ICLR 2026 Papers

With the increased deployment of large language models (LLMs), one concern is their potential misuse for generating harmful content. Our work studies the alignment challenge, with a focus on filters to prevent the generation of unsafe information. Two natural points of intervention are the filtering of the input prompt before it reaches the model, and filtering the output after generation. Our main results demonstrate computational challenges in filtering both prompts and outputs. First, we show that there exist LLMs for which there are no efficient input-prompt filters: adversarial prompts that elicit harmful behavior can be easily constructed, which are computationally indistinguishable from benign prompts for any efficient filter. Our second main result identifies a natural setting in which output filtering is computationally intractable. All of our separation results are under cryptographic hardness assumptions. In addition to these core findings, we also formalize and study relaxed mitigation approaches, demonstrating further computational barriers. We conclude that safety cannot be achieved by designing filters external to the LLM internals (architecture and weights); in particular, black-box access to the LLM will not suffice. Based on our technical results, we argue that an aligned AI system’s intelligence cannot be separated from its judgment.

Fine-tuning large pretrained language models is a common approach for aligning them with human preferences, but noisy or off-target examples can dilute supervision. While small, well-chosen datasets often match the performance of much larger ones, systematic and efficient ways to identify high-value training data remain underexplored. Many current methods rely on heuristics or expensive retraining. We present a theoretically grounded, resource-efficient framework for data selection and reweighting. At its core is an In-Context Approximation (ICA) that estimates the holdout loss a model would incur after training on a candidate example by conditioning on a small, curated holdout set in context. ICA requires no reference model and no additional finetuning. Under a local linearization, ICA is equivalent to a first-order update toward the holdout optimum, motivating its use as a proxy for data value. We derive per-example weights from ICA scores, dynamically reweighting gradient updates as model parameters evolve. Across SFT, DPO, and SimPO, and over diverse backbones and datasets, ICA-based reweighting consistently improves model alignment with minimal overhead. We analyze sensitivity to score update frequency and the choice of $k$ holdout examples for in-context demonstrations, and note limitations for rapidly drifting on-policy updates, highlighting directions for future work. Code and prompts will be released.

Large Language Models (LLMs) have achieved remarkable success in various NLP tasks, but their enormous memory footprints pose significant challenges for deployment on consumer-grade GPUs. Prior solutions, such as PowerInfer, combine offloading and sparse activation to reduce memory and computational overhead, but suffer from static neuron partitioning, leading to suboptimal GPU utilization and increased latency. In this work, we present DynamicInfer, a runtime neuron offloading framework that dynamically adapts neuron scheduling based on input-dependent activation patterns. DynamicInfer introduces (1) a hierarchical neural caching strategies, (2) a load-aware neuron activation mechanism tailored to heterogeneous hardware, and (3) an activation-aware prefetching pipeline that overlaps data transfer with computation. Extensive experiments on ReluLLaMA and Prosparse models across multiple hardware platforms demonstrate that DynamicInfer achieves up to 253\% speedup over llama.cpp and 59\% over PowerInfer, while retaining model accuracy. Our approach offers a practical and scalable solution for high-performance LLM inference on resource-constrained devices.

Diffusion models have shown remarkable performance in image synthesis by progressively estimating a smooth transition from a Gaussian distribution of noise to a real image. Unfortunately, their practical deployment is limited by slow inference speed, high memory usage, and the computational demands of the noise estimation process. Post-training quantization (PTQ) emerges as a promising solution to accelerate sampling and reduce the memory overhead of diffusion models. Existing PTQ methods for diffusion models typically apply uniform weights to calibration samples across timesteps, which is sub-optimal since data at different timesteps may contribute differently to the diffusion process. Additionally, due to varying activation distributions and gradients across timesteps, a uniform quantization approach is sub-optimal. Each timestep requires a different gradient direction for optimal quantization, and treating them equally can lead to conflicting gradients that degrade performance. In this paper, we propose a novel PTQ method that addresses these challenges by assigning appropriate weights to calibration samples. Specifically, our approach learns to assign optimal weights to calibration samples to align the quantized model’s gradients across timesteps, facilitating the quantization process. Extensive experiments on CIFAR-10, LSUN-Bedrooms, and ImageNet datasets demonstrate the superiority of our method compared to other PTQ methods for diffusion models.

AlphaFold has transformed protein structure prediction, but emerging applications such as virtual ligand screening, proteome-wide folding, and de novo binder design demand predictions at a massive scale, where runtime and memory costs become prohibitive. A major bottleneck lies in the Pairformer backbone of AlphaFold3-style models, which relies on computationally expensive triangular primitives—especially triangle attention—for pairwise reasoning. We introduce Pairmixer, a streamlined alternative that eliminates triangle attention while preserving higher-order geometric reasoning capabilities that are critical for structure prediction. Pairmixer substantially improves computational efficiency, matching state-of-the-art structure predictors across folding and docking benchmarks, delivering up to 4x faster inference on long sequences while reducing training cost by 34%. Its efficiency alleviates the computational burden of downstream applications such as modeling large protein complexes, high-throughput ligand and binder screening, and hallucination-based design. Within BoltzDesign, for example, Pairmixer delivers over 2x faster sampling and scales to sequences 30% longer than the memory limits of Pairformer. Code is available at https://github.com/genesistherapeutics/pairmixer.

Robotics is undergoing a significant transformation powered by advances in high-level control techniques based on machine learning, giving rise to the field of robot learning. Recent progress in robot learning has been accelerated by the increasing availability of affordable teleoperation systems, large-scale openly available datasets, and scalable learning-based methods. However, development in the field of robot learning is often slowed by fragmented, closed-source tools designed to only address specific sub-components within the robotics stack. In this paper, we present lerobot, an open-source library that integrates across the entire robotics stack, from low-level middleware communication for motor controls to large-scale dataset collection, storage and streaming. The library is designed with a strong focus on real-world robotics, supporting accessible hardware platforms while remaining extensible to new embodiments. It also supports efficient implementations for various state-of-the-art robot learning algorithms from multiple prominent paradigms, as well as a generalized asynchronous inference stack. Unlike traditional pipelines which heavily rely on hand-crafted techniques, lerobot emphasizes scalable learning approaches that improve directly with more data and compute. Designed for accessibility, scalability, and openness, lerobot lowers the barrier to entry for researchers and practitioners to robotics while providing a platform for reproducible, state-of-the-art robot learning.

Deep neural networks trained on nonstationary data must balance stability (i.e., retaining prior knowledge) and plasticity (i.e., adapting to new tasks). Standard reinitialization methods, which reinitialize weights toward their original values, are widely used but difficult to tune: conservative reinitializations fail to restore plasticity, while aggressive ones erase useful knowledge. We propose FIRE, a principled reinitialization method that explicitly balances the stability–plasticity tradeoff. FIRE quantifies stability through Squared Frobenius Error (SFE), measuring proximity to past weights, and plasticity through Deviation from Isometry (DfI), reflecting weight isotropy. The reinitialization point is obtained by solving a constrained optimization problem, minimizing SFE subject to DfI being zero, which is efficiently approximated by Newton–Schulz iteration. FIRE is evaluated on continual visual learning (CIFAR-10 with ResNet-18), language modeling (OpenWebText with GPT-0.1B), and reinforcement learning (HumanoidBench with SAC and Atari games with DQN). Across all domains, FIRE consistently outperforms both naive training without intervention and standard reinitialization methods, demonstrating effective balancing of the stability–plasticity tradeoff.

Scientific and environmental imagery are often degraded by multiple compounding factors related to sensor noise and environmental effects. Existing restoration methods typically treat these mixed effects by iteratively removing fixed categories, lacking the compositionality needed to handle real-world mixtures and often introducing cascading artifacts, overcorrection, or signal loss. Moreover, many supervised approaches rely on paired ground-truth data, which may be unavailable or impossible to simulate for real-world degradations. We present PRISM (Precision Restoration with Interpretable Separation of Mixtures), a prompted conditional diffusion framework for expert-guided restoration under compound degradations. PRISM combines (1) compound-aware supervision on mixtures of distortions and (2) a weighted contrastive disentanglement objective that aligns compound distortions with their constituent primitives to enable high-fidelity joint restoration. Our compositional latent space supports both prompt-guided and automated restoration in novel settings by generalizing to unseen combinations of degradations. We outperform image restoration baselines on unseen complex real-world degradations, including underwater visibility, under-display camera effects, and fluid distortions. PRISM also enables selective restoration. Across microscopy, wildlife monitoring, and urban weather datasets, our method enhances downstream analysis by letting experts remove only degradations that hinder analysis, avoiding black-box "over-restoration." Together, these results establish PRISM as a generalizable and controllable framework for high-fidelity restoration in domains where scientific utility is a priority.

We study the problem of federated clustering when the total number of clusters $K$ across clients is unknown, and the clients have heterogeneous but potentially overlapping cluster sets in their local data. To that end, we develop FedGEM: a federated generalized expectation-maximization algorithm for the training of mixture models with an unknown number of components. Our proposed algorithm relies on each of the clients performing EM steps locally, and constructing an uncertainty set around the maximizer associated with each local component. The central server utilizes the uncertainty sets to learn potential cluster overlaps between clients, and infer the global number of clusters via closed-form computations. We perform a thorough theoretical study of our algorithm, presenting probabilistic convergence guarantees under common assumptions. Subsequently, we study the specific setting of isotropic GMMs, providing tractable, low-complexity computations to be performed by each client during each iteration of the algorithm, as well as rigorously verifying assumptions required for algorithm convergence. We perform various numerical experiments, where we empirically demonstrate that our proposed method achieves comparable performance to centralized EM, and that it outperforms various existing federated clustering methods.

Reinforcement learning (RL) research requires diverse, challenging environments that are both tractable and scalable. While modern video games may offer rich dynamics, they are computationally expensive and poorly suited for large-scale experimentation due to their CPU-bound execution. We introduce Octax, a high-performance suite of classic arcade game environments implemented in JAX, based on CHIP-8 emulation, a predecessor to Atari, which is widely adopted as a benchmark in RL research. Octax provides the JAX community with a long-awaited end-to-end GPU alternative to Atari games, offering image-based environments, spanning puzzle, action, and strategy genres, all executable at massive scale on modern GPUs. Our JAX-based implementation achieves orders-of-magnitude speedups over traditional CPU emulators. We demonstrate Octax's capabilities by training RL agents across multiple games, showing significant improvements in training speed and scalability compared to existing solutions. The environment's modular design enables researchers to easily extend the suite with new games or generate novel environments using large language models, making it an ideal platform for large-scale RL experimentation.

Distribution shift poses a significant challenge in machine learning, particularly in biomedical applications using data collected across different subjects, institutions, and recording devices, such as sleep data. While existing normalization layers, BatchNorm, LayerNorm and InstanceNorm, help mitigate distribution shifts, when applied over the time dimension they ignore the dependencies and auto-correlation inherent to the vector coefficients they normalize. In this paper, we propose PSDNorm that leverages Monge mapping and temporal context to normalize feature maps in deep learning models for signals. Evaluations with architectures based on U-Net or transformer backbones trained on 10K subjects across 10 datasets, show that PSDNorm achieves state-of-the-art performance on unseen left-out datasets while being 4-times more data-efficient than BatchNorm.

Reinforcement learning has emerged as a popular method for post-training large language models (LLMs). While improving the model's performance on downstream tasks, it often reduces the model's output diversity, leading to narrow, canonical responses. Existing methods to enhance diversity are limited, either by operating at inference time or by focusing on lexical differences. We propose a novel training method named DQO (Diversity Quality Optimization) based on determinantal point processes (DPPs) to jointly optimize LLMs for quality and semantic diversity. Our approach samples and embeds a group of responses for each prompt, then uses the determinant of a kernel-based similarity matrix to measure diversity as the volume spanned by the embeddings of these responses. Experiments across instruction-following, summarization, story generation, and reasoning tasks demonstrate that our method substantially improves semantic diversity without sacrificing model quality.

Event-based vision encodes dynamic scenes as asynchronous spatio-temporal spikes called events. To leverage conventional image processing pipelines, events are typically binned into frames. However, binning functions are discontinuous, which truncates gradients at the frame level and forces most event-based algorithms to rely solely on frame-based features. Attempts to directly learn from raw events avoid this restriction but instead suffer from biased gradient estimation due to the discontinuities of the binning operation, ultimately limiting their learning efficiency. To address this challenge, we propose a novel framework for unbiased gradient estimation of arbitrary binning functions by synthesizing weak derivatives during backpropagation while keeping the forward output unchanged. The key idea is to exploit integration by parts: lifting the target functions to functionals yields an integral form of the derivative of the binning function during backpropagation, where the cotangent function naturally arises. By reconstructing this cotangent function from the sampled cotangent vector, we compute weak derivatives that provably match long-range finite differences of both smooth and non-smooth targets. Experimentally, our method improves simple optimization-based egomotion estimation with 3.2\% lower RMS error and 1.57$\times$ faster convergence. On complex downstream tasks, we achieve 9.4\% lower EPE in self-supervised optical flow, and 5.1\% lower RMS error in SLAM, demonstrating broad benefits for event-based visual perception.

Prompt-based methods have recently gained prominence in Continual Learning (CL) due to their strong performance and memory efficiency. A prevalent strategy in this paradigm assigns a dedicated subset of prompts to each task, which, while effective, incurs substantial computational overhead and causes memory requirements to scale linearly with the number of tasks. Conversely, approaches employing a single shared prompt across tasks offer greater efficiency but often suffer from degraded performance due to knowledge interference. To reconcile this trade-off, we propose **SMoPE**, a novel framework that integrates the benefits of both task-specific and shared prompt strategies. Inspired by recent findings on the relationship between Prefix Tuning and Mixture of Experts (MoE), SMoPE organizes a shared prompt into multiple "prompt experts" within a sparse MoE architecture. For each input, only a select subset of relevant experts is activated, effectively mitigating interference. To facilitate expert selection, we introduce a prompt-attention score aggregation mechanism that computes a unified proxy score for each expert, enabling dynamic and sparse activation. Additionally, we propose an adaptive noise mechanism to encourage balanced expert utilization while preserving knowledge from prior tasks. To further enhance expert specialization, we design a prototype-based loss function that leverages prefix keys as implicit memory representations. Extensive experiments across multiple CL benchmarks demonstrate that SMoPE consistently outperforms task-specific prompt methods and achieves performance competitive with state-of-the-art approaches, all while significantly reducing parameter counts and computational costs.

Generative Pre-trained Transformer (GPT) architectures are the most popular design for language modeling. Energy-based modeling is a different paradigm that views inference as a dynamical process operating on an energy landscape. We propose a minimal modification of the GPT setting to unify it with the EBM framework. The inference step of our model, which we call eNeRgy-GPT (NRGPT), is conceptualized as an exploration of the tokens on the energy landscape. We prove, and verify empirically, that under certain circumstances this exploration becomes gradient descent, although they don’t necessarily lead to the best performing models. We demonstrate that our model performs well for simple language (Shakespeare dataset), algebraic ListOPS tasks, and richer settings such as OpenWebText language modeling. We also observe that our models may be more resistant to overfitting, doing so only during very long training.

While large language models (LLMs) demonstrate impressive performance across various tasks, their deployment in real-world scenarios is still constrained by high computational demands. Layer-wise pruning, a commonly employed strategy to mitigate inference costs, can partially address this challenge. However, existing approaches generally depend on static heuristic rules and fail to account for the interdependencies among layers, thereby limiting the effectiveness of the pruning process. To this end, this paper proposes a game-theoretic framework that formulates layer pruning as a cooperative game in which each layer acts as a player and model performance serves as the utility. As computing exact Shapley values is computationally infeasible for large language models (LLMs), we propose using a lightweight surrogate network to estimate layer-wise marginal contributions. This network can predict LLM performance for arbitrary layer combinations at a low computational cost. Additionally, we employ stratified Monte Carlo mask sampling to further reduce the cost of Sharpley value estimation. This approach captures inter-layer dependencies and dynamically identifies critical layers for pruning. Extensive experiments demonstrate the consistent superiority of our method in terms of perplexity and zero-shot accuracy, achieving more efficient and effective layer-wise pruning for large language models.

With the growing demand for high-quality image generation on resource-constrained devices, efficient diffusion models have received increasing attention. However, such models suffer from approximation errors introduced by efficiency techniques, which significantly degrade generation quality. Once deployed, these errors are difficult to correct, as modifying the model is typically infeasible in deployment environments. Through an analysis of error propagation across diffusion timesteps, we reveal that these approximation errors can accumulate exponentially, severely impairing output quality. Motivated by this insight, we propose Iterative Error Correction (IEC), a novel test-time method that mitigates inference-time errors by iteratively refining the model’s output. IEC is theoretically proven to reduce error propagation from exponential to linear growth, without requiring any retraining or architectural changes. IEC can seamlessly integrate into the inference process of existing diffusion models, enabling a flexible trade-off between performance and efficiency. Extensive experiments show that IEC consistently improves generation quality across various datasets, efficiency techniques, and model architectures, establishing it as a practical and generalizable solution for test-time enhancement of efficient diffusion models. The code is available at https://github.com/zysxmu/IEC.

When and how can an attention mechanism learn to selectively attend to informative tokens, thereby enabling detection of weak, rare, and sparsely located features? We address these questions theoretically in a sparse-token classification model in which positive samples embed a weak signal vector in a randomly chosen subset of tokens, whereas negative samples are pure noise. For a simple single-layer attention classifier, we show that in the long-sequence limit it can, in principle, achieve vanishing test error when the signal strength grows only logarithmically in the sequence length $L$, whereas linear classifiers require $\sqrt{L}$ scaling. Moving from representational power to learnability, we study training at finite $L$ in a high-dimensional regime, where sample size and embedding dimension grow proportionally. We prove that just two gradient updates suffice for the query weight vector of the attention classifier to acquire a nontrivial alignment with the hidden signal, inducing an attention map that selectively amplifies informative tokens. We further derive an exact asymptotic expression for the test error of the trained attention-based classifier, and quantify its capacity---the largest dataset size that is typically perfectly separable---thereby explaining the advantage of adaptive token selection over nonadaptive linear baselines.

Recently, the robotics community has amassed ever larger and more diverse datasets to train generalist policies. However, while these policies achieve strong mean performance across a variety of tasks, they often underperform on individual, specialized tasks and require further tuning on newly acquired task-specific data. Combining task-specific data with carefully curated subsets of large prior datasets via co-training can produce better specialized policies, but selecting data naively may actually harm downstream performance. To address this, we introduce DataMIL, a data selection framework built on the datamodels paradigm that reasons about data selection in an end-to-end manner, using the policy itself to identify which data points will most improve performance. Unlike standard practices that filter data using human notions of quality (e.g., based on semantic or visual similarity), DataMIL directly optimizes data selection for task success, allowing us to select data that improves the policy while dropping data that degrade it. To avoid performing expensive rollouts in the environment during selection, we introduce a surrogate loss function on task-specific data, allowing us to use DataMIL in the real world without degrading performance. We validate our approach on 60+ simulation and real-world manipulation tasks, notably showing successful data selection from the largest open collections of robot datasets (OXE); demonstrating consistent gains in success rates over prior works. Our results underscore the importance of end-to-end, performance-aware data selection for unlocking the potential of large prior datasets in robotics.