OpenRaiser/Intern-Atlas huggingface dataset:
Mitigating Reward Over-optimization in Direct Alignment Algorithms with Importance Sampling
Venue: Conference NeurIPS 2025
Year: 2025

Direct Alignment Algorithms (DAAs) such as Direct Preference Optimization (DPO) have emerged as alternatives to the standard Reinforcement Learning from Human Feedback (RLHF) for aligning large language models (LLMs) with human values. However, these methods are more susceptible to over-optimization, in which the model drifts away from the reference policy, leading to degraded performance as training progresses. This paper proposes a novel importance-sampling approach to mitigate the over-optimization problem of offline DAAs. This approach, called (IS-DAAs), multiplies the DAA objective with an importance ratio that accounts for the reference policy distribution. IS-DAAs additionally avoid the high variance issue associated with importance sampling by clipping the importance ratio to a maximum value. Our extensive experiments demonstrate that IS-DAAs can effectively mitigate over-optimization, especially under low regularization strength, and achieve better performance than other methods designed to address this problem. Our implementations are provided publicly at this link.
Conformal Mixed-Integer Constraint Learning with Feasibility Guarantees
Venue: Conference NeurIPS 2025
Year: 2025

We propose Conformal Mixed-Integer Constraint Learning (C-MICL), a novel framework that provides probabilistic feasibility guarantees for data-driven constraints in optimization problems. While standard Mixed-Integer Constraint Learning methods often violate the true constraints due to model error or data limitations, our C-MICL approach leverages conformal prediction to ensure feasible solutions are ground-truth feasible. This guarantee holds with probability at least $1{-}α$, under a conditional independence assumption. The proposed framework supports both regression and classification tasks without requiring access to the true constraint function, while avoiding the scalability issues associated with ensemble-based heuristics. Experiments on real-world applications demonstrate that C-MICL consistently achieves target feasibility rates, maintains competitive objective performance, and significantly reduces computational cost compared to existing methods. Our work bridges mathematical optimization and machine learning, offering a principled approach to incorporate uncertainty-aware constraints into decision-making with rigorous statistical guarantees.
Variance-Dependent Regret Lower Bounds for Contextual Bandits
Venue: Conference NeurIPS 2025
Year: 2025

Variance-dependent regret bounds for linear contextual bandits, which improve upon the classical $\tilde{O}(d\sqrt{K})$ regret bound to $\tilde{O}(d\sqrt{\sum_{k=1}^Kσ_k^2})$, where $d$ is the context dimension, $K$ is the number of rounds, and $σ^2_k$ is the noise variance in round $k$, has been widely studied in recent years. However, most existing works focus on the regret upper bounds instead of lower bounds. To our knowledge, the only lower bound is from Jia et al. (2024), which proved that for any eluder dimension $d_{\textbf{elu}}$ and total variance budget $Λ$, there exists an instance with $\sum_{k=1}^Kσ_k^2\leq Λ$ for which any algorithm incurs a variance-dependent lower bound of $Ω(\sqrt{d_{\textbf{elu}}Λ})$. However, this lower bound has a $\sqrt{d}$ gap with existing upper bounds. Moreover, it only considers a fixed total variance budget $Λ$ and does not apply to a general variance sequence $\{σ_1^2,\ldots,σ_K^2\}$. In this paper, to overcome the limitations of Jia et al. (2024), we consider the general variance sequence under two settings. For a prefixed sequence, where the entire variance sequence is revealed to the learner at the beginning of the learning process, we establish a variance-dependent lower bound of $Ω(d \sqrt{\sum_{k=1}^Kσ_k^2 }/\log K)$ for linear contextual bandits. For an adaptive sequence, where an adversary can generate the variance $σ_k^2$ in each round $k$ based on historical observations, we show that when the adversary must generate $σ_k^2$ before observing the decision set $\mathcal{D}_k$, a similar lower bound of $Ω(d\sqrt{ \sum_{k=1}^Kσ_k^2} /\log^6(dK))$ holds. In both settings, our results match the upper bounds of the SAVE algorithm (Zhao et al., 2023) up to logarithmic factors.
Why Do Some Language Models Fake Alignment While Others Don't?
Venue: Conference NeurIPS 2025
Year: 2025

Alignment faking in large language models presented a demonstration of Claude 3 Opus and Claude 3.5 Sonnet selectively complying with a helpful-only training objective to prevent modification of their behavior outside of training. We expand this analysis to 25 models and find that only 5 (Claude 3 Opus, Claude 3.5 Sonnet, Llama 3 405B, Grok 3, Gemini 2.0 Flash) comply with harmful queries more when they infer they are in training than when they infer they are in deployment. First, we study the motivations of these 5 models. Results from perturbing details of the scenario suggest that only Claude 3 Opus's compliance gap is primarily and consistently motivated by trying to keep its goals. Second, we investigate why many chat models don't fake alignment. Our results suggest this is not entirely due to a lack of capabilities: many base models fake alignment some of the time, and post-training eliminates alignment-faking for some models and amplifies it for others. We investigate 5 hypotheses for how post-training may suppress alignment faking and find that variations in refusal behavior may account for a significant portion of differences in alignment faking.
Failure by Interference: Language Models Make Balanced Parentheses Errors  When Faulty Mechanisms Overshadow Sound Ones
Venue: Conference NeurIPS 2025
Year: 2025

Despite remarkable advances in coding capabilities, language models (LMs) still struggle with simple syntactic tasks such as generating balanced parentheses. In this study, we investigate the underlying mechanisms behind the persistence of these errors across LMs of varying sizes (124M-7B) to both understand and mitigate the errors. Our study reveals that LMs rely on a number of components (attention heads and FF neurons) that independently make their own predictions. While some components reliably promote correct answers across a generalized range of inputs (i.e., implementing "sound mechanisms''), others are less reliable and introduce noise by promoting incorrect tokens (i.e., implementing "faulty mechanisms''). Errors occur when the faulty mechanisms overshadow the sound ones and dominantly affect the predictions. Motivated by this insight, we introduce RASteer, a steering method to systematically identify and increase the contribution of reliable components for improving model performance. RASteer substantially improves performance on balanced parentheses tasks, boosting accuracy of some models from $0$% to around $100$% without impairing the models' general coding ability. We further demonstrate its broader applicability in arithmetic reasoning tasks, achieving performance gains of up to around $20$%.
Mechanistic Interpretability of RNNs emulating Hidden Markov Models
Venue: Conference NeurIPS 2025
Year: 2025

Recurrent neural networks (RNNs) provide a powerful approach in neuroscience to infer latent dynamics in neural populations and to generate hypotheses about the neural computations underlying behavior. However, past work has focused on relatively simple, input-driven, and largely deterministic behaviors - little is known about the mechanisms that would allow RNNs to generate the richer, spontaneous, and potentially stochastic behaviors observed in natural settings. Modeling with Hidden Markov Models (HMMs) has revealed a segmentation of natural behaviors into discrete latent states with stochastic transitions between them, a type of dynamics that may appear at odds with the continuous state spaces implemented by RNNs. Here we first show that RNNs can replicate HMM emission statistics and then reverse-engineer the trained networks to uncover the mechanisms they implement. In the absence of inputs, the activity of trained RNNs collapses towards a single fixed point. When driven by stochastic input, trajectories instead exhibit noise-sustained dynamics along closed orbits. Rotation along these orbits modulates the emission probabilities and is governed by transitions between regions of slow, noise-driven dynamics connected by fast, deterministic transitions. The trained RNNs develop highly structured connectivity, with a small set of "kick neurons" initiating transitions between these regions. This mechanism emerges during training as the network shifts into a regime of stochastic resonance, enabling it to perform probabilistic computations. Analyses across multiple HMM architectures - fully connected, cyclic, and linear-chain - reveal that this solution generalizes through the modular reuse of the same dynamical motif, suggesting a compositional principle by which RNNs can emulate complex discrete latent dynamics.
Fundamental Limitations in Pointwise Defences of LLM Finetuning APIs
Venue: Conference NeurIPS 2025
Year: 2025

LLM developers have imposed technical interventions to prevent fine-tuning misuse attacks, attacks where adversaries evade safeguards by fine-tuning the model using a public API. Previous work has established several successful attacks against specific fine-tuning API defences. In this work, we show that defences of fine-tuning APIs that seek to detect individual harmful training or inference samples ('pointwise' detection) are fundamentally limited in their ability to prevent fine-tuning attacks. We construct 'pointwise-undetectable' attacks that repurpose entropy in benign model outputs (e.g. semantic or syntactic variations) to covertly transmit dangerous knowledge. Our attacks are composed solely of unsuspicious benign samples that can be collected from the model before fine-tuning, meaning training and inference samples are all individually benign and low-perplexity. We test our attacks against the OpenAI fine-tuning API, finding they succeed in eliciting answers to harmful multiple-choice questions, and that they evade an enhanced monitoring system we design that successfully detects other fine-tuning attacks. We encourage the community to develop defences that tackle the fundamental limitations we uncover in pointwise fine-tuning API defences.
Over-squashing in Spatiotemporal Graph Neural Networks
Venue: Conference NeurIPS 2025
Year: 2025

Graph Neural Networks (GNNs) have achieved remarkable success across various domains. However, recent theoretical advances have identified fundamental limitations in their information propagation capabilities, such as over-squashing, where distant nodes fail to effectively exchange information. While extensively studied in static contexts, this issue remains unexplored in Spatiotemporal GNNs (STGNNs), which process sequences associated with graph nodes. Nonetheless, the temporal dimension amplifies this challenge by increasing the information that must be propagated. In this work, we formalize the spatiotemporal over-squashing problem and demonstrate its distinct characteristics compared to the static case. Our analysis reveals that, counterintuitively, convolutional STGNNs favor information propagation from points temporally distant rather than close in time. Moreover, we prove that architectures that follow either time-and-space or time-then-space processing paradigms are equally affected by this phenomenon, providing theoretical justification for computationally efficient implementations. We validate our findings on synthetic and real-world datasets, providing deeper insights into their operational dynamics and principled guidance for more effective designs.
ARC-AGI Without Pretraining
Venue: Conference NeurIPS 2025
Year: 2025

Conventional wisdom in the age of LLMs dictates that solving IQ-test-like visual puzzles from the ARC-AGI-1 benchmark requires capabilities derived from massive pretraining. To counter this, we introduce CompressARC, a 76K parameter model without any pretraining that solves 20% of evaluation puzzles by minimizing the description length (MDL) of the target puzzle purely during inference time. The MDL endows CompressARC with extreme generalization abilities typically unheard of in deep learning. To our knowledge, CompressARC is the only deep learning method for ARC-AGI where training happens only on a single sample: the target inference puzzle itself, with the final solution information removed. Moreover, CompressARC does not train on the pre-provided ARC-AGI "training set". Under these extremely data-limited conditions, we do not ordinarily expect any puzzles to be solvable at all. Yet CompressARC still solves a diverse distribution of creative ARC-AGI puzzles, suggesting MDL to be an alternative feasible way to produce intelligence, besides conventional pretraining.
Diverse Influence Component Analysis: A Geometric Approach to Nonlinear Mixture Identifiability
Venue: Conference NeurIPS 2025
Year: 2025

Latent component identification from unknown nonlinear mixtures is a foundational challenge in machine learning, with applications in tasks such as disentangled representation learning and causal inference. Prior work in nonlinear independent component analysis (nICA) has shown that auxiliary signals -- such as weak supervision -- can support identifiability of conditionally independent latent components. More recent approaches explore structural assumptions, e.g., sparsity in the Jacobian of the mixing function, to relax such requirements. In this work, we introduce Diverse Influence Component Analysis (DICA), a framework that exploits the convex geometry of the mixing function's Jacobian. We propose a Jacobian Volume Maximization (J-VolMax) criterion, which enables latent component identification by encouraging diversity in their influence on the observed variables. Under reasonable conditions, this approach achieves identifiability without relying on auxiliary information, latent component independence, or Jacobian sparsity assumptions. These results extend the scope of identifiability analysis and offer a complementary perspective to existing methods.
Simple and Effective Specialized Representations for Fair Classifiers
Venue: Conference NeurIPS 2025
Year: 2025

Fair classification is a critical challenge that has gained increasing importance due to international regulations and its growing use in high-stakes decision-making settings. Existing methods often rely on adversarial learning or distribution matching across sensitive groups; however, adversarial learning can be unstable, and distribution matching can be computationally intensive. To address these limitations, we propose a novel approach based on the characteristic function distance. Our method ensures that the learned representation contains minimal sensitive information while maintaining high effectiveness for downstream tasks. By utilizing characteristic functions, we achieve a more stable and efficient solution compared to traditional methods. Additionally, we introduce a simple relaxation of the objective function that guarantees fairness in common classification models with no performance degradation. Experimental results on benchmark datasets demonstrate that our approach consistently matches or achieves better fairness and predictive accuracy than existing methods. Moreover, our method maintains robustness and computational efficiency, making it a practical solution for real-world applications.
Variance-Aware Feel-Good Thompson Sampling for Contextual Bandits
Venue: Conference NeurIPS 2025
Year: 2025

Variance-dependent regret bounds have received increasing attention in recent studies on contextual bandits. However, most of these studies are focused on upper confidence bound (UCB)-based bandit algorithms, while sampling based bandit algorithms such as Thompson sampling are still understudied. The only exception is the LinVDTS algorithm (Xu et al., 2023), which is limited to linear reward function and its regret bound is not optimal with respect to the model dimension. In this paper, we present FGTSVA, a variance-aware Thompson Sampling algorithm for contextual bandits with general reward function with optimal regret bound. At the core of our analysis is an extension of the decoupling coefficient, a technique commonly used in the analysis of Feel-good Thompson sampling (FGTS) that reflects the complexity of the model space. With the new decoupling coefficient denoted by $\mathrm{dc}$, FGTS-VA achieves the regret of $\tilde{O}(\sqrt{\mathrm{dc}\cdot\log|\mathcal{F}|\sum_{t=1}^Tσ_t^2}+\mathrm{dc})$, where $|\mathcal{F}|$ is the size of the model space, $T$ is the total number of rounds, and $σ_t^2$ is the subgaussian norm of the noise (e.g., variance when the noise is Gaussian) at round $t$. In the setting of contextual linear bandits, the regret bound of FGTSVA matches that of UCB-based algorithms using weighted linear regression (Zhou and Gu, 2022).
Scaling Laws for Gradient Descent and Sign Descent for Linear Bigram Models under Zipf’s Law
Venue: Conference NeurIPS 2025
Year: 2025

Recent works have highlighted optimization difficulties faced by gradient descent in training the first and last layers of transformer-based language models, which are overcome by optimizers such as Adam. These works suggest that the difficulty is linked to the heavy-tailed distribution of words in text data, where the frequency of the $k$th most frequent word $π_k$ is proportional to $1/k$, following Zipf's law. To better understand the impact of the data distribution on training performance, we study a linear bigram model for next-token prediction when the tokens follow a power law $π_k \propto 1/k^α$ parameterized by the exponent $α> 0$. We derive optimization scaling laws for deterministic gradient descent and sign descent as a proxy for Adam as a function of the exponent $α$. Existing theoretical investigations in scaling laws assume that the eigenvalues of the data decay as a power law with exponent $α> 1$. This assumption effectively makes the problem ``finite dimensional'' as most of the loss comes from a few of the largest eigencomponents. In comparison, we show that the problem is more difficult when the data have heavier tails. The case $α= 1$ as found in text data is ``worst-case'' for gradient descent, in that the number of iterations required to reach a small relative error scales almost linearly with dimension. While the performance of sign descent also depends on the dimension, for Zipf-distributed data the number of iterations scales only with the square-root of the dimension, leading to a large improvement for large vocabularies.
Failure Prediction at Runtime for Generative Robot Policies
Venue: Conference NeurIPS 2025
Year: 2025

Imitation learning (IL) with generative models, such as diffusion and flow matching, has enabled robots to perform complex, long-horizon tasks. However, distribution shifts from unseen environments or compounding action errors can still cause unpredictable and unsafe behavior, leading to task failure. Early failure prediction during runtime is therefore essential for deploying robots in human-centered and safety-critical environments. We propose FIPER, a general framework for Failure Prediction at Runtime for generative IL policies that does not require failure data. FIPER identifies two key indicators of impending failure: (i) out-of-distribution (OOD) observations detected via random network distillation in the policy's embedding space, and (ii) high uncertainty in generated actions measured by a novel action-chunk entropy score. Both failure prediction scores are calibrated using a small set of successful rollouts via conformal prediction. A failure alarm is triggered when both indicators, aggregated over short time windows, exceed their thresholds. We evaluate FIPER across five simulation and real-world environments involving diverse failure modes. Our results demonstrate that FIPER better distinguishes actual failures from benign OOD situations and predicts failures more accurately and earlier than existing methods. We thus consider this work an important step towards more interpretable and safer generative robot policies. Code, data and videos are available at https://tum-lsy.github.io/fiper_website.
Optimal Mistake Bounds for Transductive Online Learning
Venue: Conference NeurIPS 2025
Year: 2025

We resolve a 30-year-old open problem concerning the power of unlabeled data in online learning by tightly quantifying the gap between transductive and standard online learning. In the standard setting, the optimal mistake bound is characterized by the Littlestone dimension $d$ of the concept class $H$ (Littlestone 1987). We prove that in the transductive setting, the mistake bound is at least $Ω(\sqrt{d})$. This constitutes an exponential improvement over previous lower bounds of $Ω(\log\log d)$, $Ω(\sqrt{\log d})$, and $Ω(\log d)$, due respectively to Ben-David, Kushilevitz, and Mansour (1995, 1997) and Hanneke, Moran, and Shafer (2023). We also show that this lower bound is tight: for every $d$, there exists a class of Littlestone dimension $d$ with transductive mistake bound $O(\sqrt{d})$. Our upper bound also improves upon the best known upper bound of $(2/3)d$ from Ben-David, Kushilevitz, and Mansour (1997). These results establish a quadratic gap between transductive and standard online learning, thereby highlighting the benefit of advance access to the unlabeled instance sequence. This contrasts with the PAC setting, where transductive and standard learning exhibit similar sample complexities.
Dynamic Test-Time Compute Scaling in Control Policy: Difficulty-Aware Stochastic Interpolant Policy
Venue: Conference NeurIPS 2025
Year: 2025

Diffusion- and flow-based policies deliver state-of-the-art performance on long-horizon robotic manipulation and imitation learning tasks. However, these controllers employ a fixed inference budget at every control step, regardless of task complexity, leading to computational inefficiency for simple subtasks while potentially underperforming on challenging ones. To address these issues, we introduce Difficulty-Aware Stochastic Interpolant Policy (DA-SIP), a framework that enables robotic controllers to adaptively adjust their integration horizon in real time based on task difficulty. Our approach employs a difficulty classifier that analyzes observations to dynamically select the step budget, the optimal solver variant, and ODE/SDE integration at each control cycle. DA-SIP builds upon the stochastic interpolant formulation to provide a unified framework that unlocks diverse training and inference configurations for diffusion- and flow-based policies. Through comprehensive benchmarks across diverse manipulation tasks, DA-SIP achieves 2.6-4.4x reduction in total computation time while maintaining task success rates comparable to fixed maximum-computation baselines. By implementing adaptive computation within this framework, DA-SIP transforms generative robot controllers into efficient, task-aware systems that intelligently allocate inference resources where they provide the greatest benefit.