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.

We present VGGT-SLAM, a dense RGBSLAM system constructed by incrementally and globally aligning submaps created from the feed-forward scene reconstruction approach VGGT using only uncalibrated monocular cameras. While related works align submaps using similarity transforms (i.e., translation, rotation, and scale), we show that such approaches are inadequate in the case of uncalibrated cameras. In particular, we revisit the idea of reconstruction ambiguity, where given a set of uncalibrated cameras with no assumption on the camera motion or scene structure, the scene can only be reconstructed up to a 15-degreesof-freedom projective transformation of the true geometry. This inspires us to recover a consistent scene reconstruction across submaps by optimizing over the SL(4) manifold, thus estimating 15-degrees-of-freedom homography transforms between sequential submaps while accounting for potential loop closure constraints. As verified by extensive experiments, we demonstrate that VGGTSLAM achieves improved map quality using long video sequences that are infeasible for VGGT due to its high GPU requirements.

We present PBR-SR, a novel method for physically based rendering (PBR) texture super resolution (SR).

Hierarchical clustering is a powerful tool for exploratory data analysis, organizing data into a tree of clusterings from which a partition can be chosen. This paper generalizes these ideas by proving that, for any reasonable hierarchy, one can optimally solve any center-based clustering objective over it (such as k-means). Moreover, these solutions can be found exceedingly quickly and are themselves necessarily hierarchical. Thus, given a cluster tree, we show that one can quickly access a plethora of new, equally meaningful hierarchies. Just as in standard hierarchical clustering, one can then choose any desired partition from these new hierarchies. We conclude by verifying the utility of our proposed techniques across datasets, hierarchies, and partitioning schemes.

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.

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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Gradient estimation is a central challenge in training parameterized quantum circuits (PQCs) for hybrid quantum-classical optimization and learning problems. This difficulty arises from several factors, including the exponential dimensionality of the Hilbert spaces and the information loss in quantum measurements. Existing estimators, such as finite difference and the parameter shift rule, often fail to adequately address these challenges for certain classes of PQCs. In this work, we propose a novel gradient estimation framework that leverages the underlying Lie algebraic structure of PQCs, combined with the Hadamard test. By analyzing the differential of the matrix exponential in Lie algebras, we derive an expression for the gradient as a linear combination of expectation values obtained via Hadamard tests. The coefficients in this decomposition depend solely on the circuit's parameterization and can be computed efficiently. Furthermore, these expectation values can be estimated using state-of-the-art shadow tomography techniques. Our approach enables efficient gradient estimation, requiring a number of measurement shots that scales logarithmically with the number of parameters, and with polynomial classical and quantum time. This is an exponential reduction in the measurement cost and a polynomial speed-up in time compared to existing works.

We explore a novel problem in streaming submodular maximization, inspired by the dynamics of news-recommendation platforms. We consider a setting where users can visit a news website at any time, and upon each visit, the website must display up to k news items. User interactions are inherently stochastic: each news item presented to the user is consumed with a certain acceptance probability by the user, and each news item covers certain topics. Our goal is to design a streaming algorithm that maximizes the expected total topic coverage. To address this problem, we establish a connection to submodular maximization subject to a matroid constraint.