDPO) h

Chem World: A Large-Scale Benchmark and Physics-Informed Framework for Trustworthy Chemical Property Prediction

arXiv:2607.28079v1 Announce Type: new Abstract: Chemical property prediction plays a critical role in accelerating scientific discovery in chemistry, materials science, and drug development. However,

Deep R Programming

arXiv:2301.01188v5 Announce Type: replace-cross Abstract: Deep R Programming is a comprehensive and in-depth introductory course on one of the most popular languages for data science. It equips ambiti

tutorialsarxiv-cs-lg

LLMs struggle to simulate human belief updates in controlled environments

model-releasesarxiv-cs-cl

arXiv:2607.28347v1 Announce Type: new Abstract: LLMs are increasingly deployed as proxies for human study participants in social science experiments, yet the fidelity of this practice has rarely been

One Run Is Not an Idea: The Implementation Lottery in Automated Research

arXiv:2607.26587v1 Announce Type: cross Abstract: Automated research systems use experimental scores both to deliver artifacts and to decide which ideas to retain, transfer, and pursue. Yet one run sc

agentsarxiv-cs-ai

Semi-Supervised Learning for Molecular Graphs via Ensemble Consensus

arXiv:2607.28304v1 Announce Type: new Abstract: Machine learning is transforming molecular sciences by accelerating property prediction, simulation, and the discovery of new molecules and materials. A

TCA-SIR: Learning Target-Conditioned Abstractions for Scientific Inspiration Retrieval

arXiv:2607.28498v1 Announce Type: cross Abstract: Scientific hypothesis generation for AI for Science typically involves Scientific Inspiration Retrieval (SIR) followed by hypothesis composition. Exis

researcharxiv-cs-cl

Invariant Extended Kalman Filtering with Partial Orientation Measurement Integration: Theoretical Derivations and Application to Autonomous Surface Vessels

arXiv:2506.10850v2 Announce Type: replace Abstract: Autonomous surface vessels (ASVs) are increasingly vital for marine science, offering robust platforms for underwater mapping and inspection. Accura

agentsarxiv-cs-ro

30 Jul 2026

Cognivia: A Cognitive Behavioral Therapy Copilot for Evidence-Based Mental Healthcare

arXiv:2607.25681v1 Announce Type: new Abstract: Cognitive distortion amplifies negative emotions and contributes to mental health disorders. Cognitive Behavioral Therapy (CBT) is an effective way to a

applicationsarxiv-cs-ai

29 Jul 2026

Dual-Level Atomic and Coordination Geometry Learning for Crystal Property Prediction Using Graph Neural Networks

arXiv:2607.24818v1 Announce Type: cross Abstract: Accurate prediction of crystal properties remains a key challenge in computational materials science. While graph neural networks (GNNs) such as CGCNN

29 Jul 2026

A Characterization of the Orthocomplement of the Tangent Space of Semiparametric Markov Models

arXiv:2607.23439v1 Announce Type: cross Abstract: Graphical models are ubiquitous in social and empirical science as they are intuitive and easy to use. These models belong to the broader class of Mar

Extending Fourier Neural Operators for Modeling Parameterized and Coupled PDEs

arXiv:2607.23466v1 Announce Type: new Abstract: Parameterized and coupled partial differential equations (PDEs) are central to modeling phenomena in science and engineering, yet neural operator method

Imprompt: A Language Framework for Prompt Programming

arXiv:2607.22683v1 Announce Type: new Abstract: With the unprecedented success of Language Models (LMs), the science of Prompt Engineering has evolved the powerful idea of Prompt Programming, where pr

NeurGO: Learning to Generate Elite Candidates for Meta-Black-Box Expensive Optimization

arXiv:2607.23408v1 Announce Type: new Abstract: Expensive black-box optimization is ubiquitous in science and engineering, where function evaluations are costly and the evaluation budget is limited. T

safetyarxiv-cs-ai

TLRNet: Estimating Individual Treatment Effect based on Local Information and Single Learner Structure

arXiv:2607.22762v1 Announce Type: cross Abstract: Causal inference has become a central issue across various fields, including computer science, statistics, economics, education, healthcare, and medic

Towards Nexus-Score: Metadata Gaps Limit Scholarly AI Attribution

arXiv:2607.22684v1 Announce Type: cross Abstract: Artificial intelligence systems increasingly mediate how science is found and credited. We asked whether missing metadata prevents AI systems from cre

tutorialsarxiv-cs-ai

An Introduction to Bayesian and Frequentist Simulation-Based Inference with Machine Learning

arXiv:2607.21702v1 Announce Type: new Abstract: Simulation-based inference (SBI) with machine learning is an increasingly important tool for solving inverse problems in science and engineering, includ

27 Jul 2026

Logic Programming Semantics for Causal Processes

arXiv:2607.21233v1 Announce Type: new Abstract: Motivated by challenging modelling issues in the life sciences, we investigate the relationship between logic programming semantics and the eventual sta

24 Jul 2026

pAI-Econ-claude: A Gated Human-in-the-Loop Multi-Agent Architecture for AI-Assisted Economic Theory Development

arXiv:2607.21268v1 Announce Type: cross Abstract: In many social-science research tasks, such as economics, LLM-based agents must produce outputs for which no cheap, task-complete, machine-readable co

24 Jul 2026

A Bayesian Framework for Built-in Input Dimension Reduction for Gaussian Process Modeling

arXiv:2607.19498v1 Announce Type: cross Abstract: Gaussian process (GP) modeling is widely used in computational science and engineering. However, fitting a GP to high-dimensional inputs remains chall

23 Jul 2026

LC-SLab -- An object-based deep learning framework for large-scale land cover classification from satellite imagery and sparse in-situ labels

arXiv:2509.15868v2 Announce Type: replace Abstract: Large-scale land cover maps generated using deep learning play a critical role across a wide range of Earth science applications. Open in-situ datas

researcharxiv-cs-cv

23 Jul 2026

NMR Elucidation as an Agentic Search Problem, Not a Modeling Problem

arXiv:2607.19406v1 Announce Type: new Abstract: Structural elucidation from Nuclear Magnetic Resonance (NMR) data remains a fundamental bottleneck across chemistry, materials science, and biology. We

agentsarxiv-cs-lg

23 Jul 2026

MetaPerch: Learning from metadata for bioacoustics foundation models

arXiv:2607.14072v1 Announce Type: new Abstract: Bioacoustic foundation models rely on large-scale citizen science platforms like Xeno-Canto for geographically and ecologically diverse data. Recent wor

applicationsarxiv-cs-lg

16 Jul 2026

Evaluating Reliability in Machine Learning Models for Early Chronic Kidney Disease Prediction: A Systematic Review of Data Leakage and Predictor Stability

arXiv:2607.11963v1 Announce Type: cross Abstract: The early detection of Chronic Kidney Disease using machine learning has attracted significant interest in healthcare-related computer science. Despit

applicationsarxiv-cs-ai

Rethinking Evaluation in Retrieval-Augmented Personalized Dialogue: A Cognitive and Linguistic Perspective

arXiv:2603.14217v3 Announce Type: replace Abstract: In cognitive science and linguistic theory, dialogue is not seen as a chain of independent utterances but rather as a joint activity sustained by co

applicationsarxiv-cs-cl

Scalable Optimal Transport Algorithm for Network Alignment

arXiv:2607.11952v1 Announce Type: new Abstract: Network alignment identifies node correspondences across different networks and is a fundamental primitive in many data science applications, including

WikiSTAR: A System for Shedding Light on the Hidden History of Scientific Wikipedia Articles

model-releasesarxiv-cs-cl

arXiv:2607.12441v1 Announce Type: new Abstract: Wikipedia plays a key role in shaping public understanding of science, and its openly accessible revision history is a unique record of how scientific k

ImputeViz: A Visual Analytics Dashboard for Diagnosing Missing Data and Comparing Imputation Methods

arXiv:2607.08579v1 Announce Type: cross Abstract: Missing data is a persistent obstacle in scientific, social science, and public health research, often biasing analyses and placing accountability on

10 Jul 2026

Knowledge Graph and Accurate Portrait Construction of Scientific and Technological Academic Conferences

arXiv:2204.04888v2 Announce Type: replace-cross Abstract: In recent years, with the continuous progress of science and technology, the number of scientific research achievements has increased rapidly.

10 Jul 2026

Texture Representations in Deep Vision Models: Comparing CNNs, Vision Transformers, and Human Perception

arXiv:2607.08321v1 Announce Type: new Abstract: In computational vision science, Convolutional Neural Networks (CNNs) have emerged as a popular model of biological vision because of the alignment they

safetyarxiv-cs-cv

10 Jul 2026

Amortized Inference for Correlated Discrete Choice Models via Equivariant Neural Networks

arXiv:2603.24705v3 Announce Type: replace-cross Abstract: Discrete choice models are fundamental tools in management science, economics, and marketing for understanding and predicting decision-making.

9 Jul 2026

A Convex Approximation Framework for Neural Likelihood-Based Bayesian Inverse Problems

arXiv:2607.06252v1 Announce Type: cross Abstract: Many problems in science and engineering are difficult to model accurately, either due to unknown physical mechanisms, poorly quantified measurement u

tutorialsarxiv-cs-lg

Evaluating calibrated refusal and safe usefulness in dual-use biology settings

arXiv:2607.05462v1 Announce Type: cross Abstract: As AI agents are incorporated into life science workflows, the capabilities that speed discovery might also enable misuse. We present BioSecBench-Refu

Integrating GNSS-Derived Zenith Wet Delay into a Weather Foundation Model Improves Precipitation Forecasting

arXiv:2607.05658v1 Announce Type: cross Abstract: Global Navigation Satellite Systems (GNSS), best known for positioning, also serve weather science, as atmospheric water vapour delays their signals.

MAME: Multidimensional Adaptive Metamer Exploration with Human Perceptual Feedback

arXiv:2503.13212v3 Announce Type: replace Abstract: Alignment between human brain networks and artificial models has become an active research area in vision science and machine learning. A widely ado

Strategic Bargaining in Multi-Buyer Markets: Reinforcement Learning from Verifiable Rewards for LLM Negotiations

arXiv:2607.05863v1 Announce Type: new Abstract: Negotiation is a fundamental strategic interaction in management science, characterized by agents attempting to reach agreements while protecting privat

agentsarxiv-cs-lg

Compressing the Validation Bottleneck: An Agentic Self-Driving Lab for Scientific Discovery

arXiv:2607.04508v1 Announce Type: new Abstract: Agentic AI-for-Science can automate ideation, planning, and analysis, but final validation still depends on real experiments. A self-driving lab (SDL) c

agentsarxiv-cs-ai

7 Jul 2026

EM3M: An Electron Micrograph Dataset for Microstructural Segmentation and Generation