OpenRaiser/Intern-Atlas huggingface dataset:
UI-Genie: A Self-Improving Approach for Iteratively Boosting MLLM-based Mobile GUI Agents
Venue: Conference NeurIPS 2025
Year: 2025

In this paper, we introduce UI-Genie, a self-improving framework addressing two key challenges in GUI agents: verification of trajectory outcome is challenging and high-quality training data are not scalable. These challenges are addressed by a reward model and a self-improving pipeline, respectively. The reward model, UI-Genie-RM, features an image-text interleaved architecture that efficiently pro- cesses historical context and unifies action-level and task-level rewards. To sup- port the training of UI-Genie-RM, we develop deliberately-designed data genera- tion strategies including rule-based verification, controlled trajectory corruption, and hard negative mining. To address the second challenge, a self-improvement pipeline progressively expands solvable complex GUI tasks by enhancing both the agent and reward models through reward-guided exploration and outcome verification in dynamic environments. For training the model, we generate UI- Genie-RM-517k and UI-Genie-Agent-16k, establishing the first reward-specific dataset for GUI agents while demonstrating high-quality synthetic trajectory gen- eration without manual annotation. Experimental results show that UI-Genie achieves state-of-the-art performance across multiple GUI agent benchmarks with three generations of data-model self-improvement. We open-source our complete framework implementation and generated datasets to facilitate further research in https://github.com/Euphoria16/UI-Genie.
Breaking the Gradient Barrier: Unveiling Large Language Models for Strategic Classification
Venue: Conference NeurIPS 2025
Year: 2025

Strategic classification~(SC) explores how individuals or entities modify their features strategically to achieve favorable classification outcomes. However, existing SC methods, which are largely based on linear models or shallow neural networks, face significant limitations in terms of scalability and capacity when applied to real-world datasets with significantly increasing scale, especially in financial services and the internet sector. In this paper, we investigate how to leverage large language models to design a more scalable and efficient SC framework, especially in the case of growing individuals engaged with decision-making processes. Specifically, we introduce GLIM, a gradient-free SC method grounded in in-context learning. During the feed-forward process of self-attention, GLIM implicitly simulates the typical bi-level optimization process of SC, including both the feature manipulation and decision rule optimization. Without fine-tuning the LLMs, our proposed GLIM enjoys the advantage of cost-effective adaptation in dynamic strategic environments. Theoretically, we prove GLIM can support pre-trained LLMs to adapt to a broad range of strategic manipulations. We validate our approach through experiments with a collection of pre-trained LLMs on real-world and synthetic datasets in financial and internet domains, demonstrating that our GLIM exhibits both robustness and efficiency, and offering an effective solution for large-scale SC tasks.
RGNMR: A Gauss-Newton method for robust matrix completion with theoretical guarantees
Venue: Conference NeurIPS 2025
Year: 2025

Recovering a low rank matrix from a subset of its entries, some of which may be corrupted, is known as the robust matrix completion (RMC) problem. Existing RMC methods have several limitations: they require a relatively large number of observed entries; they may fail under overparametrization, when their assumed rank is higher than the correct one; and many of them fail to recover even mildly ill-conditioned matrices. In this paper we propose a novel RMC method, denoted $\texttt{RGNMR}$, which overcomes these limitations. $\texttt{RGNMR}$ is a simple factorization-based iterative algorithm, which combines a Gauss-Newton linearization with removal of entries suspected to be outliers. On the theoretical front, we prove that under suitable assumptions, $\texttt{RGNMR}$ is guaranteed exact recovery of the underlying low rank matrix. Our theoretical results improve upon the best currently known for factorization-based methods. On the empirical front, we show via several simulations the advantages of $\texttt{RGNMR}$ over existing RMC methods, and in particular its ability to handle a small number of observed entries, overparameterization of the rank and ill-conditioned matrices.
Learning (Approximately) Equivariant Networks via Constrained Optimization
Venue: Conference NeurIPS 2025
Year: 2025

Equivariant neural networks are designed to respect symmetries through their architecture, boosting generalization and sample efficiency when those symmetries are present in the data distribution. Real-world data, however, often departs from perfect symmetry because of noise, structural variation, measurement bias, or other symmetry-breaking effects. Strictly equivariant models may struggle to fit the data, while unconstrained models lack a principled way to leverage partial symmetries. Even when the data is fully symmetric, enforcing equivariance can hurt training by limiting the model to a restricted region of the parameter space. Guided by homotopy principles, where an optimization problem is solved by gradually transforming a simpler problem into a complex one, we introduce Adaptive Constrained Equivariance (ACE), a constrained optimization approach that starts with a flexible, non-equivariant model and gradually reduces its deviation from equivariance. This gradual tightening smooths training early on and settles the model at a data-driven equilibrium, balancing between equivariance and non-equivariance. Across multiple architectures and tasks, our method consistently improves performance metrics, sample efficiency, and robustness to input perturbations compared with strictly equivariant models and heuristic equivariance relaxations.
Gatekeeper: Improving Model Cascades Through Confidence Tuning
Venue: Conference NeurIPS 2025
Year: 2025

Large-scale machine learning models deliver strong performance across a wide range of tasks but come with significant computational and resource constraints. To mitigate these challenges, local smaller models are often deployed alongside larger models, relying on routing and deferral mechanisms to offload complex tasks. However, existing approaches inadequately balance the capabilities of these models, often resulting in unnecessary deferrals or sub-optimal resource usage. In this work we introduce a novel loss function called Gatekeeper for calibrating smaller models in cascade setups. Our approach fine-tunes the smaller model to confidently handle tasks it can perform correctly while deferring complex tasks to the larger model. Moreover, it incorporates a mechanism for managing the trade-off between model performance and deferral accuracy, and is broadly applicable across various tasks and domains without any architectural changes. We evaluate our method on encoder-only, decoder-only, and encoder-decoder architectures. Experiments across image classification, language modeling, and vision-language tasks show that our approach substantially improves deferral performance.
Modeling the Economic Impacts of AI Openness Regulation
Venue: Conference NeurIPS 2025
Year: 2025

Regulatory frameworks, such as the EU AI Act, encourage openness of general-purpose AI models by offering legal exemptions for "open-source" models. Despite this legislative attention on openness, the definition of open-source foundation models remains ambiguous. This paper models the strategic interactions among the creator of a general-purpose model (the generalist) and the entity that fine-tunes the general-purpose model to a specialized domain or task (the specialist), in response to regulatory requirements on model openness. We present a stylized model of the regulator's choice of an open-source definition to evaluate which AI openness standards will establish appropriate economic incentives for developers. Our results characterize market equilibria -- specifically, upstream model release decisions and downstream fine-tuning efforts -- under various openness regulations and present a range of effective regulatory penalties and open-source thresholds. Overall, we find the model's baseline performance determines when increasing the regulatory penalty vs. the open-source threshold will significantly alter the generalist's release strategy. Our model provides a theoretical foundation for AI governance decisions around openness and enables evaluation and refinement of practical open-source policies.
Context-Aware Hierarchical Learning: A Two-Step Paradigm towards Safer LLMs
Venue: Conference NeurIPS 2025
Year: 2025

Large Language Models (LLMs) have emerged as powerful tools for diverse applications. However, their uniform token processing paradigm introduces critical vulnerabilities in instruction handling, particularly when exposed to adversarial scenarios. In this work, we identify and propose a novel class of vulnerabilities, termed Tool-Completion Attack (TCA), which exploits function-calling mechanisms to subvert model behavior. To evaluate LLM robustness against such threats, we introduce the Tool-Completion benchmark, a comprehensive security assessment framework, which reveals that even state-of-the-art models remain susceptible to TCA, with surprisingly high attack success rates. To address these vulnerabilities, we introduce Context-Aware Hierarchical Learning (CAHL), a sophisticated mechanism that dynamically balances semantic comprehension with role-specific instruction constraints. CAHL leverages the contextual correlations between different instruction segments to establish a robust, context-aware instruction hierarchy. Extensive experiments demonstrate that CAHL significantly enhances LLM robustness against both conventional attacks and the proposed TCA, exhibiting strong generalization capabilities in zero-shot evaluations while still preserving model performance on generic tasks. Our code is available at https://github.com/S2AILab/CAHL.
Martingale Posterior Neural Networks for Fast Sequential Decision Making
Venue: Conference NeurIPS 2025
Year: 2025

We introduce scalable algorithms for online learning of neural network parameters and Bayesian sequential decision making. Unlike classical Bayesian neural networks, which induce predictive uncertainty through a posterior over model parameters, our methods adopt a predictive-first perspective based on martingale posteriors. In particular, we work directly with the one-step-ahead posterior predictive, which we parameterize with a neural network and update sequentially with incoming observations. This decouples Bayesian decision-making from parameter-space inference: we sample from the posterior predictive for decision making, and update the parameters of the posterior predictive via fast, frequentist Kalman-filter-like recursions. Our algorithms operate in a fully online, replay-free setting, providing principled uncertainty quantification without costly posterior sampling. Empirically, they achieve competitive performance-speed trade-offs in non-stationary contextual bandits and Bayesian optimization, offering 10-100 times faster inference than classical Thompson sampling while maintaining comparable or superior decision performance.
One-Step Offline Distillation of Diffusion-based Models  via Koopman Modeling
Venue: Conference NeurIPS 2025
Year: 2025

Diffusion-based generative models have demonstrated exceptional performance, yet their iterative sampling procedures remain computationally expensive. A prominent strategy to mitigate this cost is distillation, with offline distillation offering particular advantages in terms of efficiency, modularity, and flexibility. In this work, we identify two key observations that motivate a principled distillation framework: (1) while diffusion models have been viewed through the lens of dynamical systems theory, powerful and underexplored tools can be further leveraged; and (2) diffusion models inherently impose structured, semantically coherent trajectories in latent space. Building on these observations, we introduce the Koopman Distillation Model (KDM), a novel offline distillation approach grounded in Koopman theory - a classical framework for representing nonlinear dynamics linearly in a transformed space. KDM encodes noisy inputs into an embedded space where a learned linear operator propagates them forward, followed by a decoder that reconstructs clean samples. This enables single-step generation while preserving semantic fidelity. We provide theoretical justification for our approach: (1) under mild assumptions, the learned diffusion dynamics admit a finite-dimensional Koopman representation; and (2) proximity in the Koopman latent space correlates with semantic similarity in the generated outputs, allowing for effective trajectory alignment. KDM achieves highly competitive performance across standard offline distillation benchmarks.
Single GPU Task Adaptation of Pathology Foundation Models for Whole Slide Image Analysis
Venue: Conference NeurIPS 2025
Year: 2025

Pathology foundation models (PFMs) have emerged as powerful tools for analyzing whole slide images (WSIs). However, adapting these pretrained PFMs for specific clinical tasks presents considerable challenges, primarily due to the availability of only weak (WSI-level) labels for gigapixel images, necessitating multiple instance learning (MIL) paradigm for effective WSI analysis. This paper proposes a novel approach for single-GPU \textbf{T}ask \textbf{A}daptation of \textbf{PFM}s (TAPFM) that uses vision transformer (\vit) attention for MIL aggregation while optimizing both for feature representations and attention weights. The proposed approach maintains separate computational graphs for MIL aggregator and the PFM to create stable training dynamics that align with downstream task objectives during end-to-end adaptation. Evaluated on mutation prediction tasks for bladder cancer and lung adenocarcinoma across institutional and TCGA cohorts, TAPFM consistently outperforms conventional approaches, with H-Optimus-0 (TAPFM) outperforming the benchmarks. TAPFM effectively handles multi-label classification of actionable mutations as well. Thus, TAPFM makes adaptation of powerful pre-trained PFMs practical on standard hardware for various clinical applications.
AdaSPEC: Selective Knowledge Distillation for Efficient Speculative Decoders
Venue: Conference NeurIPS 2025
Year: 2025

Speculative Decoding (SD) accelerates large language model inference by employing a small draft model to generate predictions, which are then verified by a larger target model. The effectiveness of SD hinges on the alignment between these models, which is typically enhanced by Knowledge Distillation (KD). However, conventional KD methods aim to minimize the KL divergence between the draft and target models across all tokens, a goal that is misaligned with the true objective of SD, which is to maximize token acceptance rate. Therefore, draft models often struggle to fully assimilate the target model's knowledge due to capacity constraints, leading to suboptimal performance. To address this challenge, we propose AdaSPEC, a novel method that incorporates selective token filtering into the KD process. AdaSPEC utilizes a reference model to identify and filter out difficult-to-fit tokens, enabling the distillation of a draft model that better aligns with the target model on simpler tokens. This approach improves the overall token acceptance rate without compromising generation quality. We evaluate AdaSPEC across diverse tasks, including arithmetic reasoning, instruction-following, coding, and summarization, using model configurations of 31M/1.4B and 350M/2.7B parameters. Our results demonstrate that AdaSPEC consistently outperforms the state-of-the-art DistillSpec method, achieving higher acceptance rates across all tasks (up to 15\%). The code is publicly available at https://github.com/yuezhouhu/adaspec.
ScatterAD: Temporal-Topological Scattering Mechanism for Time Series Anomaly Detection
Venue: Conference NeurIPS 2025
Year: 2025

One main challenge in time series anomaly detection for industrial IoT lies in the complex spatio-temporal couplings within multivariate data. However, traditional anomaly detection methods focus on modeling spatial or temporal dependencies independently, resulting in suboptimal representation learning and limited sensitivity to anomalous dispersion in high-dimensional spaces. In this work, we conduct an empirical analysis showing that both normal and anomalous samples tend to scatter in high-dimensional space, especially anomalous samples are markedly more dispersed. We formalize this dispersion phenomenon as scattering, quantified by the mean pairwise distance among sample representations, and leverage it as an inductive signal to enhance spatio-temporal anomaly detection. Technically, we propose ScatterAD to model representation scattering across temporal and topological dimensions. ScatterAD incorporates a topological encoder for capturing graph-structured scattering and a temporal encoder for constraining over-scattering through mean squared error minimization between neighboring time steps. We introduce a contrastive fusion mechanism to ensure the complementarity of the learned temporal and topological representations. Additionally, we theoretically show that maximizing the conditional mutual information between temporal and topological views improves cross-view consistency and enhances more discriminative representations. Extensive experiments on multiple public benchmarks show that ScatterAD achieves state-of-the-art performance on multivariate time series anomaly detection. Code is available at this repository: https://github.com/jk-sounds/ScatterAD.
Learning to Steer: Input-dependent Steering for Multimodal LLMs
Venue: Conference NeurIPS 2025
Year: 2025

Steering has emerged as a practical approach to enable post-hoc guidance of LLMs towards enforcing a specific behavior. However, it remains largely underexplored for multimodal LLMs (MLLMs); furthermore, existing steering techniques, such as mean steering, rely on a single steering vector, applied independently of the input query. This paradigm faces limitations when the desired behavior is dependent on the example at hand. For example, a safe answer may consist in abstaining from answering when asked for an illegal activity, or may point to external resources or consultation with an expert when asked about medical advice. In this paper, we investigate a fine-grained steering that uses an input-specific linear shift. This shift is computed using contrastive input-specific prompting. However, the input-specific prompts required for this approach are not known at test time. Therefore, we propose to train a small auxiliary module to predict the input-specific steering vector. Our approach, dubbed as L2S (Learn-to-Steer), demonstrates that it reduces hallucinations and enforces safety in MLLMs, outperforming other static baselines. Our code is publicly available at https://jayneelparekh.github.io/learn-to-steer/
Crucible: Quantifying the Potential of Control Algorithms through LLM Agents
Venue: Conference NeurIPS 2025
Year: 2025

Control algorithms in production environments typically require domain experts to tune their parameters and logic for specific scenarios. However, existing research predominantly focuses on algorithmic performance under ideal or default configurations, overlooking the critical aspect of Tuning Potential. To bridge this gap, we introduce Crucible, an agent that employs an LLM-driven, multi-level expert simulation to turn algorithms and defines a formalized metric to quantitatively evaluate their Tuning Potential. We demonstrate Crucible's effectiveness across a wide spectrum of case studies, from classic control tasks to complex computer systems, and validate its findings in a real-world deployment. Our experimental results reveal that Crucible systematically quantifies the tunable space across different algorithms. Furthermore, Crucible provides a new dimension for algorithm analysis and design, which ultimately leads to performance improvements. Our code is available at https://github.com/thu-media/Crucible.
Flow Matching Neural Processes
Venue: Conference NeurIPS 2025
Year: 2025

Neural processes (NPs) are a class of models that learn stochastic processes directly from data and can be used for inference, sampling and conditional sampling. We introduce a new NP model based on flow matching, a generative modeling paradigm that has demonstrated strong performance on various data modalities. Following the NP training framework, the model provides amortized predictions of conditional distributions over any arbitrary points in the data. Compared to previous NP models, our model is simple to implement and can be used to sample from conditional distributions using an ODE solver, without requiring auxiliary conditioning methods. In addition, the model provides a controllable tradeoff between accuracy and running time via the number of steps in the ODE solver. We show that our model outperforms previous state-of-the-art neural process methods on various benchmarks including synthetic 1D Gaussian processes data, 2D images, and real-world weather data.
Who Speaks for the Trigger? Dynamic Expert Routing in Backdoored Mixture-of-Experts Transformers
Venue: Conference NeurIPS 2025
Year: 2025

Large language models (LLMs) with Mixture-of-Experts (MoE) architectures achieve impressive performance and efficiency by dynamically routing inputs to specialized subnetworks, known as experts. However, this sparse routing mechanism inherently exhibits task preferences due to expert specialization, introducing a new and underexplored vulnerability to backdoor attacks. In this work, we investigate the feasibility and effectiveness of injecting backdoors into MoE-based LLMs by exploiting their inherent expert routing preferences. We thus propose BadSwitch, a novel backdoor framework that integrates task-coupled dynamic trigger optimization with a sensitivity-guided Top-S expert tracing mechanism. Our approach jointly optimizes trigger embeddings during pretraining while identifying S most sensitive experts, subsequently constraining the Top-K gating mechanism to these targeted experts. Unlike traditional backdoor attacks that rely on superficial data poisoning or model editing, BadSwitch primarily embeds malicious triggers into expert routing paths with strong task affinity, enabling precise and stealthy model manipulation. Through comprehensive evaluations across three prominent MoE architectures (Switch Transformer, QwenMoE, and DeepSeekMoE), we demonstrate that BadSwitch can efficiently hijack pre-trained models with up to 100% success rate (ASR) while maintaining the highest clean accuracy (ACC) among all baselines. Furthermore, BadSwitch exhibits strong resilience against both text-level and model-level defense mechanisms, achieving 94.07% ASR and 87.18% ACC on the AGNews dataset. Our analysis of expert activation patterns reveals fundamental insights into MoE vulnerabilities. We anticipate this work will expose security risks in MoE systems and contribute to advancing AI safety.