OpenRaiser/Intern-Atlas huggingface dataset:
TAI3: Testing Agent Integrity in Interpreting User Intent
Venue: Conference NeurIPS 2025
Year: 2025

LLM agents are increasingly deployed to automate real-world tasks by invoking APIs through natural language instructions. While powerful, they often suffer from misinterpretation of user intent, leading to the agent's actions that diverge from the user's intended goal, especially as external toolkits evolve. Traditional software testing assumes structured inputs and thus falls short in handling the ambiguity of natural language. We introduce TAI3, an API-centric stress testing framework that systematically uncovers intent integrity violations in LLM agents. Unlike prior work focused on fixed benchmarks or adversarial inputs, TAI3 generates realistic tasks based on toolkits' documentation and applies targeted mutations to expose subtle agent errors while preserving user intent. To guide testing, we propose semantic partitioning, which organizes natural language tasks into meaningful categories based on toolkit API parameters and their equivalence classes. Within each partition, seed tasks are mutated and ranked by a lightweight predictor that estimates the likelihood of triggering agent errors. To enhance efficiency, TAI3 maintains a datatype-aware strategy memory that retrieves and adapts effective mutation patterns from past cases. Experiments on 80 toolkit APIs demonstrate that TAI3 effectively uncovers intent integrity violations, significantly outperforming baselines in both error-exposing rate and query efficiency. Moreover, TAI3 generalizes well to stronger target models using smaller LLMs for test generation, and adapts to evolving APIs across domains.
RODS: Robust Optimization Inspired Diffusion Sampling for Detecting and Reducing Hallucination in Generative Models
Venue: Conference NeurIPS 2025
Year: 2025

Diffusion models have achieved state-of-the-art performance in generative modeling, yet their sampling procedures remain vulnerable to hallucinations-often stemming from inaccuracies in score approximation. In this work, we reinterpret diffusion sampling through the lens of optimization and introduce RODS (Robust Optimization-inspired Diffusion Sampler), a novel method that detects and corrects high-risk sampling steps using geometric cues from the loss landscape. RODS enforces smoother sampling trajectories and adaptively adjusts perturbations, reducing hallucinations without retraining and at minimal additional inference cost. Experiments on AFHQv2, FFHQ, and 11k-hands demonstrate that RODS maintains comparable image quality and preserves generation diversity. More importantly, it improves both sampling fidelity and robustness, detecting over 70% of hallucinated samples and correcting more than 25%, all while avoiding the introduction of new artifacts. We release our code at https://github.com/Yiqi-Verna-Tian/RODS.
Complexity Scaling Laws for Neural Models using Combinatorial Optimization
Venue: Conference NeurIPS 2025
Year: 2025

Recent work on neural scaling laws demonstrates that model performance scales predictably with compute budget, model size, and dataset size. In this work, we develop scaling laws based on problem complexity. We analyze two fundamental complexity measures: solution space size and representation space size. Using the Traveling Salesman Problem (TSP) as a case study, we show that combinatorial optimization promotes smooth cost trends, and therefore meaningful scaling laws can be obtained even in the absence of an interpretable loss. We then show that suboptimality grows predictably for fixed-size models when scaling the number of TSP nodes or spatial dimensions, independent of whether the model was trained with reinforcement learning or supervised fine-tuning on a static dataset. We conclude with an analogy to problem complexity scaling in local search, showing that a much simpler gradient descent of the cost landscape produces similar trends.
Latent Zoning Network: A Unified Principle for Generative Modeling, Representation Learning, and Classification
Venue: Conference NeurIPS 2025
Year: 2025

Generative modeling, representation learning, and classification are three core problems in machine learning (ML), yet their state-of-the-art (SoTA) solutions remain largely disjoint. In this paper, we ask: Can a unified principle address all three? Such unification could simplify ML pipelines and foster greater synergy across tasks. We introduce Latent Zoning Network (LZN) as a step toward this goal. At its core, LZN creates a shared Gaussian latent space that encodes information across all tasks. Each data type (e.g., images, text, labels) is equipped with an encoder that maps samples to disjoint latent zones, and a decoder that maps latents back to data. ML tasks are expressed as compositions of these encoders and decoders: for example, label-conditional image generation uses a label encoder and image decoder; image embedding uses an image encoder; classification uses an image encoder and label decoder. We demonstrate the promise of LZN in three increasingly complex scenarios: (1) LZN can enhance existing models (image generation): When combined with the SoTA Rectified Flow model, LZN improves FID on CIFAR10 from 2.76 to 2.59-without modifying the training objective. (2) LZN can solve tasks independently (representation learning): LZN can implement unsupervised representation learning without auxiliary loss functions, outperforming the seminal MoCo and SimCLR methods by 9.3% and 0.2%, respectively, on downstream linear classification on ImageNet. (3) LZN can solve multiple tasks simultaneously (joint generation and classification): With image and label encoders/decoders, LZN performs both tasks jointly by design, improving FID and achieving SoTA classification accuracy on CIFAR10. The code and trained models are available at https://github.com/microsoft/latent-zoning-networks. The project website is at https://zinanlin.me/blogs/latent_zoning_networks.html.
Ctrl-DNA: Controllable Cell-Type-Specific Regulatory DNA Design via Constrained RL
Venue: Conference NeurIPS 2025
Year: 2025

Designing regulatory DNA sequences that achieve precise cell-type-specific gene expression is crucial for advancements in synthetic biology, gene therapy and precision medicine. Although transformer-based language models (LMs) can effectively capture patterns in regulatory DNA, their generative approaches often struggle to produce novel sequences with reliable cell-specific activity. Here, we introduce Ctrl-DNA, a novel constrained reinforcement learning (RL) framework tailored for designing regulatory DNA sequences with controllable cell-type specificity. By formulating regulatory sequence design as a biologically informed constrained optimization problem, we apply RL to autoregressive genomic LMs, enabling the models to iteratively refine sequences that maximize regulatory activity in targeted cell types while constraining off-target effects. Our evaluation on human promoters and enhancers demonstrates that Ctrl-DNA consistently outperforms existing generative and RL-based approaches, generating high-fitness regulatory sequences and achieving state-of-the-art cell-type specificity. Moreover, Ctrl-DNA-generated sequences capture key cell-type-specific transcription factor binding sites (TFBS), short DNA motifs recognized by regulatory proteins that control gene expression, demonstrating the biological plausibility of the generated sequences.
Token Perturbation Guidance for Diffusion Models
Venue: Conference NeurIPS 2025
Year: 2025

Classifier-free guidance (CFG) has become an essential component of modern diffusion models to enhance both generation quality and alignment with input conditions. However, CFG requires specific training procedures and is limited to conditional generation. To address these limitations, we propose Token Perturbation Guidance (TPG), a novel method that applies perturbation matrices directly to intermediate token representations within the diffusion network. TPG employs a norm-preserving shuffling operation to provide effective and stable guidance signals that improve generation quality without architectural changes. As a result, TPG is training-free and agnostic to input conditions, making it readily applicable to both conditional and unconditional generation. We further analyze the guidance term provided by TPG and show that its effect on sampling more closely resembles CFG compared to existing training-free guidance techniques. Extensive experiments on SDXL and Stable Diffusion 2.1 show that TPG achieves nearly a 2$\times$ improvement in FID for unconditional generation over the SDXL baseline, while closely matching CFG in prompt alignment. These results establish TPG as a general, condition-agnostic guidance method that brings CFG-like benefits to a broader class of diffusion models.
KAIROS: Scalable Model-Agnostic Data Valuation
Venue: Conference NeurIPS 2025
Year: 2025

Training data increasingly shapes not only model accuracy but also regulatory compliance and market valuation of AI assets. Yet existing valuation methods remain inadequate: model-based techniques depend on a single fitted model and inherit its biases, while algorithm-based approaches such as Data Shapley require costly retrainings at web scale. Recent Wasserstein-based model-agnostic methods rely on approximations that misrank examples relative to their true leave-one-out (LOO) utility. We introduce KAIROS, a scalable, model-agnostic valuation framework that assigns each example a distributional influence score: its contribution to the Maximum Mean Discrepancy (MMD) between the empirical training distribution and a clean reference set. Unlike Wasserstein surrogates, our MMD-based influence admits a closed-form solution that faithfully approximates the exact LOO ranking within $O(1/N^2)$ error, requires no retraining, and naturally extends to conditional kernels for unified label- and feature-error detection. Moreover, KAIROS supports efficient online updates: when a new batch of size m arrives, all scores can be updated in $O(mN)$ time, delivering up to 50x speedup without compromising ranking quality. Empirical evaluations on noise, mislabeling, and poisoning benchmarks show that KAIROS consistently outperforms state-of-the-art model-, Shapley-, and Wasserstein-based baselines in both accuracy and runtime. We provide rigorous theoretical guarantees, including symmetry for reproducible rankings and density-separation for interpretable thresholds.
On the Universal Near Optimality of Hedge in Combinatorial Settings
Venue: Conference NeurIPS 2025
Year: 2025

In this paper, we study the classical Hedge algorithm in combinatorial settings. In each round, the learner selects a vector $\boldsymbol{x}_t$ from a set $X \subseteq \{0,1\}^d$, observes a full loss vector $\boldsymbol{y}_t \in \mathbb{R}^d$, and incurs a loss $\langle \boldsymbol{x}_t, \boldsymbol{y}_t \rangle \in [-1,1]$. This setting captures several important problems, including extensive-form games, resource allocation, $m$-sets, online multitask learning, and shortest-path problems on directed acyclic graphs (DAGs). It is well known that Hedge achieves a regret of $O\big(\sqrt{T \log |X|}\big)$ after $T$ rounds of interaction. In this paper, we ask whether Hedge is optimal across all combinatorial settings. To that end, we show that for any $X \subseteq \{0,1\}^d$, Hedge is near-optimal--specifically, up to a $\sqrt{\log d}$ factor--by establishing a lower bound of $Ω\big(\sqrt{T \log(|X|)/\log d}\big)$ that holds for any algorithm. We then identify a natural class of combinatorial sets--namely, $m$-sets with $\log d \leq m \leq \sqrt{d}$--for which this lower bound is tight, and for which Hedge is provably suboptimal by a factor of exactly $\sqrt{\log d}$. At the same time, we show that Hedge is optimal for online multitask learning, a generalization of the classical $K$-experts problem. Finally, we leverage the near-optimality of Hedge to establish the existence of a near-optimal regularizer for online shortest-path problems in DAGs--a setting that subsumes a broad range of combinatorial domains. Specifically, we show that the classical Online Mirror Descent (OMD) algorithm, when instantiated with the dilated entropy regularizer, is iterate-equivalent to Hedge, and therefore inherits its near-optimal regret guarantees for DAGs.
Confounding Robust Deep Reinforcement Learning: A Causal Approach
Venue: Conference NeurIPS 2025
Year: 2025

A key task in Artificial Intelligence is learning effective policies for controlling agents in unknown environments to optimize performance measures. Off-policy learning methods, like Q-learning, allow learners to make optimal decisions based on past experiences. This paper studies off-policy learning from biased data in complex and high-dimensional domains where \emph{unobserved confounding} cannot be ruled out a priori. Building on the well-celebrated Deep Q-Network (DQN), we propose a novel deep reinforcement learning algorithm robust to confounding biases in observed data. Specifically, our algorithm attempts to find a safe policy for the worst-case environment compatible with the observations. We apply our method to twelve confounded Atari games, and find that it consistently dominates the standard DQN in all games where the observed input to the behavioral and target policies mismatch and unobserved confounders exist.
Balanced Token Pruning: Accelerating Vision Language Models Beyond Local Optimization
Venue: Conference NeurIPS 2025
Year: 2025

Large Vision-Language Models (LVLMs) have shown impressive performance across multi-modal tasks by encoding images into thousands of tokens. However, the large number of image tokens results in significant computational overhead, and the use of dynamic high-resolution inputs further increases this burden. Previous approaches have attempted to reduce the number of image tokens through token pruning, typically by selecting tokens based on attention scores or image token diversity. Through empirical studies, we observe that existing methods often overlook the joint impact of pruning on both the current layer's output (local) and the outputs of subsequent layers (global), leading to suboptimal pruning decisions. To address this challenge, we propose Balanced Token Pruning (BTP), a plug-and-play method for pruning vision tokens. Specifically, our method utilizes a small calibration set to divide the pruning process into multiple stages. In the early stages, our method emphasizes the impact of pruning on subsequent layers, whereas in the deeper stages, the focus shifts toward preserving the consistency of local outputs. Extensive experiments across various LVLMs demonstrate the broad effectiveness of our approach on multiple benchmarks. Our method achieves a 78% compression rate while preserving 96.7% of the original models' performance on average. Our code is available at https://github.com/EmbodiedCity/NeurIPS2025-Balanced-Token-Pruning.
SpectraLDS: Provable Distillation for Linear Dynamical Systems
Venue: Conference NeurIPS 2025
Year: 2025

We present the first provable method for identifying symmetric linear dynamical systems (LDS) with accuracy guarantees that are independent of the systems' state dimension or effective memory. Our approach builds upon recent work that represents symmetric LDSs as convolutions learnable via fixed spectral transformations. We show how to invert this representation, thereby recovering an LDS model from its spectral transform and yielding an end-to-end convex optimization procedure. This distillation preserves predictive accuracy while enabling constant-time and constant-space inference per token, independent of sequence length. We evaluate our method, SpectraLDS, as a component in sequence prediction architectures and demonstrate that accuracy is preserved while inference efficiency is improved on tasks such as language modeling.
Aha! - Predicting What Matters Next: Online Highlight Detection Without Looking Ahead
Venue: Conference NeurIPS 2025
Year: 2025

Real-time understanding of continuous video streams is essential for intelligent agents operating in high-stakes environments, including autonomous vehicles, surveillance drones, and disaster response robots. Yet, most existing video understanding and highlight detection methods assume access to the entire video during inference, making them unsuitable for online or streaming scenarios. In particular, current models optimize for offline summarization, failing to support step-by-step reasoning needed for real-time decision-making. We introduce Aha, an autoregressive highlight detection framework that predicts the relevance of each video frame against a task described in natural language. Without accessing future video frames, Aha utilizes a multimodal vision-language model and lightweight, decoupled heads trained on a large, curated dataset of human-centric video labels. To enable scalability, we introduce the Dynamic SinkCache mechanism that achieves constant memory usage across infinite-length streams without degrading performance on standard benchmarks. This encourages the hidden representation to capture high-level task objectives, enabling effective frame-level rankings for informativeness, relevance, and uncertainty with respect to the natural language task. Aha achieves state-of-the-art (SOTA) performance on highlight detection benchmarks, surpassing even prior offline, full-context approaches and video-language models by +5.9% on TVSum and +8.3% on Mr. Hisum in mAP (mean Average Precision). We explore Aha's potential for real-world robotics applications given a task-oriented natural language input and a continuous, robot-centric video. Both experiments demonstrate Aha's potential effectiveness as a real-time reasoning module for downstream planning and long-horizon understanding.
SolverLLM: Leveraging Test-Time Scaling for Optimization Problem via LLM-Guided Search
Venue: Conference NeurIPS 2025
Year: 2025

Large Language Models (LLMs) offer promising capabilities for tackling complex reasoning tasks, including optimization problems. However, existing methods either rely on prompt engineering, which leads to poor generalization across problem types, or require costly supervised training. We introduce SolverLLM, a training-free framework that leverages test-time scaling to solve diverse optimization problems. Rather than solving directly, SolverLLM generates mathematical formulations and translates them into solver-ready code, guided by a novel Monte Carlo Tree Search (MCTS) strategy. To enhance the search process, we modify classical MCTS with (1) dynamic expansion for adaptive formulation generation, (2) prompt backpropagation to guide exploration via outcome-driven feedback, and (3) uncertainty backpropagation to incorporate reward reliability into decision-making. Experiments on six standard benchmark datasets demonstrate that SolverLLM outperforms both prompt-based and learning-based baselines, achieving strong generalization without additional training.
Fast and Fluent Diffusion Language Models via Convolutional Decoding and Rejective Fine-tuning
Venue: Conference NeurIPS 2025
Year: 2025

Autoregressive (AR) language models generate text one token at a time, which limits their inference speed. Diffusion-based language models offer a promising alternative, as they can decode multiple tokens in parallel. However, we identify a key bottleneck in current diffusion LMs: the long decoding-window problem, where tokens generated far from the input context often become irrelevant or repetitive. Previous solutions like semi-autoregressive address this issue by splitting windows into blocks (sacrificing bidirectionality), but we find that this also leads to time-interval expansion problem, sacrificing the speed. Therefore, semi-AR eliminates the main advantages of diffusion models. To overcome this, we propose Convolutional decoding (Conv), a normalization-based method that narrows the decoding window without hard segmentation, leading to better fluency and flexibility. Additionally, we introduce Rejecting Rule-based Fine-Tuning (R2FT), a post-hoc training scheme that better aligns tokens at positions far from context. Our methods achieve state-of-the-art results on open-ended generation benchmarks (e.g., AlpacaEval) among diffusion LM baselines, with significantly lower step size than previous works, demonstrating both speed and quality improvements.
Breaking the Frozen Subspace: Importance Sampling for Low-Rank Optimization in LLM Pretraining
Venue: Conference NeurIPS 2025
Year: 2025

Low-rank optimization has emerged as a promising approach to enabling memory-efficient training of large language models (LLMs). Existing low-rank optimization methods typically project gradients onto a low-rank subspace, reducing the memory cost of storing optimizer states. A key challenge in these methods is selecting suitable subspaces to ensure an effective optimization trajectory. Most existing approaches select the dominant subspace to preserve gradient information, as this intuitively provides the best approximation. However, we find that in practice, the dominant subspace stops changing during pretraining, thereby constraining weight updates to similar subspaces. In this paper, we propose importance sampling for low-rank optimization in LLM pretraining with a provable convergence guarantee, which the dominant subspace approach does not have. Empirically, we demonstrate that our method significantly outperforms previous methods in LLM pretraining tasks.
Understanding the Evolution of the Neural Tangent Kernel at the Edge of Stability
Venue: Conference NeurIPS 2025
Year: 2025

The study of Neural Tangent Kernels (NTKs) in deep learning has drawn increasing attention in recent years. NTKs typically actively change during training and are related to feature learning. In parallel, recent work on Gradient Descent (GD) has found a phenomenon called Edge of Stability (EoS), in which the largest eigenvalue of the NTK oscillates around a value inversely proportional to the step size. However, although follow-up works have explored the underlying mechanism of such eigenvalue behavior in depth, the understanding of the behavior of the NTK eigenvectors during EoS is still missing. This paper examines the dynamics of NTK eigenvectors during EoS in detail. Across different architectures, we observe that larger learning rates cause the leading eigenvectors of the final NTK, as well as the full NTK matrix, to have greater alignment with the training target. We then study the underlying mechanism of this phenomenon and provide a theoretical analysis for a two-layer linear network. Our study enhances the understanding of GD training dynamics in deep learning.