ICML 2026 论文列表

Activation sparsity offers a compelling route to accelerate large language model (LLM) inference by selectively suppressing hidden activations, yet existing approaches exhibit severe accuracy degradation at high sparsity. We show that this failure stems from representational instability: *activation sparsity disrupts input-dependent activation learned during pretraining, inducing distribution shifts in hidden states*. We address this issue by reframing activation sparsity as a representational alignment problem and introducing **Spontaneous Neurons (SPON)**, a lightweight mechanism inspired by spontaneous neural activity in biological systems. SPON injects a small set of learnable, input-independent activation vectors that act as persistent representational anchors for sparse computation. These vectors are trained via distribution matching to the dense model and can be absorbed into bias terms after training, incurring negligible inference overhead. Across multiple LLM backbones, SPON consistently restores performance, stabilizes latent representations, and preserves generalization. Our results establish SPON as an effective and principled solution for reliable activation-sparse inference, and offer new insights into knowledge retention in LLMs.

In this work, we propose *Natural Hypergradient Descent* (NHGD), a new method for solving bilevel optimization problems. To address the computational bottleneck in hypergradient estimation, namely the need to compute or approximate Hessian inverses, we exploit the statistical structure of the inner optimization problem and use the empirical Fisher information matrix as an asymptotically consistent surrogate for the Hessian. This design enables a parallel *optimize-and-approximate* framework in which the Hessian-inverse approximation is updated *synchronously* with the stochastic inner optimization, reusing gradient information at negligible additional cost. Our main theoretical contribution establishes high-probability error bounds and sample complexity guarantees for NHGD that match those of state-of-the-art optimize-then-approximate methods, while significantly reducing computational time overhead. Empirical evaluations on representative bilevel learning tasks further demonstrate the practical advantages of NHGD, highlighting its scalability and effectiveness in large-scale machine learning settings.

Bayesian experimental design (BED) is a principled framework for data-efficient design of sequential experiments. However, existing BED methods are unable to adapt to dynamic constraints inherent in real-world tasks due to budget limitations, varying costs, or physical constraints that restrict how designs evolve over time. In this paper, we introduce a novel approach to BED that enables constrained optimization of experimental designs by combining offline pre-training of an amortized policy and a posterior network with online multi-step lookahead planning using scenario trees. We empirically demonstrate that our method yields substantially more informative design sequences than existing methods across a range of constrained BED tasks, while incurring only a modest additional computational overhead.

We study mechanism design for the budget-feasible procurement problem, a natural problem that arises when a buyer wants to procure goods or services from multiple strategic sellers who each have a cost to provide that service, the buyer has a value for each service procured, but is constrained by a budget. In contrast to prior work, which has focused on buyer value maximization for this problem, we solve for optimal and approximately-optimal mechanisms for the objectives of buyer utility (value of procured services minus payments), welfare (value minus production costs), and generalizations of the two. For welfare, we design a simple mechanism that obtains a constant-factor approximation for the prior-free (worst-case) setting. As prior-free mechanisms fail to provide any guarantee for utility, even for a single seller, we consider Bayesian settings, where the buyer has distributional knowledge over sellers' costs. We first provide a utility-optimal mechanism that satisfies the buyer's budget constraint *in expectation*, then we show how to modify the mechanism to satisfy the budget constraint *ex-post*, for every realization of seller costs, while still obtaining near-optimal utility guarantees. Finally, we generalize our mechanisms to other objectives.

Bayesian experimental design (BED) provides a principled framework for optimising data collection by choosing experiments that are maximally informative about unknown parameters. However, existing methods cannot deal with the joint challenge of (a) *partially observable dynamical systems*, where only noisy and incomplete observations are available, and (b) *fully online inference*, which updates posterior distributions and selects designs sequentially in a computationally efficient manner. Under partial observability, dynamical systems are naturally modeled as state-space models (SSMs), in which latent states mediate the link between parameters and data, making the likelihood---and thus information-theoretic objectives like the expected information gain (EIG)---intractable. We address these challenges by deriving new estimators of the EIG and its gradient that explicitly marginalise latent states, enabling scalable stochastic optimisation in nonlinear SSMs. Our approach leverages nested particle filters for efficient online state-parameter inference with convergence guarantees. Applications to realistic models, such as the susceptible–infectious–recovered (SIR) model and a moving source location task, show that our framework successfully handles both partial observability and online inference.

De novo ligand design is a fundamental task that seeks to generate protein or molecule candidates that can effectively dock with protein receptors and achieve strong binding affinity entirely from scratch. It holds paramount significance for a wide spectrum of biomedical applications. However, most existing studies are constrained by the \textbf{Pseudo De Novo}, \textbf{Limited Docking Modeling}, and \textbf{Inflexible Ligand Type}. To address these issues, we propose MagicDock, a forward-looking framework grounded in the progressive pipeline and differentiable surface modeling. (1) We adopt a well-designed gradient inversion framework. To begin with, general docking knowledge of receptors and ligands is incorporated into the backbone model. Subsequently, the docking knowledge is instantiated as reverse gradient flows by binding prediction, which iteratively guide the de novo generation of ligands. (2) We emphasize differentiable surface modeling in the \textit{generation process}, leveraging learnable 3D point-cloud representations to precisely capture docking details, thereby ensuring that the generated ligands preserve docking validity through interpretable spatial fingerprints. (3) We introduce customized designs for different ligand types and integrate them into a unified gradient inversion framework with flexible triggers, thereby ensuring broad applicability. Moreover, we provide sufficient theoretical guarantees for MagicDock. Extensive experiments across 9 scenarios demonstrate that MagicDock achieves average improvements of 7.0\% and 7.4\% over SOTA baselines specialized for protein or molecule ligand design, respectively.

The widespread adoption of large language models (LLMs) has intensified the demand for principled methods to distinguish human- from machine-generated text. Watermarking provides a promising avenue, yet existing detectors exhibit sharp performance deterioration under multiple paraphrasing and when applied to shorter texts. We introduce Pattern Stability Score (PSS), a novel detection framework that leverages local statistical features and stability dynamics across paraphrased variants. Specifically, the proposed method combines global and local z-score features with higher-order statistics of run-length patterns, enriched by autocorrelation signals and stability scores computed over paraphrase depth. Numerical evaluations are performed on three benchmark datasets (PG-19, CNN/DailyMail, and WikiText) using multiple LLMs (Llama-3-8B, Qwen2-7B) and paraphrasers (Mistral-7B, Qwen2-7B, Gemma-7B), systematically stress-testing robustness under up to eight rounds of paraphrasing. Compared to prior z-score thresholding baselines and some state-of-the-art deep learning methods, our approach improves detection AUC (area under the receiver operating characteristic curve) by over 10-15 percentage points across different token lengths. Additionally, extensive cross-domain experiments demonstrate that a single universal classifier generalizes across different LLMs, paraphrasers, and text domains without retraining, maintaining above 83.7\% AUC even when all components differ from training.