OpenRaiser/Intern-Atlas huggingface dataset:
Out-of-Distribution Detection in Molecular Complexes via Diffusion Models for Irregular Graphs
Venue: arXiv cs.LG 2026
Year: 2026

Predictive machine learning models generally excel on in-distribution data, but their performance degrades on out-of-distribution (OOD) inputs. Reliable deployment therefore requires robust OOD detection, yet this is particularly challenging for irregular 3D graphs that combine continuous geometry with categorical identities and are unordered by construction. Here, we present a probabilistic OOD detection framework for complex 3D graph data built on a diffusion model that learns a density of the training distribution in a fully unsupervised manner. A key ingredient we introduce is a unified continuous diffusion over both 3D coordinates and discrete features: categorical identities are embedded in a continuous space and trained with cross-entropy, while the corresponding diffusion score is obtained analytically via posterior-mean interpolation from predicted class probabilities. This yields a single self-consistent probability-flow ODE (PF-ODE) that produces per-sample log-likelihoods, providing a principled typicality score for distribution shift. We validate the approach on protein-ligand complexes and construct strict OOD datasets by withholding entire protein families from training. PF-ODE likelihoods identify held-out families as OOD and correlate strongly with prediction errors of an independent binding-affinity model (GEMS), enabling a priori reliability estimates on new complexes. Beyond scalar likelihoods, we show that multi-scale PF-ODE trajectory statistics - including path tortuosity, flow stiffness, and vector-field instability - provide complementary OOD information. Modeling the joint distribution of these trajectory features yields a practical, high-sensitivity detector that improves separation over likelihood-only baselines, offering a label-free OOD quantification workflow for geometric deep learning.
SWE-EVO: Benchmarking Coding Agents in Long-Horizon Software Evolution Scenarios
Venue: arXiv cs.SE 2026
Year: 2026

Existing benchmarks for AI coding agents focus on isolated, single-issue tasks such as fixing a bug or implementing a small feature. However, real-world software engineering is fundamentally a long-horizon endeavor: developers must interpret high-level requirements, plan coordinated changes across many files, and evolve codebases over multiple iterations while preserving existing functionality. We introduce SWE-EVO, a benchmark that evaluates agents on this long-horizon software evolution challenge. Constructed from release notes and version histories of seven mature open-source Python projects, SWE-EVO comprises 48 evolution tasks that require agents to implement multi-step modifications spanning an average of 21 files, validated against comprehensive test suites averaging 874 tests per instance. Experiments with state-of-the-art models reveal a striking capability gap: even GPT-5 with OpenHands achieves only a 21 percent resolution rate on SWE-EVO, compared to 65 percent on the single-issue SWE-Bench Verified. This demonstrates that current agents struggle with sustained, multi-file reasoning. We also propose Fix Rate, a fine-grained metric that captures partial progress toward solving these complex, long-horizon tasks.
Rectification Reimagined: A Unified Mamba Model for Image Correction and Rectangling with Prompts
Venue: arXiv cs.CV 2026
Year: 2026

Image correction and rectangling are valuable tasks in practical photography systems such as smartphones. Recent remarkable advancements in deep learning have undeniably brought about substantial performance improvements in these fields. Nevertheless, existing methods mainly rely on task-specific architectures. This significantly restricts their generalization ability and effective application across a wide range of different tasks. In this paper, we introduce the Unified Rectification Framework (UniRect), a comprehensive approach that addresses these practical tasks from a consistent distortion rectification perspective. Our approach incorporates various task-specific inverse problems into a general distortion model by simulating different types of lenses. To handle diverse distortions, UniRect adopts one task-agnostic rectification framework with a dual-component structure: a {Deformation Module}, which utilizes a novel Residual Progressive Thin-Plate Spline (RP-TPS) model to address complex geometric deformations, and a subsequent Restoration Module, which employs Residual Mamba Blocks (RMBs) to counteract the degradation caused by the deformation process and enhance the fidelity of the output image. Moreover, a Sparse Mixture-of-Experts (SMoEs) structure is designed to circumvent heavy task competition in multi-task learning due to varying distortions. Extensive experiments demonstrate that our models have achieved state-of-the-art performance compared with other up-to-date methods.
Generative Modeling through Koopman Spectral Analysis: An Operator-Theoretic Perspective
Venue: arXiv cs.LG 2026
Year: 2026

We propose Koopman Spectral Wasserstein Gradient Descent (KSWGD), a particle-based generative modeling framework that learns the Langevin generator via Koopman theory and integrates it with Wasserstein gradient descent. Our key insight is that this spectral structure of the underlying distribution can be directly estimated from trajectory data via the Koopman operator, eliminating the need for explicit knowledge of the target potential. Additionally, we prove that KSWGD maintains an approximately constant dissipation rate, thereby establishing linear convergence and overcoming the vanishing-gradient phenomenon that hinders existing kernel-based particle methods. We further provide a Feynman--Kac interpretation that clarifies the method's probabilistic foundation. Experiments on compact manifolds, metastable multi-well systems, and high-dimensional stochastic partial differential equations demonstrate that KSWGD consistently outperforms baselines in both convergence speed and sample quality.
What Drives Issue Resolution Speed? An Empirical Study of Scientific Workflow Systems on GitHub
Venue: arXiv cs.SE 2026
Year: 2026

Scientific Workflow Systems (SWSs) play a vital role in enabling reproducible, scalable, and automated scientific analysis. Like other open-source software, these systems depend on active maintenance and community engagement to remain reliable and sustainable. However, despite the importance of timely issue resolution for software quality and community trust, little is known about what drives issue resolution speed within SWSs. This paper presents an empirical study of issue management and resolution across a collection of GitHub-hosted SWS projects. We analyze 21,116 issues to investigate how project characteristics, issue metadata, and contributor interactions affect time-to-close. Specifically, we address two research questions: (1) how issues are managed and addressed in SWSs, and (2) how issue and contributor features relate to issue resolution speed. We find that 68.91% of issues are closed, with half of them resolved within 18.09 days. Our results show that although SWS projects follow structured issue management practices, the issue resolution speed varies considerably across systems. Factors such as labeling and assigning issues are associated with faster issue resolution. Based on our findings, we make recommendations for developers to better manage SWS repository issues and improve their quality.
Gabliteration: Adaptive Multi-Directional Neural Weight Modification for Selective Behavioral Alteration in Large Language Models
Venue: arXiv cs.AI 2026
Year: 2026

We present Gabliteration, a novel neural weight modification technique that advances beyond traditional abliteration methods by implementing adaptive multi-directional projections with regularized layer selection. Our approach addresses the fundamental limitation of existing methods that compromise model quality while attempting to modify specific behavioral patterns. Through dynamic layer optimization, regularized projection matrices, and adaptive scaling mechanisms, we achieve theoretically superior weight modification while minimizing quality degradation in unrelated domains. We validate our method through the gabliterated-v1 model series (0.6B to 4B parameters) available on Hugging Face, demonstrating practical applicability across multiple model scales.
Training Multimodal Large Reasoning Models Needs Better Thoughts: A Three-Stage Framework for Long Chain-of-Thought Synthesis and Selection
Venue: arXiv cs.AI 2026
Year: 2026

Large Reasoning Models (LRMs) have demonstrated remarkable performance on complex reasoning tasks through long Chain-of-Thought (CoT) reasoning. Extending these successes to multimodal reasoning remains challenging due to the increased complexity of integrating diverse input modalities and the scarcity of high-quality long CoT training data. Existing multimodal datasets and CoT synthesis methods still suffer from limited reasoning depth, modality conversion errors, and rigid generation pipelines, hindering model performance and stability. To this end, in this paper, we propose SynSelect, a novel three-stage Synthesis-Selection framework for generating high-quality long CoT data tailored to multimodal reasoning tasks. Specifically, SynSelect first leverages multiple heterogeneous multimodal LRMs to produce diverse candidate CoTs, and then applies both instance and batch level selection to filter high-quality CoTs that can effectively enhance the model's reasoning capabilities. Extensive experiments on multiple multimodal benchmarks demonstrate that models supervised fine-tuned on SynSelect-generated data significantly outperform baselines and achieve further improvements after reinforcement learning post-training. Our results validate SynSelect as an effective approach for advancing multimodal LRMs reasoning capabilities.
Recontextualization Mitigates Specification Gaming without Modifying the Specification
Venue: arXiv cs.AI 2026
Year: 2026

Developers often struggle to specify correct training labels and rewards. Perhaps they don't need to. We propose recontextualization, which reduces how often language models "game" training signals, performing misbehaviors those signals mistakenly reinforce. We show recontextualization prevents models from learning to 1) prioritize evaluation metrics over chat response quality; 2) special-case code to pass incorrect tests; 3) overwrite evaluation functions rather than write correct code; and 4) become sycophantic. Our method works by generating completions from prompts discouraging misbehavior and then recontextualizing them as though they were in response to prompts permitting misbehavior. Recontextualization trains language models to resist misbehavior even when instructions permit it. This mitigates the reinforcement of misbehavior from misspecified training signals, reducing specification gaming without improving the supervision signal.
Efficient Personalization of Generative Models via Optimal Experimental Design
Venue: arXiv cs.LG 2026
Year: 2026

Preference learning from human feedback has the ability to align generative models with the needs of end-users. Human feedback is costly and time-consuming to obtain, which creates demand for data-efficient query selection methods. This work presents a novel approach that leverages optimal experimental design to ask humans the most informative preference queries, from which we can elucidate the latent reward function modeling user preferences efficiently. We formulate the problem of preference query selection as the one that maximizes the information about the underlying latent preference model. We show that this problem has a convex optimization formulation, and introduce a statistically and computationally efficient algorithm ED-PBRL that is supported by theoretical guarantees and can efficiently construct structured queries such as images or text. We empirically present the proposed framework by personalizing a text-to-image generative model to user-specific styles, showing that it requires less preference queries compared to random query selection.
Understanding Chain-of-Thought in Large Language Models via Topological Data Analysis
Venue: arXiv cs.AI 2026
Year: 2026

With the development of large language models (LLMs), particularly with the introduction of the long reasoning chain technique, the reasoning ability of LLMs in complex problem-solving has been significantly enhanced. While acknowledging the power of long reasoning chains, we cannot help but wonder: Why do different reasoning chains perform differently in reasoning? What components of the reasoning chains play a key role? Existing studies mainly focus on evaluating reasoning chains from a functional perspective, with little attention paid to their structural mechanisms. To address this gap, this work is the first to analyze and evaluate the quality of the reasoning chain from a structural perspective. We apply persistent homology from Topological Data Analysis (TDA) to map reasoning steps into semantic space, extract topological features, and analyze structural changes. These changes reveal semantic coherence, logical redundancy, and identify logical breaks and gaps. By calculating homology groups, we assess connectivity and redundancy at various scales, using barcode and persistence diagrams to quantify stability and consistency. Our results show that the topological structural complexity of reasoning chains correlates positively with accuracy. More complex chains identify correct answers sooner, while successful reasoning exhibits simpler topologies, reducing redundancy and cycles, enhancing efficiency and interpretability. This work provides a new perspective on reasoning chain quality assessment and offers guidance for future optimization.
OMP: One-step Meanflow Policy with Directional Alignment
Venue: arXiv cs.RO 2026
Year: 2026

Robot manipulation has increasingly adopted data-driven generative policy frameworks, yet the field faces a persistent trade-off: diffusion models suffer from high inference latency, while flow-based methods often require complex architectural constraints. Although in image generation domain, the MeanFlow paradigm offers a path to single-step inference, its direct application to robotics is impeded by critical theoretical pathologies, specifically spectral bias and gradient starvation in low-velocity regimes. To overcome these limitations, we propose the One-step MeanFlow Policy (OMP), a novel framework designed for high-fidelity, real-time manipulation. We introduce a lightweight directional alignment mechanism to explicitly synchronize predicted velocities with true mean velocities. Furthermore, we implement a Differential Derivation Equation (DDE) to approximate the Jacobian-Vector Product (JVP) operator, which decouples forward and backward passes to significantly reduce memory complexity. Extensive experiments on the Adroit and Meta-World benchmarks demonstrate that OMP outperforms state-of-the-art methods in success rate and trajectory accuracy, particularly in high-precision tasks, while retaining the efficiency of single-step generation.
Deep Legendre Transform
Venue: arXiv cs.LG 2026
Year: 2026

We introduce a novel deep learning algorithm for computing convex conjugates of differentiable convex functions, a fundamental operation in convex analysis with various applications in different fields such as optimization, control theory, physics and economics. While traditional numerical methods suffer from the curse of dimensionality and become computationally intractable in high dimensions, more recent neural network--based approaches scale better, but have mostly been studied with the aim of solving optimal transport problems and require the solution of complicated optimization or max--min problems. Using an implicit Fenchel formulation of convex conjugation, our approach facilitates an efficient gradient--based framework for the minimization of approximation errors and, as a byproduct, also provides a posteriori estimates of the approximation accuracy. Numerical experiments demonstrate our method's ability to deliver accurate results across different high-dimensional examples. Moreover, by employing symbolic regression with Kolmogorov--Arnold networks, it is able to obtain the exact convex conjugates of specific convex functions.
Scalable Stewardship of an LLM-Assisted Clinical Benchmark with Physician Oversight
Venue: arXiv cs.AI 2026
Year: 2026

We examine the reliability of a widely used clinical AI benchmark whose reference labels were partially generated by LLMs, and find that a substantial fraction are clinically misaligned. We introduce a phased stewardship procedure to amplify the positive impact of physician experts' feedback and then demonstrate, via a controlled RL experiment, how uncaught label bias can materially affect downstream LLM evaluation and alignment. Our results demonstrate that partially LLM-generated labels can embed systemic errors that distort not only evaluation but also downstream model alignment. By adopting a hybrid oversight system, we can prioritize scarce expert feedback to maintain benchmarks as living, clinically-grounded documents. Ensuring this alignment is a prerequisite for the safe deployment of LLMs in high-stakes medical decision support.
UCCL-EP: Portable Expert-Parallel Communication
Venue: arXiv cs.DC 2026
Year: 2026

Mixture-of-Experts (MoE) workloads rely on expert parallelism (EP) to achieve high GPU efficiency. State-of-the-art EP communication systems such as DeepEP demonstrate strong performance but exhibit poor portability across heterogeneous GPU and NIC platforms. The poor portability is rooted in architecture: GPU-initiated token-level RDMA communication requires tight vertical integration between GPUs and NICs, e.g., GPU writes to NIC driver/MMIO interfaces. We present UCCL-EP, a portable EP communication system that delivers DeepEP-level performance across heterogeneous GPU and NIC hardware. UCCL-EP replaces GPU-initiated RDMA with a high-throughput GPU-CPU control channel: compact token-routing commands are transferred to multithreaded CPU proxies, which then issue GPUDirect RDMA operations on behalf of GPUs. UCCL-EP further emulates various ordering semantics required by specialized EP communication modes using RDMA immediate data, enabling correctness on NICs that lack such ordering, e.g., AWS EFA. We implement UCCL-EP on NVIDIA and AMD GPUs with EFA and Broadcom NICs. On EFA, it outperforms the best existing EP solution by up to $2.1\times$ for dispatch and combine throughput. On NVIDIA-only platform, UCCL-EP achieves comparable performance to the original DeepEP. UCCL-EP also improves token throughput on SGLang by up to 40% on the NVIDIA+EFA platform, and improves DeepSeek-V3 training throughput over the AMD Primus/Megatron-LM framework by up to 45% on a 16-node AMD+Broadcom platform.
Fun-Audio-Chat Technical Report
Venue: arXiv cs.CL 2026
Year: 2026

Recent advancements in joint speech-text models show great potential for seamless voice interactions. However, existing models face critical challenges: temporal resolution mismatch between speech tokens (25Hz) and text tokens (~3Hz) dilutes semantic information, incurs high computational costs, and causes catastrophic forgetting of text LLM knowledge. We introduce Fun-Audio-Chat, a Large Audio Language Model addressing these limitations via two innovations from our previous work DrVoice. First, Dual-Resolution Speech Representations (DRSR): the Shared LLM processes audio at efficient 5Hz (via token grouping), while the Speech Refined Head generates high-quality tokens at 25Hz, balancing efficiency (~50% GPU reduction) and quality. Second, Core-Cocktail Training, a two-stage fine-tuning with intermediate merging that mitigates catastrophic forgetting. We then apply Multi-Task DPO Training to enhance robustness, audio understanding, instruction-following and voice empathy. This multi-stage post-training enables Fun-Audio-Chat to retain text LLM knowledge while gaining powerful audio understanding, reasoning, and generation. Unlike recent LALMs requiring large-scale audio-text pre-training, Fun-Audio-Chat leverages pre-trained models and extensive post-training. Fun-Audio-Chat 8B and MoE 30B-A3B achieve competitive performance on Speech-to-Text and Speech-to-Speech tasks, ranking top among similar-scale models on Spoken QA benchmarks. They also achieve competitive to superior performance on Audio Understanding, Speech Function Calling, Instruction-Following and Voice Empathy. We develop Fun-Audio-Chat-Duplex, a full-duplex variant with strong performance on Spoken QA and full-duplex interactions. We open-source Fun-Audio-Chat-8B with training and inference code, and provide an interactive demo, at https://github.com/FunAudioLLM/Fun-Audio-Chat .
AprielGuard
Venue: arXiv cs.CL 2026
Year: 2026

Safeguarding large language models (LLMs) against unsafe or adversarial behavior is critical as they are increasingly deployed in conversational and agentic settings. Existing moderation tools often treat safety risks (e.g. toxicity, bias) and adversarial threats (e.g. prompt injections, jailbreaks) as separate problems, limiting their robustness and generalizability. We introduce AprielGuard, an 8B parameter safeguard model that unify these dimensions within a single taxonomy and learning framework. AprielGuard is trained on a diverse mix of open and synthetic data covering standalone prompts, multi-turn conversations, and agentic workflows, augmented with structured reasoning traces to improve interpretability. Across multiple public and proprietary benchmarks, AprielGuard achieves strong performance in detecting harmful content and adversarial manipulations, outperforming existing opensource guardrails such as Llama-Guard and Granite Guardian, particularly in multi-step and reasoning intensive scenarios. By releasing the model, we aim to advance transparent and reproducible research on reliable safeguards for LLMs.
Structured Visualization Design Knowledge for Grounding Generative Reasoning and Situated Feedback
Venue: arXiv cs.HC 2026
Year: 2026

Automated visualization design navigates a tension between symbolic systems and generative models. Constraint solvers enforce structural and perceptual validity, but the rules they require are difficult to author and too rigid to capture situated design knowledge. Large language models require no formal rules and can reason about contextual nuance, but they prioritize popular conventions over empirically grounded best practices. We address this tension by proposing a cataloging scheme that structures visualization design knowledge as natural-language guidelines with semantically typed metadata. This allows experts to author knowledge that machines can query. An expert study ($N=18$) indicates that practitioners routinely adapt heuristics to situational factors such as audience and communicative intent. To capture this reasoning, guideline sections specify not only advice but also the contexts where it applies, exceptions that invalidate it, and the sources from which it derives. We demonstrate the scheme's expressiveness by cataloging 744 guidelines drawn from cognitive science, accessibility standards, data journalism, and research on rhetorical aspects of visual communication. We embed guideline sections in a vector space, opening the knowledge itself to structural analysis. This reveals conflicting advice across sources and transferable principles between domains. Rather than replacing constraint-based tools, our scheme provides what they lack: situated guidance that generative systems can retrieve to ground their reasoning, users can verify against cited sources, and experts can author as knowledge evolves.