Daily Arxiv

전 세계에서 발간되는 인공지능 관련 논문을 정리하는 페이지 입니다.
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논문에 대한 저작권은 저자 및 해당 기관에 있으며, 공유 시 출처만 명기하면 됩니다.

Ring-lite: Scalable Reasoning via C3PO-Stabilized Reinforcement Learning for LLMs

Accurate and scalable exchange-correlation with deep learning

AIn't Nothing But a Survey? Using Large Language Models for Coding German Open-Ended Survey Responses on Survey Motivation

Probabilistic Aggregation and Targeted Embedding Optimization for Collective Moral Reasoning in Large Language Models

Aligning Evaluation with Clinical Priorities: Calibration, Label Shift, and Error Costs

GRAM: A Generative Foundation Reward Model for Reward Generalization

VideoMAR: Autoregressive Video Generatio with Continuous Tokens

FrontendBench: A Benchmark for Evaluating LLMs on Front-End Development via Automatic Evaluation

Seewo's Submission to MLC-SLM: Lessons learned from Speech Reasoning Language Models

No-Regret Learning Under Adversarial Resource Constraints: A Spending Plan Is All You Need!

Serving Large Language Models on Huawei CloudMatrix384

PLD: A Choice-Theoretic List-Wise Knowledge Distillation

TARDIS STRIDE: A Spatio-Temporal Road Image Dataset and World Model for Autonomy

Refactoring Codebases through Library Design

TransXSSM: A Hybrid Transformer State Space Model with Unified Rotary Position Embedding

Multi-Agent Language Models: Advancing Cooperation, Coordination, and Adaptation

Multi-Task Reward Learning from Human Ratings

Too Big to Think: Capacity, Memorization, and Generalization in Pre-Trained Transformers

Router-R1: Teaching LLMs Multi-Round Routing and Aggregation via Reinforcement Learning

Vision Transformers Don't Need Trained Registers

BIS Reasoning 1.0: The First Large-Scale Japanese Benchmark for Belief-Inconsistent Syllogistic Reasoning

LaMP-Cap: Personalized Figure Caption Generation With Multimodal Figure Profiles

CORA: Coalitional Rational Advantage Decomposition for Multi-Agent Policy Gradients

Supervised Quantum Machine Learning: A Future Outlook from Qubits to Enterprise Applications

ChemHAS: Hierarchical Agent Stacking for Enhancing Chemistry Tools

ALPS: Attention Localization and Pruning Strategy for Efficient Alignment of Large Language Models

Think Twice before Adaptation: Improving Adaptability of DeepFake Detection via Online Test-Time Adaptation

Efficient Long CoT Reasoning in Small Language Models

Imagine Beyond! Distributionally Robust Auto-Encoding for State Space Coverage in Online Reinforcement Learning

MSVIT: Improving Spiking Vision Transformer Using Multi-scale Attention Fusion

J4R: Learning to Judge with Equivalent Initial State Group Relative Policy Optimization

Fractured Chain-of-Thought Reasoning

DreamGen: Unlocking Generalization in Robot Learning through Video World Models

UD-English-CHILDES: A Collected Resource of Gold and Silver Universal Dependencies Trees for Child Language Interactions

Position Paper: Rethinking Privacy in RL for Sequential Decision-making in the Age of LLMs

Influential Bandits: Pulling an Arm May Change the Environment

SCAM: A Real-World Typographic Robustness Evaluation for Multimodal Foundation Models

Trust Region Preference Approximation: A simple and stable reinforcement learning algorithm for LLM reasoning

Exploring Personalized Federated Learning Architectures for Violence Detection in Surveillance Videos

A Bird Song Detector for improving bird identification through Deep Learning: a case study from Do\~nana

KANITE: Kolmogorov-Arnold Networks for ITE estimation

Beyond Propagation of Chaos: A Stochastic Algorithm for Mean Field Optimization

Resolving UnderEdit & OverEdit with Iterative & Neighbor-Assisted Model Editing

Adding Chocolate to Mint: Mitigating Metric Interference in Machine Translation

EgoBlind: Towards Egocentric Visual Assistance for the Blind

PsychBench: A comprehensive and professional benchmark for evaluating the performance of LLM-assisted psychiatric clinical practice

Machine Learners Should Acknowledge the Legal Implications of Large Language Models as Personal Data

Supporting the development of Machine Learning for fundamental science in a federated Cloud with the AI_INFN platform

CODESYNC: Synchronizing Large Language Models with Dynamic Code Evolution at Scale

Wolfpack Adversarial Attack for Robust Multi-Agent Reinforcement Learning

Task-Aware Virtual Training: Enhancing Generalization in Meta-Reinforcement Learning for Out-of-Distribution Tasks

Representations Shape Weak-to-Strong Generalization: Theoretical Insights and Empirical Predictions

Perspective Transition of Large Language Models for Solving Subjective Tasks

Can LLMs Ask Good Questions?

Aligning AI Research with the Needs of Clinical Coding Workflows: Eight Recommendations Based on US Data Analysis and Critical Review

SurgSora: Object-Aware Diffusion Model for Controllable Surgical Video Generation

Large Language Models for Automated Literature Review: An Evaluation of Reference Generation, Abstract Writing, and Review Composition

Multiclass Post-Earthquake Building Assessment Integrating High-Resolution Optical and SAR Satellite Imagery, Ground Motion, and Soil Data with Transformers

REVOLVE: Optimizing AI Systems by Tracking Response Evolution in Textual Optimization

FLARE: Towards Universal Dataset Purification against Backdoor Attacks

Heterogeneous Relationships of Subjects and Shapelets for Semi-supervised Multivariate Series Classification

Contrast Similarity-Aware Dual-Pathway Mamba for Multivariate Time Series Node Classification

Semantic-Geometric-Physical-Driven Robot Manipulation Skill Transfer via Skill Library and Tactile Representation

LL\"aMmlein: Transparent, Compact and Competitive German-Only Language Models from Scratch

Math Neurosurgery: Isolating Language Models' Math Reasoning Abilities Using Only Forward Passes

The Epochal Sawtooth Phenomenon: Unveiling Training Loss Oscillations in Adam and Other Optimizers

Pap2Pat: Benchmarking Outline-Guided Long-Text Patent Generation with Patent-Paper Pairs

Deep Graph Anomaly Detection: A Survey and New Perspectives

A Novel Perturb-ability Score to Mitigate Evasion Adversarial Attacks on Flow-Based ML-NIDS

Style-Preserving Lip Sync via Audio-Aware Style Reference

Advancing oncology with federated learning: transcending boundaries in breast, lung, and prostate cancer. A systematic review

Generalized Out-of-Distribution Detection and Beyond in Vision Language Model Era: A Survey

Informed Correctors for Discrete Diffusion Models

RadioRAG: Online Retrieval-augmented Generation for Radiology Question Answering

A Systematic Survey of Natural Language Processing for the Greek Language

Predicting the Understandability of Computational Notebooks through Code Metrics Analysis

An Effective Incorporating Heterogeneous Knowledge Curriculum Learning for Sequence Labeling

HiURE: Hierarchical Exemplar Contrastive Learning for Unsupervised Relation Extraction

The NordDRG AI Benchmark for Large Language Models

From Data-Driven to Purpose-Driven Artificial Intelligence: Systems Thinking for Data-Analytic Automation of Patient Care

Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?

Entropy-based Exploration Conduction for Multi-step Reasoning

Solving Satisfiability Modulo Counting Exactly with Probabilistic Circuits

Synthesizing Composite Hierarchical Structure from Symbolic Music Corpora

Learning Strategic Language Agents in the Werewolf Game with Iterative Latent Space Policy Optimization

Optimal Transport for Probabilistic Circuits

OM4OV: Leveraging Ontology Matching for Ontology Versioning

Behaviour Planning: A Toolkit for Diverse Planning

Spatial Context-based Self-Supervised Learning for Handwritten Text Recognition

"Generate" the Future of Work through AI: Empirical Evidence from Online Labor Markets

Dense SAE Latents Are Features, Not Bugs

Sekai: A Video Dataset towards World Exploration

Leaky Thoughts: Large Reasoning Models Are Not Private Thinkers

AutoRule: Reasoning Chain-of-thought Extracted Rule-based Rewards Improve Preference Learning

Demystifying the Visual Quality Paradox in Multimodal Large Language Models

Revisiting Compositional Generalization Capability of Large Language Models Considering Instruction Following Ability

Federated Learning for MRI-based BrainAGE: a multicenter study on post-stroke functional outcome prediction

GFLC: Graph-based Fairness-aware Label Correction for Fair Classification

The Compositional Architecture of Regret in Large Language Models

LoX: Low-Rank Extrapolation Robustifies LLM Safety Against Fine-tuning

Accurate and scalable exchange-correlation with deep learning

Created by

Haebom

저자

Giulia Luise, Chin-Wei Huang, Thijs Vogels, Derk P. Kooi, Sebastian Ehlert, Stephanie Lanius, Klaas J. H. Giesbertz, Amir Karton, Deniz Gunceler, Megan Stanley, Wessel P. Bruinsma, Lin Huang, Xinran Wei, Jose Garrido Torres, Abylay Katbashev, Balint Mate, Sekou-Oumar Kaba, Roberto Sordillo, Yingrong Chen, David B. Williams-Young, Christopher M. Bishop, Jan Hermann, Rianne van den Berg, Paola Gori-Giorgi

개요

본 논문은 밀도범함수이론(DFT)의 exchange-correlation (XC) 함수 근사를 딥러닝 기반으로 학습하여, Skala라는 새로운 XC 함수를 제시합니다. 기존의 수작업으로 설계된 특징들을 사용하는 대신, 대량의 고정밀 참조 데이터를 이용하여 직접 데이터로부터 표현을 학습합니다. Skala는 소규모 분자의 원자화 에너지에 대해 화학적 정확도(1 kcal/mol 이하의 오차)를 달성하면서, 반경험적 DFT의 계산 효율성을 유지합니다. 다양한 화학 분야를 포함하는 추가적인 고정밀 데이터를 사용하여 훈련하면, 일반적인 주족 원소 화학에서 최고 성능의 하이브리드 함수와 경쟁적인 정확도를 달성합니다. 훈련 데이터셋의 확장에 따라 Skala의 예측력이 더욱 향상될 것으로 기대됩니다.

시사점, 한계점

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시사점:

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딥러닝을 이용하여 DFT의 XC 함수 근사를 효율적으로 개선할 수 있음을 보여줌.

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기존의 수작업 기반 XC 함수보다 높은 정확도와 계산 효율을 동시에 달성.

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대규모 고정밀 데이터를 활용하여 모델의 일반화 성능을 향상시킴.

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훈련 데이터셋 확장을 통해 더욱 향상된 예측 성능을 기대할 수 있음.

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한계점:

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현재는 소규모 분자의 원자화 에너지 및 일반적인 주족 원소 화학에 대한 성능이 주로 평가됨. 다른 물리적, 화학적 특성에 대한 예측 성능은 추가적인 검증이 필요함.

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훈련 데이터의 질과 양에 대한 의존도가 높음. 데이터 편향이 모델의 성능에 영향을 미칠 수 있음.

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딥러닝 모델의 블랙박스 특성으로 인해, 모델의 예측 결과에 대한 해석이 어려울 수 있음.

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