ICML 2026 Papers

Text-to-SQL has recently achieved impressive progress, yet remains difficult to apply effectively in real-world scenarios. This gap stems from the reliance on single static workflows, fundamentally limiting scalability to out-of-distribution and long-tail scenarios. Instead of requiring users to select suitable methods through extensive experimentation, we attempt to enable systems to adaptively construct workflows at inference time. Through rigorous theoretical and empirical analysis, we demonstrate that optimal dynamic policies consistently outperform the best static workflow, with performance gains fundamentally driven by heterogeneity across candidate workflows. Motivated by this, we propose SquRL, a reinforcement learning framework that enhances LLMs' reasoning capability in adaptive workflow construction. We design a rule-based reward function and introduce two effective training mechanisms: dynamic actor masking to encourage broader exploration, and pseudo rewards to improve training efficiency. Experiments on widely-used Text-to-SQL benchmarks demonstrate that dynamic workflow construction consistently outperforms the best static workflow methods, with especially pronounced gains on complex and out-of-distribution queries.

The exponential growth in the parameter scale of Large Language Models (LLMs) has precipitated an urgent demand for efficient compression techniques to facilitate practical deployment. To address this challenge, low-rank decomposition based on Singular Value Decomposition (SVD) offers a principled, hardware-friendly pathway for compressing LLMs without retraining. However, existing training-free approaches predominantly rely on uniform rank allocation, implicitly assuming homogeneous redundancy across the model depth and thereby neglecting the inherent non-uniformity of representational evolution. To bridge this gap, we introduce CGSVD, a Cascaded Granular Singular Value Decomposition framework that leverages a dual-level non-uniform allocation strategy to maximize semantic preservation. Specifically, we quantify inter-layer significance via angular distance and assess intra-layer compressibility through spectral entropy, enabling precise identification of critical architectural components. Furthermore, we propose an Iterative Residual Filling (IRF) mechanism to bridge the parameter gap caused by integer-rank truncation and ensure strict adherence to global compression targets. Extensive experiments on representative LLM families ranging from 3B to 13B parameters verify the superiority of our approach. Notably, under a 30\% compression ratio on the LLaMA3.1-8B model, CGSVD achieves a remarkable average zero-shot accuracy boost of 6.08% and reduces perplexity by 15.46 compared to the baseline. We release the [code](https://github.com/ironartisan/CGSVD) to facilitate future research.

Latent Chain-of-Thought (CoT) internalizes reasoning within continuous hidden states, offering a promising alternative to verbose discrete reasoning traces. However, robust latent reasoning remains difficult because outcome supervision provides weak learning signals and leaves latent trajectories prone to semantic drift. In this work, we analyze Latent CoT from an information-theoretic perspective and identify this failure as a dual collapse: gradient attenuation along the optimization path and representational drift in the latent space. We further decompose process supervision into two complementary dimensions: Trajectory Supervision, which injects dense stepwise reasoning signals, and Space Supervision, which preserves the semantic structure of the latent manifold. Our analysis shows that rigid geometric compression can collapse the reasoning space, whereas generative reconstruction provides a more flexible semantic anchor that better preserves information capacity. To measure these effects, we introduce the Unified Latent Probe (ULP), which quantifies the mutual information between latent trajectories and explicit reasoning steps. Experiments reveal a clear Information–Performance Binding: reasoning accuracy depends on the information fidelity preserved in the latent chain. These findings provide a principled framework for latent reasoning supervision and suggest shifting from geometric imitation toward mutual information maximization. Our code will be released at: \url{https://github.com/EIT-NLP/Supervision-in-Latent-CoT}.

Training autonomous web agents is fundamentally limited by the environments they learn from: real-world websites are unsafe to explore, hard to reset, and rarely provide verifiable feedback. We propose VeriEnv, a framework that treats language models as environment creators, automatically cloning real-world websites into fully executable, verifiable synthetic environments. By exposing controlled internal access via a Python SDK, VeriEnv enables agents to self-generate tasks with deterministic, programmatically verifiable rewards, eliminating reliance on heuristic or LLM-based judges. This design decouples agent learning from unsafe real-world interaction while enabling scalable self-evolution through environment expansion. Through experiments on web agent benchmarks, we show that agents trained with VeriEnv generalize to unseen websites, achieve site-specific mastery through self-evolving training, and benefit from scaling the number of training environments.

Diffusion models can unintentionally memorize training samples, raising concerns about privacy and copyright. While recent methods can detect memorization, they often rely on global or model-specific signals and provide limited insight into where memorization appears within a generated image. We provide a geometric characterization of local memorization as a coordinate-wise variance collapse. However, such collapse can also arise from intrinsic data constraints rather than overfitting. To isolate overfitting-driven memorization, we propose curvature-difference methods that subtract the curvature of an underfitted baseline, either the unconditional model or a less-trained version of itself. We further derive a score-difference proxy that provides a geometric explanation for the widely used score-difference-based detection metric. Experiments on Stable Diffusion, evaluated against ground-truth memorization masks, show that our method outperforms the prior attention-based localization method. Code is available at \url{https://github.com/Gwangho99/mem-curv-diff}.

Operator splitting methods are at the foundation of many numerical solvers for partial differential equations. In parallel, unrolled and hybrid learning-based architectures have been introduced to enhance classical solvers, but their design is rarely linked to the underlying problem structure. In this work, we propose a unifying framework that explicitly links operator splitting algorithms from optimization with unrolled hybrid architectures. We show that each operator splitting scheme naturally defines an unrolled architecture, which recovers a wide range of existing plug-and-play and hybrid models as special cases. Using this framework, we design new unrolled hybrid architectures and validate them on benchmark fluid dynamics simulations, where they achieve improved accuracy and stability.

Large language models (LLMs) have shown promise in assisting cybersecurity tasks, yet existing approaches struggle with automatic vulnerability discovery and exploitation due to limited interaction, weak execution grounding, and a lack of experience reuse. We propose Co-RedTeam, a security-aware multi-agent framework designed to mirror real-world red-teaming workflows by integrating security-domain knowledge, code-aware analysis, execution-grounded iterative reasoning, and long-term memory. Co-RedTeam decomposes vulnerability analysis into coordinated discovery and exploitation stages, enabling agents to plan, execute, validate, and refine actions based on real execution feedback while learning from prior trajectories. Extensive evaluations on challenging security benchmarks demonstrate that Co-RedTeam consistently outperforms strong baselines across diverse backbone models, achieving over 60\% success rate in vulnerability exploitation and over 10\% absolute improvement in vulnerability detection. Ablation and iteration studies further confirm the critical role of execution feedback, structured interaction, and memory for building robust and generalizable cybersecurity agents.

Reinforcement Learning from Human Feedback (RLHF) is a pivotal technique for aligning large language models (LLMs) with human preferences, yet it is susceptible to reward overoptimization, in which policy models overfit to the reward model, exploit spurious reward patterns instead of faithfully capturing human intent. Prior mitigations primarily relies on surface semantic information and fails to efficiently address the misalignment between the reward model (RM) and the policy model caused by continuous policy distribution shifts. This inevitably leads to an increasing reward discrepancy, exacerbating reward overoptimization. To address these limitations, we introduce R2M (Real-Time Aligned Reward Model), a novel lightweight RLHF framework. R2M goes beyond vanilla reward models that solely depend on the semantic representations of a pretrained LLM. Instead, it leverages the evolving hidden states of the policy (namely policy feedback) to align with the real-time distribution shift of the policy during the RL process. This work points to a promising new direction for improving the performance of reward models through real-time utilization of feedback from policy models.

Despite the remarkable progress of Large Language Model (LLM) based Multi-Agent Systems, most research focuses on optimizing coordination topology while largely underexploring the equally critical problem: how to transmit and optimize messages among agents effectively? Current communication schemes typically rely on the direct concatenation of first-order neighbor responses, which induces a restricted evidence receptive field and leads to the dilution of crucial insights over multi-hop paths. To address these limitations, we propose the Multi-Order Communication (MOC) scheme, which reconstructs the inter-agent communication to capture multi-hop dependencies and incorporates a structural message consolidation strategy to ensure efficiency. Specifically, we formalize the communication mechanism to construct a structured multi-order evidence stream, and subsequently design a Semantic-Topological Merging algorithm to optimize semantic fidelity within token constraints. Extensive experiments across six diverse datasets and LLM backbones of varying parameter scales demonstrate that MOC consistently improves task performance and reduces communication costs.

Although Multimodal Large Language Models (MLLMs) have made remarkable progress, they still struggle with long-video understanding due to the massive memory footprint of KV Caches. Existing methods often resort to disjoint retrieval or attention-based reduction with a uniform layer-wise budget to achieve compression. However, these methods disrupt temporal continuity and ignore the varying information density across network layers. In this work, we reveal that memory allocation should mirror layer-wise semantic density, rather than adhering to a uniform budget. To this end, we introduce EAKV, a training-free entropy-driven adaptive KV compression framework that leverages attention entropy to adaptively allocate compression budgets, selectively preserving critical tokens while distilling redundant contexts into compact contextual anchors, thereby achieving granular memory allocation proportional to semantic density. Extensive experiments on various benchmarks demonstrate that EAKV surpasses existing methods across diverse model architectures and varying parameter scales, yielding improvements ranging from 0.6% to 6.5%.

KV-cache retrieval is essential for long-context LLM inference, yet existing methods struggle with distribution drift and high latency at scale. We introduce **ParisKV**, a drift-robust, GPU-native KV-cache retrieval framework based on collision-based candidate selection, followed by a quantized inner-product reranking estimator. For million-token contexts, ParisKV supports CPU-offloaded KV caches via Unified Virtual Addressing (UVA), enabling on-demand top-$k$ fetching with minimal overhead. ParisKV matches or outperforms full attention quality on both **long-input** and **long-generation** benchmarks. It achieves state-of-the-art long-context decoding efficiency: it matches or exceeds full-attention speed even at batch size 1 for long contexts, delivers up to **2.8$\times$** higher throughput within full attention’s runnable range, and scales to **million-token** contexts where full attention runs out of memory. At million-token scale, ParisKV reduces decode latency by **17$\times$** and **44$\times$** compared to MagicPIG and PQCache, respectively—two state-of-the-art KV-cache top-$k$ retrieval baselines; code is available at https://github.com/amy-77/ParisKV/tree/main.

We present improved bounds for estimating discrete probability distributions under the $\ell_{\infty}$ norm. These include minimax bounds in expectation and high-probability tail bounds. We resolve some of the open questions posed in Kontorovich and Painsky (JMLR, 2025) --- including a fully empirical version of the tightest risk bound they presented and identifying the form of the worst-case extremal distribution. Encouraging empirical results are reported as well.

In everyday photography, aesthetically appealing moments are often captured with structural flaws (e.g., composition, camera viewpoint, or pose) that existing retouching and portrait enhancement methods cannot fix. We formulate Aesthetic Photo Reconstruction (APR) as improving a photo’s aesthetic quality via structural reconstruction while preserving subject identity and scene semantics. Although recent advances in image editing models make APR feasible, they often lack aesthetic understanding, yielding edits that are semantically plausible yet aesthetically weak. To address this, we propose AesFormer, a two-stage framework that decouples aesthetic planning from image editing. In Stage 1, an aesthetic action model (AesThinker) analyzes the input along seven progressive photographic dimensions and outputs executable editing actions; we further apply GRPO-A to encourage broad exploration over diverse action plans beyond SFT. In Stage 2, an action-conditioned editor (AesEditor) performs structural edits guided by these actions. To support APR, we build a video-based corpus-mining pipeline (VCMP) and construct AesRecon, a benchmark of 9,071 strictly aligned (poor, good) image pairs. Experiments show that AesFormer substantially improves APR performance and is competitive with Nano Banana Pro. Code is available at: https://github.com/PKU-ICST-MIPL/AesFormer_ICML2026.

Large Language Model (LLM)-based multi-agent systems often suffer from high communication cost due to redundant interactions, as existing methods optimize communication structures without explicitly measuring whether exchanged messages contribute to the final decision. To better utilize the semantic information in the execution stage to further optimize the structure of multi-agent systems and reduce token costs, we propose **AgentTailor**, a cost-aware framework that evaluates the semantic contribution of communication edges via an edge judgment mechanism, and employs an **Edge Prediction Network (EPN)** to estimate edge utilities through virtual execution without invoking LLMs. Experiments show that AgentTailor achieves the best average accuracy (91.36\%) on six datasets of diverse fields, while reducing total tokens by 21.2\%--61.6\%. Our work demonstrates that explicitly modeling semantic edge contribution is crucial for scalable and efficient multi-agent systems, providing a principled approach to communication optimization that goes beyond structural heuristics. The code is available at https://github.com/Pt3Y/AgentTailor.

Evaluating LLM agents for scientific tasks has focused on token costs while ignoring tool-use costs like simulation time and experimental resources. As a result, metrics like pass@k become impractical under realistic budget constraints. To address this gap, we introduce \textsc{SimulCost}, the first benchmark targeting cost-sensitive parameter tuning in physics simulations. \textsc{SimulCost} compares LLM tuning cost-sensitive parameters against traditional scanning approach in both accuracy and computational cost, spanning 2,947 single-round (initial guess) and 1,931 multi-round (adjustment by trial-and-error) tasks across 13 simulators from fluid dynamics, solid mechanics, and plasma physics. Each simulator's cost is analytically defined and platform-independent. Frontier LLMs achieve 46--65\% success rates in single-round mode, dropping to 35--55\% under high accuracy requirements, rendering their initial guesses unreliable especially for high accuracy tasks. Multi-round mode improves rates to 72--81\%, but LLMs are 1.5--2.5$\times$ slower than traditional scanning, making them uneconomical choices. We also investigate parameter group correlations for knowledge transfer potential, and the impact of in-context examples and reasoning effort, providing practical implications for deployment and fine-tuning. We open-source \textsc{SimulCost} as a static benchmark and extensible toolkit to facilitate research on improving cost-aware agentic designs for physics simulations, and for expanding new simulation environments. Code and data are available at \url{https://github.com/Rose-STL-Lab/SimulCost-Bench}.

Diffusion language models offer a promising alternative to autoregressive models due to their global, non-causal generation process, but their continuous latent dynamics make discrete constraints---e.g., the output should be a JSON file that matches a given schema---difficult to impose. We introduce a training-free guidance method for steering continuous diffusion language models to satisfy formal syntactic constraints expressed using regular expressions. Our approach constructs an analytic score estimating the probability that a latent state decodes to a valid string accepted by a given regular expression, and uses its gradient to guide sampling, _without_ training auxiliary classifiers. The denoising process targets the base model conditioned on syntactic validity. We implement our method in Diffinity on top of the PLAID diffusion model and evaluate it on 180 regular-expression constraints over JSON and natural-language benchmarks. Diffinity achieves 68-96\% constraint satisfaction while incurring only a small perplexity cost relative to unconstrained sampling, outperforming autoregressive constrained decoding in both constraint satisfaction and output quality. Diffinity is open-sourced at github.com/large-loris-models/Diffinity.

While large-scale text-to-image diffusion models continue to improve in visual quality, their increasing scale has widened the gap between state-of-the-art models and on-device solutions. To address this gap, we introduce NanoFLUX, a **2.4B** text-to-image flow-matching model distilled from **17B** FLUX.1-Schnell using a progressive compression pipeline designed to preserve generation quality. Our contributions include: (1) A model compression strategy driven by pruning redundant components in the diffusion transformer, reducing its size from 12B to 2B; (2) A ResNet-based token downsampling mechanism that reduces latency by allowing intermediate blocks to operate on lower-resolution tokens while preserving high-resolution processing elsewhere; (3) A novel text encoder distillation approach that leverages visual signals from early layers of the denoiser during sampling. Empirically, NanoFLUX generates $512 \times 512$ images in approximately 2.5 seconds on mobile devices, demonstrating the feasibility of high-quality on-device text-to-image generation.

Many fundamental biological processes are governed by mechanical forces, with proteins acting as the key molecular mediators. Elucidating how protein unfolding responds to force is critical for understanding the mechano-pathologies, such as cardiomyopathy and muscular dystrophy. While the unfolding trajectories measured by Single-Molecule Force Spectroscopy (SMFS) map the instantaneous force response against molecular extension, its broader application is limited by time-consuming data collection and high operational costs. Here, we present the first scalable generative diffusion framework for full unfolding trajectory prediction, which integrates protein encoders for multi-scale conditioning. Beyond establishing the field's first systematic benchmark using existing models, we propose GenUnfold, a novel physics-guided diffusion model that combines global coevolutionary context with a local mechanical representation of the protein. The representation is derived from a novel physics-biased attention mechanism, which steers the generative diffusion process by modeling dynamic residue dependencies as a function of both structural topology and interaction stiffness. The benchmark for this task is built upon the biomolecule stretching database and several representative baseline models. Empirical results demonstrate that GenUnfold achieves state-of-the-art performance, reducing distributional error (FID) by 30\% and 54\% compared to pretrained Evolutionary Scale Model (ESM)-2 and standard transformer, respectively. Beyond statistical curve similarity, GenUnfold demonstrates superior physical consistency; in downstream mechanical property prediction, it reduces prediction errors for unfolding force and energy distributions by 6\% and 36\% over the ESM-2 baseline. These results indicate that while existing generative AI approaches can alleviate the need for predicting representative force curves, GenUnfold further improves performance by leveraging the synergy between protein structure and evolutionary information. By enabling proteome-wide screening to identify mechanical candidates before costly physical validation, our approach is promising to accelerate the discovery of force-targeted therapeutics.

Fine-tuning large pre-trained models on a target distribution often improves in-distribution (ID) accuracy, but at the cost of out-of-distribution (OOD) robustness as representations specialize to the fine-tuning data. Weight-space ensembling methods, such as Model Soups, mitigate this effect by averaging multiple checkpoints, but they are computationally prohibitive, requiring the training and storage of dozens of fine-tuned models. In this paper, we introduce MonoSoup, a simple, data-free, hyperparameter-free, post-hoc method that achieves a strong ID–OOD balance using _only a single_ checkpoint. Our method applies Singular Value Decomposition (SVD) to each layer’s update and decomposes it into high-energy directions that capture task-specific adaptation and low-energy directions that introduce noise but may still encode residual signals useful for robustness. MonoSoup then uses entropy-based effective rank to automatically re-weigh these components with layer-wise coefficients that account for the spectral and geometric structure of the model. Experiments on CLIP models fine-tuned on ImageNet and evaluated under natural distribution shifts, as well as on Qwen language models tested on mathematical reasoning and multiple-choice benchmarks, show that this plug-and-play approach is a practical and effective alternative to multi-checkpoint methods, retaining much of their benefits without their computational overhead.