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This thesis develops numerical and theoretical approaches for understanding and analyzing singularity formation in Partial Differential Equations (PDEs). The singularity formation in the Navier-Stokes Equation (NSE) is famously challenging as one of the seven Clay Prize problems. Unlike simpler equations such as the Nonlinear Heat (NLH) or Keller-Segel (KS) equations, where formal asymptotics near blowup are better understood, the intrinsic complexity of NSE makes quantitative analytical treatment difficult, if not impossible, without numerical guidance. Building on numerical insights, we introduce a robust analytical framework to simplify and systematize pen-and-paper proofs for simpler singular PDEs. We present a novel approach based on enforcing vanishing modulation conditions for perturbations around approximate blowup profiles, complemented by singularly weighted energy estimates. We demonstrate the efficacy of our method on PDEs with complicated asymptotics, such as NLH and the Complex Ginzburg-Landau (CGL) equation, and address the open problem of singularity formation in the 3D KS equation with logistic damping. We develop and refine numerical approaches that facilitate deeper insights into singularity formation. We demonstrate that machine learning methods significantly enhance our capability to identify and characterize potential blowup solutions with high precision. We improve on existing Physics-Informed Neural Network (PINN) and Neural Operator (NO) frameworks. Moreover, we present a novel machine learning paradigm, the Kolmogorov-Arnold Network (KAN) architecture, whose interpretability and excellent scaling properties are achieved through learnable nonlinearities.

Modeling single-cell gene expression across diverse biological and technical conditions is crucial for characterizing cellular states and simulating unseen scenarios. Existing methods often treat genes as independent tokens, overlooking their high-level biological relationships and leading to poor performance. We introduce SAVE, a unified generative framework based on conditional Transformers for multi-condition single-cell modeling. SAVE leverages a coarse-grained representation by grouping semantically related genes into blocks, capturing higher-order dependencies among gene modules. A Flow Matching mechanism and condition-masking strategy further enhance flexible simulation and enable generalization to unseen condition combinations. We evaluate SAVE on a range of benchmarks, including conditional generation, batch effect correction, and perturbation prediction. SAVE consistently outperforms state-of-the-art methods in generation fidelity and extrapolative generalization, especially in low-resource or combinatorially held-out settings. Overall, SAVE offers a scalable and generalizable solution for modeling complex single-cell data, with broad utility in virtual cell synthesis and biological interpretation. Our code is publicly available at https://github.com/fdu-wangfeilab/sc-save

Causal inference from electronic health records (EHR) is fundamentally limited by unmeasured confounding: critical clinical states such as frailty, goals of care, and mental status are documented in free-text notes but absent from structured data. Large language models can extract these latent confounders as interpretable, structured covariates, yet how to effectively integrate them into causal estimation pipelines has not been systematically studied. Using the MIMIC-IV database with 21,859 sepsis patients, we compare seven covariate-integration strategies for estimating the effect of early vasopressor initiation on 28-day mortality, spanning tabular-only baselines, traditional NLP representations, and three LLM-augmented approaches. A central finding is that not all integration strategies are equally effective: directly augmenting the propensity score model with LLM covariates achieves the best performance, while dual-caliper matching on text-derived categorical distances restricts the donor pool and degrades estimation. In semi-synthetic experiments with known ground-truth effects, LLM-augmented propensity scores reduce estimation bias from 0.0143 to 0.0003 relative to tabular-only methods, and this advantage persists under substantial simulated extraction error. On real data, incorporating LLM-extracted covariates reduces the estimated treatment effect from 0.055 to 0.027, directionally consistent with the CLOVERS randomized trial, and a doubly robust estimator yielding 0.019 confirms the robustness of this finding. Our results offer practical guidance on when and how text-derived covariates improve causal estimation in critical care.

Traditional melissopalynology is a time-consuming and subjective process, often taking 4-6 hours per sample. We present an automated, high-throughput microscopy system that integrates H_\infty robust mechanical control with advanced deep learning pipelines for the precise counting, classification, and morphological analysis of pollen grains from Bio Bio region in south central territory in Chile. Our system employs U^2-Net for salient object detection and a DINOv2 Vision Transformer backbone trained via Deep Metric Learning for classification. By integrating Gradient-Weighted Attention, the model provides human-interpretable texture and diagnostic feature annotations. The system achieves a 95.8% classification recall and at least 6x processing speedup compared to manual expert analysis.

Time-series forecasting is central to many scientific and industrial domains, such as energy systems, climate modeling, finance, and retail. While forecasting methods have evolved from classical statistical models to automated, and neural approaches, the surrounding software ecosystem remains anchored to the traditional Python numerical stack. Existing libraries rely on interpreter-driven execution and object-oriented abstractions, limiting composability, large-scale parallelism, and integration with modern differentiable and accelerator-oriented workflows. Meanwhile, today's forecasting increasingly involves large collections of heterogeneous time series data, irregular covariates, and frequent retraining, placing new demands on scalability and execution efficiency. JAX offers an alternative paradigm to traditional stateful numerical computation frameworks based on pure functions and program transformations such as just-in-time compilation and automatic vectorization, enabling end-to-end optimization across CPUs, GPUs, and TPUs. However, this modern paradigm has not yet been fully incorporated into the design of forecasting systems. We introduce Chronax, a JAX-native time-series forecasting library that rethinks forecasting abstractions around functional purity, composable transformations, and accelerator-ready execution. By representing preprocessing, modeling, and multi-horizon prediction as pure JAX functions, Chronax enables scalable multi-series forecasting, model-agnostic conformal uncertainty quantification, and seamless integration with modern machine learning and scientific computing pipelines.

Large language models write production code, and yet they routinely introduce well-known vulnerabilities. We show that this is not a knowledge deficit: the same models that generate insecure code, correctly identify and explain the vulnerability when asked directly, this is a gap we call the Format-Reliability Gap. Mechanistic analysis reveals the cause: security representations are encoded from the earliest layers but remain computationally inert until the final layer, where format-compliance demands compete with them. Because the failure is localized to a single layer, per-vulnerability steering vectors reduce insecure generation by up to 74% with negligible overhead. The mechanism and the fix generalize across five models, three architecture families, and six vulnerability types, suggesting insecure code generation is an interpretability problem, not a training artifact.

Masking-based post-hoc explanation methods, such as KernelSHAP and LIME, estimate local feature importance by querying a black-box model under randomized perturbations. This paper formulates this procedure as communication over a query channel, where the latent explanation acts as a message and each masked evaluation is a channel use. Within this framework, the complexity of the explanation is captured by the entropy of the hypothesis class, while the query interface supplies information at a rate determined by an identification capacity per query. We derive a strong converse showing that, if the explanation rate exceeds this capacity, the probability of exact recovery necessarily converges to one in error for any sequence of explainers and decoders. We also prove an achievability result establishing that a sparse maximum-likelihood decoder attains reliable recovery when the rate lies below capacity. A Monte Carlo estimator of mutual information yields a non-asymptotic query benchmark that we use to compare optimal decoding with Lasso- and OLS-based procedures that mirror LIME and KernelSHAP. Experiments reveal a range of query budgets where information theory permits reliable explanations but standard convex surrogates still fail. Finally, we interpret super-pixel resolution and tokenization for neural language models as a source-coding choice that sets the entropy of the explanation and show how Gaussian noise and nonlinear curvature degrade the query channel, induce waterfall and error-floor behavior, and render high-resolution explanations unattainable.

Accurate prediction of cancer progression remains a challenge due to the high heterogeneity of molecular omics data across patients. While biologically informed models have improved the interpretability of these predictions, a persistent limitation lies in how they encode individual genes to construct pathway representations. Existing hierarchical models typically derive gene features by directly mapping raw molecular inputs, whereas integration frameworks often rely on simple statistical aggregations of patient-level signals. These approaches often fail to explicitly learn a shared base representation for each gene, thereby limiting the expressiveness and biological accuracy of downstream pathway embeddings. To address this, we introduce PATH, a modulation-based, patient-conditioned gene embedding strategy. PATH represents a paradigm shift by starting from a shared base embedding for each gene, preserving a stable biological identity across the population, and then dynamically adapting it using patient-specific copy number variation (CNV) and mutation signals. This allows the model to capture subtle individual molecular variations while maintaining a consistent latent understanding of the gene itself. We integrate PATH into a graph transformer framework that models interactions among biologically connected pathways through pathway-guided attention. Across pancancer metastasis prediction, PATH achieves an F1 score of 0.8766, representing an 8.8 percent improvement over the current SOTA multi-omics benchmarks. Beyond superior predictive accuracy, our approach identifies biologically meaningful pathways and, crucially, reveals disease-state-specific pathway rewiring, offering new insights into the evolving pathway-pathway interactions that drive cancer progression.

UAV vision-language navigation (VLN) requires an agent to navigate complex 3D environments from an egocentric perspective while following ambiguous multi-step instructions over long horizons. Existing zero-shot methods remain limited, as they often rely on large base models, generic prompts, and loosely coordinated modules. In this work, we propose FineCog-Nav, a top-down framework inspired by human cognition that organizes navigation into fine-grained modules for language processing, perception, attention, memory, imagination, reasoning, and decision-making. Each module is driven by a moderate-sized foundation model with role-specific prompts and structured input-output protocols, enabling effective collaboration and improved interpretability. To support fine-grained evaluation, we construct AerialVLN-Fine, a curated benchmark of 300 trajectories derived from AerialVLN, with sentence-level instruction-trajectory alignment and refined instructions containing explicit visual endpoints and landmark references. Experiments show that FineCog-Nav consistently outperforms zero-shot baselines in instruction adherence, long-horizon planning, and generalization to unseen environments. These results suggest the effectiveness of fine-grained cognitive modularization for zero-shot aerial navigation. Project page: https://smartdianlab.github.io/projects-FineCogNav.

We present SemanticQA, an evaluation suite designed to assess language models (LMs) in semantic phrase processing tasks. The benchmark consolidates existing multiword expression (MwE) resources and reorganizes them into a unified testbed. It covers both general lexical phenomena, such as lexical collocations, and three fine-grained categories: idiomatic expressions, noun compounds, and verbal constructions. Through SemanticQA, we assess LMs of diverse architectures and scales in extraction, classification, and interpretation tasks, as well as sequential task compositions. We reveal substantial performance variation, particularly on tasks requiring semantic reasoning, highlighting differences in reasoning efficacy and semantic understanding of LMs, providing insights for pushing LMs with stronger comprehension on non-trivial semantic phrases. The evaluation harness and data of SemanticQA are available at https://github.com/jacklanda/SemanticQA.

Existing multi-hazard susceptibility mapping (MHSM) studies often rely on spatially uniform models, treat hazards independently, and provide limited representation of cross-hazard dependence and uncertainty. To address these limitations, this study proposes a deep learning (DL) workflow for joint flood-landslide multi-hazard susceptibility mapping (FL-MHSM) that combines two-level spatial partitioning, probabilistic Early Fusion (EF), a tree-based Late Fusion (LF) baseline, and a soft-gating Mixture of Experts (MoE) model, with MoE serving as final predictive model. The proposed design preserves spatial heterogeneity through zonal partitions and enables data-parallel large-area prediction using overlapping lattice grids. In Kerala, EF remained competitive with LF, improving flood recall from 0.816 to 0.840 and reducing Brier score from 0.092 to 0.086, while MoE provided strongest performance for flood susceptibility, achieving an AUC-ROC of 0.905, recall of 0.930, and F1-score of 0.722. In Nepal, EF similarly improved flood recall from 0.820 to 0.858 and reduced Brier score from 0.057 to 0.049 relative to LF, while MoE outperformed both EF and LF for landslide susceptibility, achieving an AUC-ROC of 0.914, recall of 0.901, and F1-score of 0.559. GeoDetector analysis of MoE outputs further showed that dominant factors varied more across zones in Kerala, where susceptibility was shaped by different combinations of topographic, land-cover, and drainage-related controls, while Nepal showed a more consistent influence of topographic and glacier-related factors across zones. These findings show that EF and LF provide complementary predictive behavior, and that their spatially adaptive integration through MoE yields robust overall predictive performance for FL-MHSM while supporting interpretable characterization of multi-hazard susceptibility in spatially heterogeneous landscapes.

Understanding natural and engineered systems often relies on symbolic formulations, such as differential equations, which provide interpretability and transferability beyond black-box models. We introduce Latent Grammar Flow (LGF), a neuro-symbolic generative framework for discovering ordinary differential equations from data. LGF embeds equations as grammar-based representations into a discrete latent space and forces semantically similar equations to be positioned closer together with a behavioural loss. Then, a discrete flow model guides the sampling process to recursively generate candidate equations that best fit the observed data. Domain knowledge and constraints, such as stability, can be either embedded into the rules or used as conditional predictors.

Panoramic radiography is a fundamental diagnostic tool in dentistry, offering a comprehensive view of the entire dentition with minimal radiation exposure. However, manual interpretation is time-consuming and prone to errors, especially in high-volume clinical settings. This creates a pressing need for efficient automated solutions. This study presents the first application of YOLOv26 for automated tooth detection, FDI-based numbering, and dental disease segmentation in panoramic radiographs. The DENTEX dataset was preprocessed using Roboflow for format conversion and augmentation, yielding 1,082 images for tooth enumeration and 1,040 images for disease segmentation across four pathology classes. Five YOLOv26-seg variants were trained on Google Colab using transfer learning at a resolution of 800x800. Results demonstrate that the YOLOv26m-seg model achieved the best performance for tooth enumeration, with a precision of 0.976, recall of 0.970, and box mAP50 of 0.976. It outperformed the YOLOv8x baseline by 4.9% in precision and 3.3% in mAP50, while also enabling high-quality mask-level segmentation (mask mAP50 = 0.970). For disease segmentation, the YOLOv26l-seg model attained a box mAP50 of 0.591 and a mask mAP50 of 0.547. Impacted teeth showed the highest per-class average precision (0.943), indicating that visual distinctiveness influences detection performance more than annotation quantity. Overall, these findings demonstrate that YOLOv26-based models offer a robust and accurate framework for automated dental image analysis, with strong potential to enhance diagnostic efficiency and consistency in clinical practice.

Voice assistants increasingly rely on Speech Language Models (SpeechLMs) to interpret spoken queries and execute complex tasks, yet existing benchmarks lack domain breadth, acoustic diversity, and compositional reasoning complexity to evaluate tool-calling performance. We introduce Audio2Tool, a large-scale dataset comprising approximately 30,000 queries designed to assess tool-calling capabilities of SpeechLMs across three primary domains: Smart Car, Smart Home, and Wearables. Our benchmark features a multi-tier complexity hierarchy, ranging from simple direct commands to complex multi-intent and needle-in-a-haystack extraction to isolate distinct failure modes. To ensure realism, we employ zero-shot voice cloning text-to-speech synthesis and diverse noise profiles to simulate in-the-wild conditions. Evaluations of state-of-the-art SpeechLMs and ASR-LLM pipelines show strong performance on simple commands but significant degradation under compositional and acoustic challenges. Code and dataset are publicly available on the project page: https://audio2tool.github.io/.

Computational X-ray absorption near-edge structure (XANES) is widely used to interpret local coordination environments, oxidation states, and electronic structure in chemically complex systems. In practice, routine computational XANES at scale is often constrained by workflow complexity rather than by the simulation method. We present ChemGraph-XANES, a large-language-model (LLM)-based agentic framework for XANES simulation and analysis that combines retrieval-augmented generation (RAG)-assisted parameter selection from documentation, schema-constrained tool execution, deterministic FDMNES input generation, and provenance-aware data curation. The framework supports both direct scripted execution and natural-language orchestration, with both modes routed through a deterministic backend for structure handling, absorber and edge specification, input generation, execution, spectral extraction, and post-processing. We demonstrate three proof-of-capability use cases: RAG-assisted selection and propagation of FDMNES input parameters, structure-file-based execution, and chemistry-level natural-language specification of absorber and composition requests. In a recorded trace, a simulation parameter is retrieved from the FDMNES manual by the RAG-enabled agent and propagated into a schema-validated tool call, illustrating traceable parameter selection. We further show that the same execution pathway supports both explicit local structures and chemistry-level user inputs. Because XANES calculations are independent once inputs are defined, ChemGraph-XANES is designed to support task-parallel execution and the creation of structure-linked XANES collections. ChemGraph-XANES therefore serves as a practical agentic framework for computational spectroscopy and data generation, emphasizing constrained orchestration, reproducibility, and traceable outputs.

Drug repurposing is often framed as a candidate identification task, but existing approaches provide limited guidance for distinguishing biologically plausible candidates from historically well-connected ones. Here we introduce DrugKLM, a hybrid framework that integrates biomedical knowledge graph structure with large language model-based mechanistic reasoning to enable mechanistically grounded therapeutic prioritization. Across benchmark datasets, DrugKLM outperforms knowledge graph-only and language model-only baselines, including TxGNN. Beyond improved recall, DrugKLM confidence scores exhibit functional alignment with molecular phenotypes: higher scores are associated with transcriptional signatures linked to improved survival across 12 TCGA cancers. The scoring framework preferentially captures biologically perturbational signals rather than historical indication patterns. Expert curation across five cancers further reveals systematic differences in prioritization behavior, with DrugKLM elevating candidates supported by coherent mechanistic rationale and disease-specific clinical context. Together, these results establish DrugKLM as an evidence-integrative framework that translates heterogeneous biomedical data into mechanistically interpretable and clinically grounded therapeutic hypotheses.

Large language models (LLMs) increasingly rely on chain-of-thought (CoT) reasoning to solve complex tasks. Yet ensuring that the reasoning trace both contributes to and faithfully reflects the processes underlying the model's final answer, rather than merely accompanying it, remains challenging. We introduce AtManRL, a method that leverages differentiable attention manipulation to learn more faithful reasoning through reinforcement learning. By training an additive attention mask that identifies tokens in the CoT crucial for producing correct answers, we derive a saliency reward signal that encourages the model to generate reasoning traces that genuinely influence its final predictions. We integrate this saliency reward with outcome-based rewards within the GRPO framework to jointly optimize for correctness and interpretability. Experiments on GSM8K and MMLU with Llama-3.2-3B-Instruct demonstrate that our approach can identify influential reasoning tokens and enable training more transparent reasoning models.

Recent advances in generative motion synthesis have enabled the production of realistic human motions from diverse input modalities. However, synthesizing compound actions from texts, which integrate multiple concurrent actions into coherent full-body sequences, remains a major challenge. We identify two key limitations in current text-to-motion diffusion models: (i) catastrophic neglect, where earlier actions are overwritten by later ones due to improper handling of temporal information, and (ii) attention collapse, which arises from excessive feature fusion in cross-attention mechanisms. As a result, existing approaches often depend on overly detailed textual descriptions (e.g., raising right hand), explicit body-part specifications (e.g., editing the upper body), or the use of large language models (LLMs) for body-part interpretation. These strategies lead to deficient semantic representations of physical structures and kinematic mechanisms, limiting the ability to incorporate natural behaviors such as greeting while walking. To address these issues, we propose the Motion-Adapter, a plug-and-play module that guides text-to-motion diffusion models in generating compound actions by computing decoupled cross-attention maps, which serve as structural masks during the denoising process. Extensive experiments demonstrate that our method consistently produces more faithful and coherent compound motions across diverse textual prompts, surpassing state-of-the-art approaches.

Tables condense key transactional and administrative information into compact layouts, but practical extraction requires more than text recognition: systems must also recover structure (rows, columns, merged cells, headers) and interpret roles such as line items, subtotals, and totals under common capture artifacts. Many existing resources for table structure recognition and TableVQA are built from clean digital-born sources or rendered tables, and therefore only partially reflect noisy administrative conditions. We introduce DenTab, a dataset of 2{,}000 cropped table images from dental estimates with high-quality HTML annotations, enabling evaluation of table recognition (TR) and table visual question answering (TableVQA) on the same inputs. DenTab includes 2{,}208 questions across eleven categories spanning retrieval, aggregation, and logic/consistency checks. We benchmark 16 systems, including 14 vision--language models (VLMs) and two OCR baselines. Across models, strong structure recovery does not consistently translate into reliable performance on multi-step arithmetic and consistency questions, and these reasoning failures persist even when using ground-truth HTML table inputs. To improve arithmetic reliability without training, we propose the Table Router Pipeline, which routes arithmetic questions to deterministic execution. The pipeline combines (i) a VLM that produces a baseline answer, a structured table representation, and a constrained table program with (ii) a rule-based executor that performs exact computation over the parsed table. The source code and dataset will be made publicly available at https://github.com/hamdilaziz/DenTab.

Accurate assessment of lithium-ion battery ageing is challenged by cell-to-cell variability, heterogeneous cycling protocols, and limited transferability of data-driven models across datasets. In particular, robust identification of degradation transitions, such as the knee point, and reliable early-life prediction of remaining useful life (RUL) remain open problems. This study proposes a unified framework for battery ageing analysis based on continuous representations of voltage-capacity and capacity-cycle trajectories learned from heterogeneous public datasets (NASA, CALCE, ISU-ILCC). The continuous formulation enables consistent extraction of degradation descriptors, including curvature, plateau length and knee-related metrics, while reducing sensitivity to dataset-specific discretisation. Across more than 250 cells, statistically significant correlations between knee onset and end-of-life (Pearson 0.75-0.84) are observed. Additional early-life analysis confirms that knee-related features retain predictive value when estimated from partial trajectories. Early-life models provide increasingly stable RUL predictions as the number of observed cycles increases, with meaningful predictive performance emerging within the first 5-20 cycles and remain robust under cross-dataset domain shift. The framework integrates continuous modelling, feature extraction and uncertainty-aware prediction, providing an interpretable and dataset-consistent approach demonstrating robustness across heterogeneous dataset types. Compared with conventional discrete or feature-based methods, the proposed representation reduces sensitivity to sampling resolution and improves cross-dataset consistency. The study is limited to laboratory-scale datasets and capacity-based end-of-life definitions.

For head and neck cancer (HNC) patients, prognostic outcome prediction can support personalized treatment strategy selection. Improving prediction performance of HNC outcomes has been extensively explored by using advanced artificial intelligence (AI) techniques on PET/CT data. However, the interpretability of AI remains a critical obstacle for its clinical adoption. Unlike previous HNC studies that empirically selected explainable AI (XAI) techniques, we are the first to comprehensively evaluate and rank 13 XAI methods across 24 metrics, covering faithfulness, robustness, complexity and plausibility. Experimental results on the multi-center HECKTOR challenge dataset show large variations across evaluation aspects among different XAI methods, with Integrated Gradients (IG) and DeepLIFT (DL) consistently obtained high rankings for faithfulness, complexity and plausibility. This work highlights the importance of comprehensive XAI method evaluation and can be extended to other medical imaging tasks.

Verifiers have been demonstrated to enhance LLM reasoning via test-time scaling (TTS). Yet, they face significant challenges in complex domains. Error propagation from incorrect intermediate reasoning can lead to false positives for seemingly plausible solutions, while lacking external grounding makes verifiers unreliable on computation or knowledge-intensive tasks. To address these challenges, we propose Agentic Verifier, a framework that transforms reward modeling into a multi-turn, tool-augmented deliberative process. We introduce complementary forward and backward agents: one traces solutions from premises to conclusions, while the other re-checks conclusions against their underlying premises. This bidirectional process enables a comprehensive, reliable, and interpretable assessment of solutions. To facilitate practical deployment, we propose AgentV-RL. Through proactive exploration and reinforcement learning, the verifier autonomously interleaves tool-use with internal reasoning. Extensive experiments show that Agentic Verifier yields consistent performance gains under both parallel and sequential TTS. Notably, our 4B variant surpasses state-of-the-art ORMs by 25.2%, positioning it as a promising paradigm for agentic reward modeling.

Wireless radiance field (WRF) reconstruction aims to learn a continuous, queryable representation of radio frequency characteristics over 3D space and direction, from which specific quantities, such as the spatial power spectrum (SPS) at a receiver given a transmitter position, can be predicted. While Gaussian splatting (GS)-based method has surpassed Neural Radiance Fields (NeRF)-based method for this task, existing adaptations largely transplant vision pipelines, limiting physical interpretability and accuracy. We introduce BiSplat-WRF, a planar GS framework that retains the expressiveness of 3D GS while removing unnecessary projections and incorporating global EM coupling and mutual scattering among primitives. Each primitive is a 2D planar Gaussian with 3D coordinates, rendered directly on the angular domain of the SPS. A bilinear spatial transformer (BST) aggregates inter-primitive relations on an angular grid and, via attention, captures long-range electromagnetic dependencies, thereby enforcing globally aware EM interactions that reflect the complex physics of the wireless environment. On spatial spectrum synthesis task, BiSplat-WRF surpasses NeRF-based and prior GS-based baselines with respect to the Structural Similarity Index (SSIM); comprehensive ablation studies validate the contribution of BST. We also provide a larger BiSplat-WRF+ variant that further increases SSIM at a higher computation cost, serving as a strong reference for future studies.

Shadows are prevalent in high-resolution aerospace imagery (ASI). They often cause spectral distortion and information loss, which degrade downstream interpretation tasks. While deep learning methods have advanced natural-image shadow removal, their direct application to ASI faces two primary challenges. First, strictly paired training data are severely lacking. Second, homogeneous shadow assumptions fail to handle the broad penumbra transition zones inherent in aerospace scenes. To address these issues, we propose AeroDeshadow, a unified two-stage framework integrating physics-guided shadow synthesis and penumbra-aware restoration. In the first stage, a Physics-aware Degradation Shadow Synthesis Network (PDSS-Net) explicitly models illumination decay and spatial attenuation. This process constructs AeroDS-Syn, a large-scale paired dataset featuring soft boundary transitions. Constrained by this physical formulation, a Penumbra-aware Cascaded DeShadowing Network (PCDS-Net) then decouples the input into umbra and penumbra components. By restoring these regions progressively, PCDS-Net alleviates boundary artifacts and over-correction. Trained solely on the synthetic AeroDS-Syn, the network generalizes to real-world ASI without requiring paired real annotations. Experimental results indicate that AeroDeshadow achieves state-of-the-art quantitative accuracy and visual fidelity across synthetic and real-world datasets. The datasets and code will be made publicly available at: https://github.com/AeroVILab-AHU/AeroDeshadow.

Recently impressive performance has been achieved in Concept Bottleneck Models (CBM) by utilizing the image-text alignment learned by a large pre-trained vision-language model (i.e. CLIP). However, there exist two key limitations in concept modeling. Existing methods often suffer from pre-training biases, manifested as granularity misalignment or reliance on structural priors. Moreover, fine-tuning with Binary Cross-Entropy (BCE) loss treats each concept independently, which ignores mutual exclusivity among concepts, leading to suboptimal alignment. To address these limitations, we propose Concept-wise Attention for Fine-grained Concept Bottleneck Models (CoAt-CBM), a novel framework that achieves adaptive fine-grained image-concept alignment and high interpretability. Specifically, CoAt-CBM employs learnable concept-wise visual queries to adaptively obtain fine-grained concept-wise visual embeddings, which are then used to produce a concept score vector. Then, a novel concept contrastive optimization guides the model to handle the relative importance of the concept scores, enabling concept predictions to faithfully reflect the image content and improved alignment. Extensive experiments demonstrate that CoAt-CBM consistently outperforms state-of-the-art methods. The codes will be available upon acceptance.

This position paper argues that large language model (LLM) reasoning should be studied as latent-state trajectory formation rather than as faithful surface chain-of-thought (CoT). This matters because claims about faithfulness, interpretability, reasoning benchmarks, and inference-time intervention all depend on what the field takes the primary object of reasoning to be. We ask what that object should be once three often-confounded factors are separated and formalize three competing hypotheses: H1, reasoning is primarily mediated by latent-state trajectories; H2, reasoning is primarily mediated by explicit surface CoT; and H0, most apparent reasoning gains are better explained by generic serial compute than by any privileged representational object. Reorganizing recent empirical, mechanistic, and survey work under this framework, and adding compute-audited worked exemplars that factorize surface traces, latent interventions, and matched budget expansions, we find that current evidence most strongly supports H1 as a default working hypothesis rather than as a task-independent verdict. We therefore make two recommendations: the field should treat latent-state dynamics as the default object of study for LLM reasoning, and it should evaluate reasoning with designs that explicitly disentangle surface traces, latent states, and serial compute.

Everyday tasks come with a target, and pretraining models around this target is what turns them into experts. In this paper, we study target-oriented language model (LM) pretraining by introducing Neuron-Activated Graph Ranking (NAG-based Ranking), a training-free and interpretable framework for target pretraining data selection. Rather than using black-box representations, our approach directly characterizes each target input by a sparse set of high-impact neurons in any off-the-shelf LLMs. Concretely, we quantify neuron impact and select the most influential neurons across layers into a compact Neuron-Activated Graph (NAG), and rank candidate data by NAG similarity to target examples. We conduct experiments across six benchmarks, where our NAG-based Ranking improves target-oriented pretraining by 4.9% on average over random sampling, and also outperforms state-of-the-art baselines by 5.3% accuracy on HellaSwag. It also remains effective under a more applicable multi-target setting, where our best setup surpasses two baselines by 1.1% and 4.1%, respectively. Furthermore, we provide a comprehensive analysis on why and how our NAG works, e.g., deactivating NAG-selected neurons (only 0.12% of all) causes a 23.5% performance collapse, and restricting NAG to the final layer incurs a 4.1% average drop, indicating that NAG captures a sparse "functional backbone" for learning target features. We release the code at https://github.com/asillycat/NAG.

Measuring the quality of public deliberation requires evaluating not only civility or argument structure, but also the informational progress of a conversation. We introduce a framework for Conversational Information Gain (CIG) that evaluates each utterance in terms of how it advances collective understanding of the target topic. To operationalize CIG, we model an evolving semantic memory of the discussion: the system extracts atomic claims from utterances and incrementally consolidates them into a structured memory state. Using this memory, we score each utterance along three interpretable dimensions: Novelty, Relevance, and Implication Scope. We annotate 80 segments from two moderated deliberative settings (TV debates and community discussions) with these dimensions and show that memory-derived dynamics (e.g., the number of claim updates) correlate more strongly with human-perceived CIG than traditional heuristics such as utterance length or TF--IDF. We develop effective LLM-based CIG predictors paving the way for information-focused conversation quality analysis in dialogues and deliberative success.

Hyperbolic conservation laws govern a wide range of transport-driven dynamics featuring shocks, contact discontinuities, and complex wave interactions, posing distinct challenges for deep-learning-based surrogate modeling. While classical numerical methods provide robust and physically admissible solutions, their computational cost restricts applicability in many-query tasks such as parametric studies and design optimization. Conversely, existing neural surrogates offer rapid inference but often fail to respect intrinsic PDE structures, leading to non-physical artifacts, rollout instability, and poor generalization. We present an interpretable, structure-preserving graph neural solver that bridges classical numerical principles with graph neural networks (GNNs). The network is designed as a learned reconstruction-and-flux operator rather than a black-box state updater, thereby inherently preserving key properties such as local conservation and upwinding. Inspired by Arbitrary high-order DERivatives schemes, we further recast message-passing GNNs as high-order space-time predictors, enabling conservative and stable neural updates with large time steps. Evaluation is performed on challenging supersonic flow benchmarks spanning broad parametric variations in geometry, initial/boundary conditions, and flow regimes. The neural solver achieves superior long-horizon rollout stability and accuracy compared with strong surrogate baselines, outperforms low-order discretizations, and delivers orders-of-magnitude runtime speedups over high-resolution simulations.

Chest X-ray (CXR) interpretation is hindered by the long-tailed distribution of pathologies and the open-world nature of clinical environments. Existing benchmarks often rely on closed-set classes from a single institution, failing to capture the prevalence of rare diseases or the appearance of novel findings. To address this, we present the CXR-LT challenge. The first event, CXR-LT 2023, established a large-scale benchmark for long-tailed multi-label CXR classification and identified key challenges in rare disease recognition. CXR-LT 2024 further expanded the label space and introduced a zero-shot task to study generalization to unseen findings. Building on the success of CXR-LT 2023 and 2024, this third iteration of the benchmark introduces a multi-center dataset comprising over 145,000 images from PadChest and NIH Chest X-ray datasets. Additionally, all development and test sets in CXR-LT 2026 are annotated by radiologists, providing a more reliable and clinically grounded evaluation than report-derived labels. The challenge defines two core tasks this year: (1) Robust Multi-Label Classification on 30 known classes and (2) Open-World Generalization to 6 unseen (out-of-distribution) rare disease classes. This paper summarizes the overview of the CXR-LT 2026 challenge. We describe the data collection and annotation procedures, analyze solution strategies adopted by participating teams, and evaluate head-versus-tail performance, calibration, and cross-center generalization gaps. Our results show that vision-language foundation models improve both in-distribution and zero-shot performance, but detecting rare findings under multi-center shift remains challenging. Our study provides a foundation for developing and evaluating AI systems in realistic long-tailed and open-world clinical conditions.