ICML 2026 Papers

International Conference on Machine Learning

Decision breakdown

6,341papers

Counted from the official paper list; may differ slightly from the number the conference announced.

  • Spotlight
    5368.5%
  • Poster
    5,80591.5%

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Transformer Circuits Can Realize Clustering Algorithms

Kenneth L. Clarkson, Kenneth L. Clarkson, Lior Horesh, Takuya Ito, Charlotte Park, Parikshit Ram

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Although transformers are most commonly optimized as statistical sequence models, it is unclear to what extent they can implement and learn exact algorithmic computations. Here, we specify a transformer implementation from first principles that executes a fundamental and widely used method for $k$-means clustering: Lloyd's algorithm. We theoretically prove and empirically demonstrate that this implementation of a transformer architecture, which we term the _$k$-means transformer_, exactly implements Lloyd's algorithm for $k$-means clustering using the standard circuit mechanisms of modern transformers: attention block, residual connections, and feed-forward block. In learning experiments, we find that training this base architecture on $k$-means clustering yields a generalizable clustering algorithm that surpasses Lloyd's algorithm in terms of clustering quality. Finally, we demonstrate that interpretable alterations (e.g., inclusion of layer normalizations) to this architecture yields diverse and novel variants of clustering algorithms, including soft $k$-means, spherical $k$-means, trimmed $k$-means. Overall, our results show that transformer circuit mechanisms can instantiate exact algorithmic routines for clustering, while simultaneously providing an effective learnable model.

Spotlight
The Abstraction Gap in Vision-Language Causal Reasoning

Chinh Hoang, Mohammad Rashedul Hasan

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Vision-language models (VLMs) generate fluent causal explanations, but current evaluations cannot distinguish linguistic plausibility from faithful causal reasoning. We introduce a dual-probe methodology that isolates these properties. The Text-Only Probe measures linguistic quality. The Chain-Text Probe requires models to first generate explicit causal chains. The Abstraction Gap (AG) metric quantifies the normalized performance difference. Evaluating eight VLMs on CAGE (Causal Abstraction Gap Evaluation), a benchmark of 49,500 questions across 5,500 images spanning Pearl's causal hierarchy, we find seven models exhibit AG exceeding 0.50 with text scores of 6--8 but chain scores below 2.5. Fine-tuning on 45,000 chain-annotated examples fails to close the gap. However, one model achieves near-zero AG. The capability exists within current VLM architectures and depends on pretraining and architectural choices. CAGE provides a diagnostic tool for assessing faithful causal reasoning in VLMs.

Poster
A Penalty Approach For Differentiation Through Black-box Quadratic Programming Solvers

Yuxuan Linghu, Zhiyuan Liu, Qi Deng

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Differentiating through the solution of a quadratic program (QP) is a central problem in differentiable optimization. Most existing approaches differentiate through the Karush--Kuhn--Tucker (KKT) system, but their computational cost and numerical robustness can degrade at scale. To address these limitations, we propose dXPP, a penalty-based differentiation framework that decouples QP solving from differentiation. In the solving step (forward pass), dXPP is solver-agnostic and can leverage any black-box QP solver. In the differentiation step (backward pass), we map the solution to a smooth approximate penalty problem and implicitly differentiate through it, requiring only the solution of a much smaller linear system in the primal variables. This approach bypasses the difficulties inherent in explicit KKT differentiation and significantly improves computational efficiency and robustness. We evaluate dXPP on various tasks, including randomly generated QPs, large-scale sparse projection problems, and a real-world multi-period portfolio optimization task. Empirical results demonstrate that dXPP is competitive with KKT-based differentiation methods and achieves substantial speedups on large-scale problems. Our implementation is open source and available at https://github.com/mmmmmmlinghu/dXPP.

Poster
FPTQuant: Function-Preserving Transforms for LLM Quantization

Boris van Breugel, Yelysei Bondarenko, Paul N. Whatmough, Markus Nagel

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Large language models (LLMs) require substantial compute, and thus energy, at inference time. While quantizing weights and activations is effective at improving efficiency, naive quantization of LLMs can significantly degrade performance due to large magnitude outliers. This paper describes FPTQuant, which introduces three novel, lightweight, and expressive function-preserving transforms (FPTs) to facilitate quantization of transformers: (1) a mergeable pre-RoPE transform for queries and keys, (2) a mergeable transform for values, (3) a cheap, dynamic scaling transform. By leveraging the equivariances and independencies inherent to canonical transformer operation, we designed these FPTs to maintain the model’s function while shaping the intermediate activation distributions to be more quantization friendly. FPTQuant requires no custom kernels and adds virtually no overhead during inference. The FPTs are trained both locally to reduce outliers, and end-to-end such that the outputs of the quantized and full-precision models match. FPTQuant enables static INT4 quantization with minimal overhead and shows SOTA speed-up of up to 3.9x over FP. Empirically, FPTQuant has an excellent accuracy-speed trade-off—it is performing on par or exceeding most prior work and only shows slightly lower accuracy compared to a method that is up to 29% slower.

Poster
Heterogeneous Customizable Personalized Federated Fine-Tuning Approach for Large Language Models

Xin Tong, Baojiang cui

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Personalized federated LoRA fine tuning has become a key approach to addressing data heterogeneity in distributed fine tuning of large language models (LLMs). Existing methods typically assume homogeneous personalization needs across clients, relying on dual LoRA or personalized calibration schemes. However, they fail to account for the heterogeneity of local personalization requirements and the conflicting optimization objectives in dual LoRA, limiting scalability and performance. To address this, we propose Het-CPFLoRA, a customizable heterogeneous federated LoRA fine tuning algorithm inspired by the decoupling properties of LoRA parameters. We employ a single adapter fine tuning scheme to mitigate conflicts between personalized and generalized optimization, decouple LoRA into generalized and personalized subspaces for local customization, and use SVD compression to integrate cross client generalized knowledge. During inference, we introduce an OOD oriented dynamic mechanism to adjust the weighting between personalized and generalized decoupling knowledge, improving performance on user data. Extensive experiments on two public benchmark datasets show that Het-CPFLoRA outperforms state of the art methods in both personalization and generalization across heterogeneous scenarios. The code will be released as an open-source project.

Poster
Restoring Exploration after Post-Training: Latent Exploration Decoding for Large Reasoning Models

Wenhui Tan, Fiorenzo Parascandolo, Enver Sangineto, Jianzhong Ju, Zhenbo Luo, Qian Cao, Rita Cucchiara, Ruihua Song, Jian Luan

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Large Reasoning Models (LRMs) have recently achieved strong mathematical and code reasoning performance through Reinforcement Learning (RL) post-training. However, we show that modern reasoning post-training induces an unintended exploration collapse: temperature-based sampling no longer increases pass@$n$ accuracy. Empirically, the final-layer posterior of post-trained LRMs exhibit sharply reduced entropy, while the entropy of intermediate layers remains relatively high. Motivated by this entropy asymmetry, we propose Latent Exploration Decoding (LED), a depth-conditioned decoding strategy. LED aggregates intermediate posteriors via cumulative sum and selects depth configurations with maximal entropy as exploration candidates. Without additional training or parameters, LED consistently improves pass@1 and pass@16 accuracy by 0.61 and 1.03 percentage points across multiple reasoning benchmarks and models. Relevant code is included in the supplementary material and will made be fully public after this paper is accepted.

Poster
DR-MMSearchAgent: Deepening Reasoning in Multimodal Search Agents

Shengqin Wang, Wentao Yan, Huichi Zhou, Yihang Chen, Kun Shao, Zhizhong Zhang, Yuan Xie

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Agentic multimodal models have garnered significant attention for their ability to leverage external tools to tackle complex tasks. However, it is observed that such agents often meet premature interaction collapse, caused by two primary reasons: 1) the terminal reward often appending on the last token prevents the advantage from distinguishing trajectories with exploratory behavior; 2) excessively redundant context hinders the agent from absorbing useful feedback. To address these issues, we propose the Deepening Reasoning MMSearchAgent, the framework leverages the structural proximity to derive advantage signals from the whole rollout trajectories in an entire batch, such that trajectories of different lengths are further encouraged to be generated, even when containing the same correct answer. Additionally, differentiated gaussian rewards are employed to dynamically calibrate interaction tolerance, thereby ensuring information reliability and reducing redundancy. To support multi-turn interaction training, we have constructed a multi-step deep-reasoning dataset including 3602 high-quality QA pairs with at least 3 reasoning steps. Extensive experiments demonstrate that our method achieves state-of-the-art performance, outperforming the MMSearch-R1 by 8.4\% on FVQA-test.

Poster
Expo-GS: Exposure-Aware Signed Distance Function in Gaussian Splatting for High Dynamic Range

Chaoda Song, Yiren Lu, Xinpeng Li, Yunlai Zhou, Yanyan Zhang, Yu Yin, Vipin Chaudhary

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High dynamic range novel view synthesis (HDR-NVS) remains challenged by geometric artifacts and radiometric distortions under multi-exposure conditions, primarily due to existing methods ignoring exposure and over-relying on color cues. Inspired by the integrated processing of color and structure of the human visual system (HVS), we propose Expo-GS, a novel framework that decomposes HDR-NVS into three interpretable components, namely, Irradiance Field Training, Geometry Field Training, and Interactive Joint Training. Central to Expo-GS is the exposure-aware signed distance function (Expo-SDF), which dynamically reweights geometric supervision via localized exposure reliability estimation, suppressing noisy gradients from unstable regions while enhancing structure learning in well-exposed areas. Building on this, we design an interactive optimization strategy that synchronizes Gaussian primitive growth and pruning with evolving Expo-SDF cues, enabling exposure-aware density control and eliminating hallucinated structures near exposure transitions. Experiments show that Expo-GS significantly outperforms prior methods on both synthetic and real-world datasets. It achieves a peak PSNR of 39.06 dB under HDR settings and up to 41.38 dB in the LDR-OE configuration, excelling in preserving high-frequency textures and maintaining structural consistency.

Poster
BioAgent Bench: An AI Agent Evaluation Suite for Bioinformatics

Dionizije Fa, Marko Čuljak, Marko Culjak, Bruno Pandža, Bruno Pandza, Mateo Čupić, Mateo Cupic

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We introduce BioAgent Bench, an evaluation suite designed for measuring the performance and robustness of AI agents in common bioinformatics tasks. The suite consists of manually curated end-to-end tasks (e.g., RNA-seq, variant calling, metagenomics) accompanied by task-specific prompts and concrete output artifacts to support automated assessment. We evaluate frontier closed- and open-weight models across multiple agent harnesses, and use an LLM-based grader to score pipeline progress and outcome validity. We find that agents based on frontier LLMs can complete multi-step bioinformatics pipelines without elaborate custom scaffolding, often producing the requested final artifacts reliably. However, robustness tests reveal failure modes under controlled perturbations (corrupted inputs, decoy files, and prompt bloat), indicating that correct high-level pipeline construction does not guarantee reliable step-level reasoning. Finally, bioinformatics workflows often involve sensitive patient data or unpublished intellectual property, thereby making the use of cost-effective yet reliable local agents an imperative. Therefore, by releasing the code and the complementary resources comprising our suite, we aim to accelerate the development of such privacy-preserving agents.

Poster
A Sketch-and-Project Analysis of Subsampled Natural Gradient Algorithms

Gil Goldshlager, Jiang Hu, Lin Lin

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Subsampled natural gradient descent (SNG) has been used to enable high-precision scientific machine learning, but standard analyses based on stochastic preconditioning fail to provide insight into realistic small-sample settings. We overcome this limitation by instead analyzing SNG as a sketch-and-project method. Motivated by this lens, we discard the usual theoretical proxy which decouples gradients and preconditioners using two independent mini-batches, and we replace it with a new proxy based on squared volume sampling. Under this new proxy the expectation of the SNG direction becomes equal to a preconditioned gradient descent step even in the presence of coupling, leading to (i) global convergence guarantees when using a single mini-batch of any size, and (ii) an explicit characterization of the convergence rate in terms of quantities related to the sketch-and-project structure. These findings in turn yield new insights into small-sample settings, for example by suggesting that the advantage of SNG over SGD is that it can more effectively exploit spectral decay in the model Jacobian. We also extend these ideas to explain a popular structured momentum scheme for SNG, known as SPRING, by showing that it arises naturally from accelerated sketch-and-project methods.

Poster
SARSteer: Safeguarding Large Audio Language Models via Safe-Ablated Refusal Steering

Weilin Lin, Jianze Li, Hui Xiong, Li Liu

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Large Audio–Language Models (LALMs) are becoming essential as a powerful multimodal backbone for real-world applications. However, recent studies show that audio inputs can more easily elicit harmful responses than text, exposing new risks toward deployment. While safety alignment has made initial advances in LLMs and Large Vision–Language Models (LVLMs), we find that vanilla adaptation of these approaches to LALMs faces two key limitations: 1) LLM-based steering fails under audio input due to the large distributional gap between activations, and 2) prompt-based defenses induce over-refusals on benign-speech queries. To address these challenges, we propose **S**afe-**A**blated **R**efusal **Steer**ing (SARSteer), an effective inference-time defense framework for LALMs. Specifically, SARSteer leverages text-derived refusal steering to enforce rejection without manipulating audio inputs and introduces decomposed safe-space ablation to mitigate over-refusal. Extensive experiments demonstrate that SARSteer significantly improves harmful-query refusal while preserving benign responses, establishing a principled step toward safety alignment in LALMs. The codes and constructed datasets are released at https://github.com/linweiii/SARSteer.

Poster
A Two-Tier Perspective on Inference-Time Parallelism in Multi-Agent LLM Systems

Zihan Xu, Haolin Tian, Hai Jiang

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Large language model (LLM)-driven multi-agent systems typically require multiple model invocations and complex coordination during inference, and their execution strategies directly affect system accuracy, latency, and computational cost. Parallel execution provides a means to improve inference-time efficiency. From the perspective of inference-time execution, this paper models parallelism in multi-agent systems as two distinct levels of decision processes: Replica Parallelism, which explores multiple complete solution paths at the task level, and Structural Parallelism, which enables concurrent execution within a single solution path through task decomposition. However, the roles of different forms of parallelism and their interrelationships still lack systematic study in terms of unified organization and coordination. We therefore propose TIPEX, a controllable execution framework that unifies these two levels of parallelism and coordinates their roles within the inference process under a unified execution semantics while supporting systematic combinations and analyses of different parallel strategies and parameter configurations. Systematic experiments on the GAIA benchmark demonstrate that inference-time parallelism can significantly improve accuracy and reduce end-to-end latency at the cost of increased token consumption. Further analysis shows that Replica and Structural Parallelism exhibit complementary effects across task complexities, with tasks of intermediate difficulty benefiting most from their coordination, while overly aggressive parallel strategies do not necessarily yield better performance.

Poster
Understanding Multimodal Learning: A Loss Landscape Smoothness Perspective

Jae-Jun Lee, Sung Whan Yoon

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A surge of recent advancements has consistently highlighted the superiority of multimodal learning over unimodal approaches across a variety of tasks. However, the theoretical foundations elucidating this advantage remain underexplored: existing theoretical analyses are often constrained by tight assumptions, and lack empirical validation. In this paper, we link this gap by proposing a novel theoretical framework grounded in \textit{convolutional smoothing}, offering a new perspective on how multimodal learning contributes to a smoother loss landscape compared to unimodal learning. Building upon this theoretical foundation, we introduce a simple yet effective distributional training approach based on stochastic modality pairing instead of fixed pairing; thus, further promoting flatter landscape via convolutional smoothing. Our empirical results across various multimodal datasets demonstrate that multimodal models not only achieve better performance but also exhibit smoother loss landscape, which represent better robustness and generalization.

Poster
Beyond Log Likelihood: Probability-Based Objectives for Supervised Fine-Tuning across the Model Capability Continuum

Gaotang Li, Ruizhong Qiu, Xiusi Chen, Heng Ji, Hanghang Tong

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Supervised fine-tuning (SFT) is the standard approach for post-training large language models (LLMs), yet it often shows limited generalization. We trace this limitation to its default training objective: negative log likelihood (NLL). While NLL is classically optimal when training from scratch, post-training operates in a different paradigm and could violate its optimality assumptions, where models already encode task-relevant priors and supervision can be long and noisy. In this work, we systematically study various probability-based objectives and characterize when and why different objectives succeed or fail under varying conditions. Through comprehensive experiments and extensive ablation studies across 8 model backbones, 27 benchmarks, and 7 domains, we uncover a critical dimension that governs objective behavior: the model-capability continuum. Near the model-strong end, prior-leaning objectives that downweight low-probability tokens (e.g., $-p$, $-p^{10}$, thresholded variants) consistently outperform NLL; toward the model-weak end, NLL dominates; in between, no single objective prevails. Our theoretical analysis further elucidates how objectives trade places across the continuum, providing a principled foundation for adapting objectives to model capability. The code is available at https://github.com/GaotangLi/Beyond-Log-Likelihood.

Spotlight
Learning to Correct: Reinforcement Learning for Multi-Attempt Chain-of-Thought

Muhammed Emrullah Ildiz, Halil Alperen Gozeten, Ege Onur Taga, Samet Oymak

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State-of-the-art reasoning models utilize long chain-of-thought (CoT) to solve increasingly complex problems using more test-time computation. In this work, we explore a long CoT setting where the model makes up to K successive attempts at solving a problem, in which each attempt is allowed to build on earlier ones after the model receives a hard verifier feedback. This motivates RL methods that can harness per-attempt rewards by carefully weighting individual attempts. We study optimizing the Verification@K reward (the model succeeds by the K-th attempt) and show that naively weighing the attempts by their pass/fail results in biased gradients. We introduce Calibrated Attempt-Level (CAL) GRPO by devising a weighing strategy to obtain unbiased gradients while maintaining small variance. Our theory reveals how incorporating per-attempt rewards influences the training and the eventual Verification@K performance. Experiments, baselines, and ablations on synthetic and real data corroborate our theory and the benefits of CAL-GRPO over vanilla GRPO as well as naive weighting.

Poster
Differential syntactic and semantic encoding in LLMs

Santiago Acevedo, Alessandro Laio, Marco Baroni

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We study how syntactic and semantic information is encoded in inner layer representations of Large Language Models (LLMs), focusing on the very large DeepSeek-V3. We find that, by averaging hidden-representation vectors of sentences sharing syntactic structure or meaning, we obtain vectors that capture a significant proportion of the syntactic and semantic information contained in the representations. In particular, subtracting these syntactic and semantic ``centroids'' from sentence vectors strongly affects their similarity with syntactically and semantically matched sentences, respectively, suggesting that syntax and semantics are, at least partially, linearly encoded. We also find that the cross-layer encoding profiles of syntax and semantics are different, and that the two signals can to some extent be decoupled, suggesting differential encoding of these two types of linguistic information in LLM representations.

Poster
LALM-as-a-Judge: Benchmarking Large Audio-Language Models for Safety Evaluation in Multi-Turn Spoken Dialogues

Amir Ivry, Shinji Watanabe

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Evaluation of socially unsafe content in spoken dialogues remains text-centric, missing prosody and transcription failures. We present LALM-as-a-Judge, which includes an open benchmark of 24,000 multi-turn spoken dialogues with one localized unsafe turn, generated out of 8 socially unsafe categories and 5 severity levels. We evaluate 6 large audio-language models (LALMs) as judges, open and closed-source, in text-only, audio-only, and multimodal setups by their sensitivity, severity-order specificity, and turn-position bias for socially harmful content in the dialogue. Results show that audio contributes non-lexical evidence beyond transcript semantics and that multimodal gains are not universal but can be text-anchored, balanced, conservative, and interfering, which we link to the audio pathway bottlenecks and fusion limits. We position the benchmark as diagnostic and derive practitioner guidance for model, modality, and prompts choices.

Poster
Rethinking KV Cache Eviction via a Unified Information-Theoretic Objective

Jiaming Yang, Chenwei Tang, Liangli Zhen, Jiancheng Lv

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Key–value (KV) caching is essential for large language model inference, yet its memory overhead poses a critical bottleneck for long-context generation. Existing eviction policies predominantly rely on empirical heuristics, lacking a rigorous theoretical foundation. This work rethinks KV cache eviction through the lens of the Information Bottleneck principle. Under a linear–Gaussian surrogate of attention, we derive a closed-form mutual information objective that characterizes the effective information capacity of a retained KV cache subset. This formulation reveals that a wide range of existing eviction strategies can be interpreted as different approximations of the same capacity-maximization principle. Guided by this insight, we introduce CapKV, a capacity-aware eviction method that directly targets information preservation via a log-determinant approximation using statistical leverage scores. This approach replaces heuristic selection with a theoretically grounded mechanism that preserves the maximum predictive signal. Extensive experiments across multiple models and long-context benchmarks show that CapKV consistently outperforms prior methods, achieving a better trade-off between memory efficiency and generational fidelity.

Poster
XSpecMesh: Quality-Preserving Auto-Regressive Mesh Generation Acceleration via Multi-Head Speculative Decoding

Dian Chen, Yansong Qu, Xinyang Li, Ming Li, Shengchuan Zhang

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Current auto-regressive models can generate high-quality, topologically precise meshes; however, they necessitate thousands—or even tens of thousands—of next-token predictions during inference, resulting in substantial latency. We introduce XSpecMesh, a quality-preserving acceleration method for auto-regressive mesh generation models. XSpecMesh employs a lightweight, multi-head speculative decoding scheme to predict multiple tokens in parallel within a single forward pass, thereby accelerating inference. We further propose a verification and resampling strategy: the backbone model verifies each predicted token and resamples any tokens that do not meet the quality criteria. In addition, we propose a distillation strategy that trains the lightweight decoding heads by distilling from the backbone model, encouraging their prediction distributions to align and improving the success rate of speculative predictions. Extensive experiments demonstrate that our method achieves a $1.7\times$ speedup without sacrificing generation quality. Our code will be released.

Poster
SMART: Scalable Mesh‑free Aerodynamic Simulations from Raw Geometries using a Transformer‑based Surrogate Model

Jan Hagnberger, Mathias Niepert

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Machine learning–based surrogate models have emerged as more efficient alternatives to numerical solvers for physical simulations over complex geometries, such as car bodies. Many existing models incorporate the simulation mesh as an additional input, thereby reducing prediction errors. However, generating a simulation mesh for new geometries is computationally costly. In contrast, mesh-free methods, which do not rely on the simulation mesh, typically incur higher errors. Motivated by these considerations, we introduce SMART, a neural surrogate model that predicts physical quantities at arbitrary query locations using only a point-cloud representation of the geometry, without requiring access to the simulation mesh. The geometry and simulation parameters are encoded into a shared latent space that captures both structural and parametric characteristics of the physical field. A physics decoder then attends to the encoder's intermediate latent representations to map spatial queries to physical quantities. Through this cross-layer interaction, the model jointly updates latent geometric features and the evolving physical field. Extensive experiments show that SMART is competitive with and often outperforms existing methods that rely on the simulation mesh as input, demonstrating its capabilities for industry-level simulations.

Poster