We investigate the robustness of Large Language Models (LLMs) to structural interventions by deleting and swapping adjacent layers during inference. Surprisingly, models retain 72-95% of their original top-1 prediction accuracy without any fine-tuning. We find that performance degradation is not uniform across layers: interventions to the early and final layers cause the most degradation, while the model is remarkably robust to dropping middle layers. This pattern of localized sensitivity motivates our hypothesis of four stages of inference, observed across diverse model families and sizes: (1) detokenization, where local context is integrated to lift raw token embeddings into higher-level representations; (2) feature engineering, where task-and entity-specific features are iteratively refined; (3) prediction ensembling, where hidden states are aggregated into plausible next-token predictions; and (4) residual calibration, where irrelevant features are suppressed to finalize the top-1 output distribution. Synthesizing behavioral and mechanistic evidence, we provide a hypothesis for interpreting depth-dependent computations in LLMs.

Large language models (LLMs) have gained significant attention in chemistry. However, most existing datasets center on molecular-level property prediction and overlook the role of fine-grained functional group (FG) information. Incorporating FG-level data can provide valuable prior knowledge that links molecular structures with textual descriptions, which can be used to build more interpretable, structureaware LLMs for reasoning on molecule-related tasks. Moreover, LLMs can learn from such fine-grained information to uncover hidden relationships between specific functional groups and molecular properties, thereby advancing molecular design and drug discovery. Here, we introduce FGBench, a dataset comprising 625K molecular property reasoning problems with functional group information. Functional groups are precisely annotated and localized within the molecule, which ensures the dataset's interoperability, thereby facilitating further multimodal applications. FGBench includes both regression and classification tasks on 245 different functional groups across three categories for molecular property reasoning: (1) single functional group impacts, (2) multiple functional group interactions, and (3) direct molecular comparisons. In the benchmark of state-of-the-art LLMs on 7K curated data, the results indicate that current LLMs struggle with FG-level property reasoning, highlighting the need to enhance reasoning capabilities in LLMs for chemistry tasks. We anticipate that the methodology employed in FGBench to construct datasets with functional group-level information will serve as a foundational framework for generating new question-answer pairs, enabling LLMs to better understand fine-grained molecular structure-property relationships.

Recognizing symbols in architectural CAD drawings is critical for various advanced engineering applications. In this paper, we propose a novel CAD data annotation engine that leverages intrinsic attributes from systematically archived CAD drawings to automatically generate high-quality annotations, thus significantly reducing manual labeling efforts. Utilizing this engine, we construct ArchCAD-400k, a large-scale CAD dataset consisting of 413,062 chunks from 5538 standardized drawings, making it over 26 times larger than the largest existing CAD dataset. ArchCAD-400k boasts an extended drawing diversity and broader categories, offering line-grained annotations. Furthermore, we present a new baseline model for panoptic symbol spotting, termed Dual-Pathway Symbol Spotter (DPSS). It incorporates an adaptive fusion module to enhance primitive features with complementary image features, achieving state-of-the-art performance and enhanced robustness. Extensive experiments validate the effectiveness of DPSS, demonstrating the value of ArchCAD-400k and its potential to drive innovation in architectural design and construction.

'There is this overwhelming sense that ed tech companies are deciding what kids learn, and teachers are just being put into this position of tech support instead of driving the decisions about what is best for kids in terms of learning.' 'There is this overwhelming sense that ed tech companies are deciding what kids learn, and teachers are just being put into this position of tech support instead of driving the decisions about what is best for kids in terms of learning.' In October, Kelly Clancy's son received an assignment in sixth grade at a middle school in Brooklyn, New York, to create a science experiment and then ask Google Gemini, an artificial intelligence chatbot, for feedback, she said. Clancy, who has three children in New York City public schools, told the teacher that the bot "is something that just teaches kids that they can have machines do the thinking for them", instead of suggesting: "Let's talk to your partners. What about the science experiment could you improve?" Clancy also founded Parents for AI Caution in Educational Spaces, a group pushing the city to institute a two-year moratorium on using AI in its public schools.

Recent neural combinatorial optimization (NCO) methods have shown promising problem-solving ability without requiring domain-specific expertise. Most existing NCO methods use training and testing data with a fixed constraint value and lack research on the effect of constraint tightness on the performance of NCO methods. This paper takes the capacity-constrained vehicle routing problem (CVRP) as an example to empirically analyze the NCO performance under different tightness degrees of the capacity constraint. Our analysis reveals that existing NCO methods overfit the capacity constraint, and they can only perform satisfactorily on a small range of the constraint values but poorly on other values. To tackle this drawback of existing NCO methods, we develop an efficient training scheme that explicitly considers varying degrees of constraint tightness and propose a multiexpert module to learn a generally adaptable solving strategy. Experimental results show that the proposed method can effectively overcome the overfitting issue, demonstrating superior performance on the CVRP and CVRP with time windows (CVRPTW) with various constraint tightness degrees.

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Current long-tailed semi-supervised learning methods assume that labeled data exhibit a long-tailed distribution, and unlabeled data adhere to a typical predefined distribution (i.e., long-tailed, uniform, or inverse long-tailed). However, the distribution of the unlabeled data is generally unknown and may follow an arbitrary distribution. To tackle this challenge, we propose a Controllable Pseudo-label Generation (CPG) framework, expanding the labeled dataset with the progressively identified reliable pseudo-labels from the unlabeled dataset and training the model on the updated labeled dataset with a known distribution, making it unaffected by the unlabeled data distribution. Specifically, CPG operates through a controllable self-reinforcing optimization cycle: (i) at each training step, our dynamic controllable filtering mechanism selectively incorporates reliable pseudo-labels from the unlabeled dataset into the labeled dataset, ensuring that the updated labeled dataset follows a known distribution; (ii) we then construct a Bayes-optimal classifier using logit adjustment based on the updated labeled data distribution; (iii) this improved classifier subsequently helps identify more reliable pseudo-labels in the next training step. We further theoretically prove that this optimization cycle can significantly reduce the generalization error under some conditions. Additionally, we propose a class-aware adaptive augmentation module to further improve the representation of minority classes, and an auxiliary branch to maximize data utilization by leveraging all labeled and unlabeled samples. Comprehensive evaluations on various commonly used benchmark datasets show that CPG achieves consistent improvements, surpassing state-of-the-art methods by up to 15.97% in accuracy. The code is available at https://github.com/yaxinhou/CPG.

Natural gradient methods significantly accelerate the training of Physics-Informed Neural Networks (PINNs), but are often prohibitively costly. We introduce a suite of techniques to improve the accuracy and efficiency of energy natural gradient descent (ENGD) for PINNs. First, we leverage the Woodbury formula to dramatically reduce the computational complexity of ENGD. Second, we adapt the Subsampled Projected-Increment Natural Gradient Descent algorithm from the variational Monte Carlo literature to accelerate the convergence. Third, we explore the use of randomized algorithms to further reduce the computational cost in the case of large batch sizes. We find that randomization accelerates progress in the early stages of training for low-dimensional problems, and we identify key barriers to attaining acceleration in other scenarios. Our numerical experiments demonstrate that our methods outperform previous approaches, achieving the same L2 error as the original ENGD up to 75 faster.

Existing methods like data mixture strategies face limitations, including heavy reliance on expert knowledge and conflicting optimization signals. While model merging offers parameter-level conflict-resolution strategies through integrating specialized models' parameters, its potential for 3H optimization remains underexplored. This paper systematically compares the effectiveness of model merging and data mixture methods in constructing 3H-aligned LLMs for the first time, revealing previously overlooked collaborative and conflict relationships among the 3H dimensions and discussing the advantages and drawbacks of Mdata mixture (data-level) and model merging (parameter-level) methods in mitiodgating the conflict for balanced 3H optimization.

Vision-based intrusion detection has multiple applications in practical scenarios, e.g., autonomous driving, intelligent monitoring, and security. Previous works mainly focus on improving the intrusion detection performance, without a comprehensive and in-depth understanding of the intrusion scene. To fill this gap, we explore a novel task called Multimodal Large Language Models based Intrusion Scene Understanding (MLLM-ISU) and report a comprehensive benchmark for the task.