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MolRGen: A Training and Evaluation Setting for De Novo Molecular Generation with Reasonning Models

arXiv:2603.18256v2 Announce Type: replace-cross Abstract: Recent reasoning-based large language models have shown strong performance on tasks with verifiable outcomes, but their use in de novo molecul

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Model Releases

MolSight: Molecular Property Prediction with Images

DGX agent

arXiv:2605.10157v1 Announce Type: cross Abstract: Every molecule ever synthesised can be drawn as a 2D skeletal diagram, yet in modern property prediction this universally available representation has

model-releasesarxiv-cs-cl

12 May 2026

MonitoringBench: Semi-Automated Red-Teaming for Agent Monitoring

arXiv:2605.09684v1 Announce Type: cross Abstract: We introduce a red-teaming methodology that exposes harder-to-catch attacks for coding-agent monitors, suggesting that current practices may under-eli

MOTOR-Bench: A Real-world Dataset and Multi-agent Framework for Zero-shot Human Mental State Understanding

arXiv:2605.09703v1 Announce Type: new Abstract: Understanding human mental states from natural behavior is crucial for intelligent systems in the real world. However, most current research focuses on

MPerS: Dynamic MLLM MixExperts Perception-Guided Remote Sensing Scene Segmentation

arXiv:2605.10769v1 Announce Type: cross Abstract: The multimodal fusion of images and scene captions has been extensively explored and applied in various fields. However, when dealing with complex rem

MulTaBench: Benchmarking Multimodal Tabular Learning with Text and Image

arXiv:2605.10616v1 Announce Type: cross Abstract: Tabular Foundation Models have recently established the state of the art in supervised tabular learning, by leveraging pretraining to learn generaliza

Multi-domain Multi-modal Document Classification Benchmark with a Multi-level Taxonomy

arXiv:2605.10550v1 Announce Type: new Abstract: Document classification forms the backbone of modern enterprise content management, yet existing benchmarks remain trapped in oversimplified paradigms -

Multi-Tier Labeling and Physics-Informed Learning for Orbital Anomaly Detection at Scale

arXiv:2605.09790v1 Announce Type: cross Abstract: Detecting orbital anomalies, such as maneuvers, atmospheric decay, and attitude upsets, across the rapidly growing population of low-Earth-orbit (LEO)

MULTITEXTEDIT: Benchmarking Cross-Lingual Degradation in Text-in-Image Editing

arXiv:2605.08163v1 Announce Type: cross Abstract: Text-in-image editing has become a key capability for visual content creation, yet existing benchmarks remain overwhelmingly English-centric and often

Muon-OGD: Muon-based Spectral Orthogonal Gradient Projection for LLM Continual Learning

arXiv:2605.08949v1 Announce Type: new Abstract: A central challenge in continual learning for large language models (LLMs) is catastrophic forgetting, where adapting to new tasks can substantially deg

NanoResearch: Co-Evolving Skills, Memory, and Policy for Personalized Research Automation

arXiv:2605.10813v1 Announce Type: new Abstract: LLM-powered multi-agent systems can now automate the full research pipeline from ideation to paper writing, but a fundamental question remains: automati

NARRA-Gym for Evaluating Interactive Narrative Agents

arXiv:2605.08503v1 Announce Type: new Abstract: Interactive narrative tasks require LLMs to sustain a coherent, evolving story while adapting to a user over multiple turns. However, suitable benchmark

Nautilus Compass: Black-box Persona Drift Detection for Production LLM Agents

arXiv:2605.09863v1 Announce Type: cross Abstract: Production LLM coding agents drift over long sessions: they forget user-specified constraints, slip into mistakes the user already flagged, and confab

Navigating the Sea of LLM Evaluation: Investigating Bias in Toxicity Benchmarks

arXiv:2605.10639v1 Announce Type: new Abstract: The rapid adoption of LLMs in both research and industry highlights the challenges of deploying them safely and reveals a gap in the systematic evaluati

Nested Slice Sampling: Vectorized Nested Sampling for GPU-Accelerated Inference

arXiv:2601.23252v2 Announce Type: replace-cross Abstract: Model comparison and calibrated uncertainty quantification often require integrating over parameters, but scalable inference can be challengin

Neural Cluster First, Route Second: One-Shot Capacitated Vehicle Routing via Differentiable Optimal Transport

arXiv:2605.09301v1 Announce Type: cross Abstract: The Capacitated Vehicle Routing Problem (CVRP) underpins modern last-mile logistics. Current Neural Combinatorial Optimization (NCO) methods construct

Neural Information Causality

arXiv:2605.09316v1 Announce Type: cross Abstract: Query-separated computation forces a representation to play an operational role: data are encoded before a query is known, and a later decoder can ans

Neural Posterior Estimation of Terrain Parameters from Radar Sounder Data

arXiv:2605.08179v1 Announce Type: cross Abstract: Radar sounders are electromagnetic instruments that can probe deep into the subsurface of Earth and other planetary bodies by processing the echo of t

Neural Weight Norm = Kolmogorov Complexity

arXiv:2605.10878v1 Announce Type: new Abstract: Why does weight decay work? We prove that, in any fixed-precision regime, the smallest weight norm of a looped neural network outputting a binary string

NeuralBench: A Unifying Framework to Benchmark NeuroAI Models

arXiv:2605.08495v1 Announce Type: new Abstract: Deep learning and large public datasets have recently catalyzed the proliferation of AI models for processing brain recordings. However, systematically

NeurIPS Should Require Reproducibility Standards for Frontier AI Safety Claims

arXiv:2605.08192v1 Announce Type: cross Abstract: Frontier AI safety claims - published assertions that a highly capable general-purpose model is below a threshold of concern, adequately mitigated, or

Normalization Equivariance for Arbitrary Backbones, with Application to Image Denoising

arXiv:2605.08193v1 Announce Type: cross Abstract: Normalization Equivariance (NE), equivariance to global contrast and brightness transforms, improves robustness to distribution shift in image-to-imag

Not All Proofs Are Equal: Evaluating LLM Proof Quality Beyond Correctness

arXiv:2605.10379v1 Announce Type: new Abstract: Large language models (LLMs) have become capable mathematical problem-solvers, often producing correct proofs for challenging problems. However, correct

Omni-DeepSearch: A Benchmark for Audio-Driven Omni-Modal Deep Search

arXiv:2605.08762v1 Announce Type: cross Abstract: Current omni-modal benchmarks mainly evaluate models under settings where multiple modalities are provided simultaneously, while the ability to start

Omni-Persona: Systematic Benchmarking and Improving Omnimodal Personalization

arXiv:2605.09996v1 Announce Type: new Abstract: While multimodal large language models have advanced across text, image, and audio, personalization research has remained primarily vision-language, wit

One for All: A Non-Linear Transformer can Enable Cross-Domain Generalization for In-Context Reinforcement Learning

arXiv:2605.09727v1 Announce Type: cross Abstract: A central challenge in reinforcement learning (RL) is to learn models that generalize beyond the tasks on which they are trained, a goal traditionally

OpenSGA: Efficient 3D Scene Graph Alignment in the Open World

arXiv:2605.10484v1 Announce Type: new Abstract: Scene graph alignment establishes object correspondences between two 3D scene graphs constructed from partially overlapping observations. This enables e

OPT-BENCH: Evaluating the Iterative Self-Optimization of LLM Agents in Large-Scale Search Spaces

arXiv:2605.08904v1 Announce Type: new Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities in reasoning and tool use. However, the fundamental cognitive faculties essential

Optimal FALQON for Quantum Approximate Optimization via Layer-wise Parameter Tuning

arXiv:2605.08332v1 Announce Type: cross Abstract: Feedback-based adaptive quantum optimization (FALQON) is a promising approach for solving combinatorial problems on noisy intermediate-scale quantum (

Optimality of Sub-network Laplace Approximations: New Results and Methods

arXiv:2605.09075v1 Announce Type: cross Abstract: Although the Laplace approximation offers a simple route to uncertainty quantification in deep neural networks, its reliance on inverting large Hessia

Optimised Support Vector Regression for California Housing Price Prediction: The Critical Role of Feature Engineering and Hyperparameter Tuning

arXiv:2605.08660v1 Announce Type: new Abstract: In the recent literature, Support Vector Regression (SVR) has been cited as one of the weakest performers on the California Housing benchmark dataset, w

Optimized Culprit Identification Using Mobilenet and Attention Mechanisms

arXiv:2605.08169v1 Announce Type: cross Abstract: Automated culprit identification in surveillance systems is a critical task that requires high accuracy along with computational efficiency for real-t

Oracle Poisoning: Corrupting Knowledge Graphs to Weaponise AI Agent Reasoning

arXiv:2605.09822v1 Announce Type: cross Abstract: We define Oracle Poisoning, an attack class in which an adversary corrupts a structured knowledge graph that AI agents query at runtime via tool-use p

OracleTSC: Oracle-Informed Reward Hurdle and Uncertainty Regularization for Traffic Signal Control

arXiv:2605.08516v1 Announce Type: new Abstract: Transparent decision-making is essential for traffic signal control (TSC) systems to earn public trust. However, traditional reinforcement learning-base

OrderFusion: Encoding Orderbook for End-to-End Probabilistic Intraday Electricity Price Forecasting

arXiv:2502.06830v5 Announce Type: replace-cross Abstract: Probabilistic intraday electricity price forecasting is becoming increasingly important for short-term power-system operation. With increasing

OTora: A Unified Red Teaming Framework for Reasoning-Level Denial-of-Service in LLM Agents

arXiv:2605.08876v1 Announce Type: new Abstract: Large Language Models (LLMs) are increasingly deployed as autonomous agents that execute tool-augmented, multi-step tasks, where latency is a critical f

Overconfident and Blind to Details: Fixing Prompt Insensitivity with Abductive Preference Learning

arXiv:2510.09887v2 Announce Type: replace Abstract: Vision and language models frequently ignore semantically critical input edits, defaulting to pretraining priors. For example, models will confident

Pairwise is Not Enough: Hypergraph Neural Networks for Multi-Agent Pathfinding

arXiv:2602.06733v2 Announce Type: replace-cross Abstract: Multi-Agent Path Finding (MAPF) is a representative multi-agent coordination problem, where multiple agents are required to navigate to their

PaperFit: Vision-in-the-Loop Typesetting Optimization for Scientific Documents

arXiv:2605.10341v1 Announce Type: new Abstract: A LaTeX manuscript that compiles without error is not necessarily publication-ready. The resulting PDFs frequently suffer from misplaced floats, overflo

Parallel Multi-Circuit Quantum Feature Fusion in Hybrid Quantum-Classical Convolutional Neural Networks for Breast Tumor Classification

arXiv:2512.02066v2 Announce Type: replace-cross Abstract: Quantum machine learning has emerged as a promising approach to improve feature extraction and classification tasks in high-dimensional data d

Parameter-Efficient Neuroevolution for Diverse LLM Generation: Quality-Diversity Optimization via Prompt Embedding Evolution

arXiv:2605.09781v1 Announce Type: cross Abstract: Large Language Models exhibit mode collapse, producing homogeneous outputs that fail to explore valid solution spaces. We present QD-LLM, a framework

Parameterized Complexity of Stationarity Testing for Piecewise-Affine Functions and Shallow CNN Losses

arXiv:2605.10219v1 Announce Type: cross Abstract: We study the parameterized complexity of testing approximate first-order stationarity at a prescribed point for continuous piecewise-affine (PA) funct

Path-Based Gradient Boosting for Graph-Level Prediction

arXiv:2605.08102v1 Announce Type: new Abstract: We propose PathBoost, a gradient tree boosting method for graph-level classification and regression that learns discriminative path-based features direc

PDEAgent-Bench: A Multi-Metric, Multi-Library Benchmark for PDE Solver Generation

arXiv:2605.09636v1 Announce Type: new Abstract: PDE-to-solver code generation aims to automatically synthesize executable numerical solvers from partial differential equation (PDE) specifications. Thi

Per-Loss Adapters for Gradient Conflict in Physics-Informed Neural Networks

arXiv:2605.10136v1 Announce Type: new Abstract: Physics-informed neural networks (PINNs) train a single neural approximation by minimizing multiple physics- and data-derived losses, but the gradients

Personal Visual Context Learning in Large Multimodal Models

arXiv:2605.10936v1 Announce Type: new Abstract: As wearable devices like smart glasses integrate Large Multimodal Models (LMMs) into the continuous first-person visual streams of individual users, the

Personalized Alignment Revisited: The Necessity and Sufficiency of User Diversity

arXiv:2605.09119v1 Announce Type: cross Abstract: Personalized alignment aims to adapt large language models to heterogeneous user preferences, yet the precise theoretical conditions for its statistic

PHIDA: Persistence-Guided Node-to-Cluster Mapping for Online Clustering

arXiv:2605.08673v1 Announce Type: new Abstract: Online clustering methods that adaptively create and update nodes as data arrive often make node learning explicit, whereas the mapping from the learned