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Shu Yang

Publications and source records attributed to Shu Yang.

At least 73 records · Page 4Linked to original sources

Spatial Causal Tensor Completion for Multiple Exposures and Outcomes: An Application to the Health Effects of PFAS Pollution

Per- and polyfluoroalkyl substances (PFAS) are typically encountered as mixtures of distinct chemicals with distinct effects on multiple health outcomes. Estimating joint causal effects using spatially-dependent observed data is challenging. We propose a spatial causal tensor completion framework that jointly models multiple exposures and outcomes within a low-rank tensor structure, while adjusting for observed confounders and latent spatial confounders. This method combines a low-rank tensor representation to pool information across exposures and outcomes with a spectral adjustment step that incorporates graph-Laplacian eigenvectors to approximate unmeasured spatial confounders, implemented via a projected-gradient descent algorithm. This framework enables causal inference in the presence of unmeasured spatial confounding and pervasive missingness of potential outcomes. We establish theoretical guarantees for the estimator and evaluate its finite-sample performance through extensive simulations. In an application to national PFAS monitoring data, our approach yields more conservative and credible causal relationships between PFOA and PFOS exposure and 13 chronic disease outcomes compared with existing alternatives.

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Tabular LLMs for Interpretable Few-Shot Alzheimer's Disease Prediction with Multimodal Biomedical Data

Accurate diagnosis of Alzheimer's disease (AD) requires handling tabular biomarker data, yet such data are often small and incomplete, where deep learning models frequently fail to outperform classical methods. Pretrained large language models (LLMs) offer few-shot generalization, structured reasoning, and interpretable outputs, providing a powerful paradigm shift for clinical prediction. We propose TAP-GPT Tabular Alzheimer's Prediction GPT, a domain-adapted tabular LLM framework built on TableGPT2 and fine-tuned for few-shot AD classification using tabular prompts rather than plain texts. We evaluate TAP-GPT across four ADNI-derived datasets, including QT-PAD biomarkers and region-level structural MRI, amyloid PET, and tau PET for binary AD classification. Across multimodal and unimodal settings, TAP-GPT improves upon its backbone models and outperforms traditional machine learning baselines in the few-shot setting while remaining competitive with state-of-the-art general-purpose LLMs. We show that feature selection mitigates degradation in high-dimensional inputs and that TAP-GPT maintains stable performance under simulated and real-world missingness without imputation. Additionally, TAP-GPT produces structured, modality-aware reasoning aligned with established AD biology and shows greater stability under self-reflection, supporting its use in iterative multi-agent systems. To our knowledge, this is the first systematic application of a tabular-specialized LLM to multimodal biomarker-based AD prediction, demonstrating that such pretrained models can effectively address structured clinical prediction tasks and laying the foundation for tabular LLM-driven multi-agent clinical decision-support systems. The source code is publicly available on GitHub: https://github.com/sophie-kearney/TAP-GPT.

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Non-Resonant Boundary Time Crystals from Quantum Synchronization Breakdown

Quantum synchronization (QS) in dissipative systems is often inferred from smooth phase locking, leaving open whether its breakdown constitutes a genuine nonequilibrium transition. Here we introduce a Liouvillian framework that classifies driven-dissipative dynamics by the structure of the undriven dissipative background and show that QS breaks down via a Hopf-type dynamical phase transition into a boundary time crystal (BTC). The character of this transition is determined by the background attractor: systems with a self-sustained oscillator (SSO) support robust non-resonant BTCs, whereas those with a polar fixed point (PFP) sustain BTCs only at resonance and lose them under detuning. We identify sharp dynamical and spectral signatures of the QS-BTC transition and thereby establish, within U(1)-symmetric collective-spin Lindbladians driven by a single coherent tone, a background-based allowed/forbidden criterion that unifies QS, its breakdown, and time-crystalline order within a single Liouvillian framework.

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Neuron-Aware Data Selection In Instruction Tuning For Large Language Models

Instruction Tuning (IT) has been proven to be an effective approach to unlock the powerful capabilities of large language models (LLMs). Recent studies indicate that excessive IT data can degrade LLMs performance, while carefully selecting a small subset of high-quality IT data can significantly enhance their capabilities. Therefore, identifying the most efficient subset data from the IT dataset to effectively develop either specific or general abilities in LLMs has become a critical challenge. To address this, we propose a novel and efficient framework called NAIT. NAIT evaluates the impact of IT data on LLMs performance by analyzing the similarity of neuron activation patterns between the IT dataset and the target domain capability. Specifically, NAIT captures neuron activation patterns from in-domain datasets of target domain capabilities to construct reusable and transferable neuron activation features. It then evaluates and selects optimal samples based on the similarity between candidate samples and the expected activation features of the target capabilities. Experimental results show that training on the 10\% Alpaca-GPT4 IT data subset selected by NAIT consistently outperforms methods that rely on external advanced models or uncertainty-based features across various tasks. Our findings also reveal the transferability of neuron activation features across different capabilities of LLMs. In particular, IT data with more logical reasoning and programmatic features possesses strong general transferability, enabling models to develop stronger capabilities across multiple tasks, while a stable core subset of data is sufficient to consistently activate fundamental model capabilities and universally improve performance across diverse tasks.

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When Thinking Backfires: Mechanistic Insights Into Reasoning-Induced Misalignment

With the growing accessibility and wide adoption of large language models, concerns about their safety and alignment with human values have become paramount. In this paper, we identify a concerning phenomenon: Reasoning-Induced Misalignment (RIM), in which misalignment emerges when reasoning capabilities strengthened-particularly when specific types of reasoning patterns are introduced during inference or training. Beyond reporting this vulnerability, we provide the first mechanistic account of its origins. Through representation analysis, we discover that specific attention heads facilitate refusal by reducing their attention to CoT tokens, a mechanism that modulates the model's rationalization process during inference. During training, we find significantly higher activation entanglement between reasoning and safety in safety-critical neurons than in control neurons, particularly after fine-tuning with those identified reasoning patterns. This entanglement strongly correlates with catastrophic forgetting, providing a neuron-level explanation for RIM.

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Selective Information Borrowing for Region-Specific Treatment Effect Inference under Covariate Mismatch in Multi-Regional Clinical Trials

Multi-regional clinical trials (MRCTs) are central to global drug development, enabling evaluation of treatment effects across diverse populations. A key challenge is valid and efficient inference for a region-specific estimand when the target region is small and differs from auxiliary regions in baseline covariates or unmeasured factors. We adopt an estimand-based framework and focus on the region-specific average treatment effect (RSATE) in a prespecified target region, which is directly relevant to local regulatory decision-making. Cross-region differences can induce covariate shift, covariate mismatch, and outcome drift, potentially biasing information borrowing and invalidating RSATE inference. To address these issues, we develop a unified causal inference framework with selective information borrowing. First, we introduce an inverse-variance weighting estimator that combines a "small-sample, rich-covariate" target-only estimator with a "large-sample, limited-covariate" full-borrowing doubly robust estimator, maximizing efficiency under no outcome drift. Second, to accommodate outcome drift, we apply conformal prediction to assess patient-level comparability and adaptively select auxiliary-region patients for borrowing. Third, to ensure rigorous finite-sample inference, we employ a conditional randomization test with exact, model-free, selection-aware type I error control. Simulation studies show the proposed estimator improves efficiency, yielding 10-50% reductions in mean squared error and higher power relative to no-borrowing and full-borrowing approaches, while maintaining valid inference across diverse scenarios. An application to the POWER trial further demonstrates improved precision for RSATE estimation.

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Faithful-Patchscopes: Understanding and Mitigating Model Bias in Hidden Representations Explanation of Large Language Models

Large Language Models (LLMs) have demonstrated strong capabilities for hidden representation interpretation through Patchscopes, a framework that uses LLMs themselves to generate human-readable explanations by decoding from internal hidden representations. However, our work shows that LLMs tend to rely on inherent linguistic patterns, which can override contextual information encoded in the hidden representations during decoding. For example, even when a hidden representation encodes the contextual attribute "purple" for "broccoli", LLMs still generate "green" in their explanations, reflecting a strong prior association. This behavior reveals a systematic unfaithfulness in Patchscopes. To systematically study this issue, we first designed a dataset to evaluate the faithfulness of Patchscopes under biased cases, and our results show that there is an 18.84\% faithfulness decrease on average. We then propose Bias Alignment through Logit Recalibration (BALOR), which treats the output logits from an unpatched prompt as capturing model bias and contrasts them with logits obtained under patched contextual information. By recalibrating the logit distribution through this contrast, BALOR suppresses model bias and amplifies contextual information during generation. Experiments across multiple LLMs demonstrate that BALOR consistently outperforms existing baselines, achieving up to 33\% relative performance improvement.

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Not All Code Is Equal: A Data-Centric Study of Code Complexity and LLM Reasoning

Large Language Models (LLMs) increasingly exhibit strong reasoning abilities, often attributed to their capacity to generate chain-of-thought-style intermediate reasoning. Recent work suggests that exposure to code can further enhance these skills, but existing studies largely treat code as a generic training signal, leaving open the question of which properties of code actually contribute to improved reasoning. To address this gap, we study the structural complexity of code, which captures control flow and compositional structure that may shape how models internalise multi-step reasoning during fine-tuning. We examine two complementary settings: solution-driven complexity, where complexity varies across multiple solutions to the same problem, and problem-driven complexity, where complexity reflects variation in the underlying tasks. Using cyclomatic complexity and logical lines of code to construct controlled fine-tuning datasets, we evaluate a range of open-weight LLMs on diverse reasoning benchmarks. Our findings show that although code can improve reasoning, structural properties strongly determine its usefulness. In 83% of experiments, restricting fine-tuning data to a specific structural complexity range outperforms training on structurally diverse code, pointing to a data-centric path for improving reasoning beyond scaling.

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Comparative validation of surgical phase recognition, instrument keypoint estimation, and instrument instance segmentation in endoscopy: Results of the PhaKIR 2024 challenge

Reliable recognition and localization of surgical instruments in endoscopic video recordings are foundational for a wide range of applications in computer- and robot-assisted minimally invasive surgery (RAMIS), including surgical training, skill assessment, and autonomous assistance. However, robust performance under real-world conditions remains a significant challenge. Incorporating surgical context - such as the current procedural phase - has emerged as a promising strategy to improve robustness and interpretability. To address these challenges, we organized the Surgical Procedure Phase, Keypoint, and Instrument Recognition (PhaKIR) sub-challenge as part of the Endoscopic Vision (EndoVis) challenge at MICCAI 2024. We introduced a novel, multi-center dataset comprising thirteen full-length laparoscopic cholecystectomy videos collected from three distinct medical institutions, with unified annotations for three interrelated tasks: surgical phase recognition, instrument keypoint estimation, and instrument instance segmentation. Unlike existing datasets, ours enables joint investigation of instrument localization and procedural context within the same data while supporting the integration of temporal information across entire procedures. We report results and findings in accordance with the BIAS guidelines for biomedical image analysis challenges. The PhaKIR sub-challenge advances the field by providing a unique benchmark for developing temporally aware, context-driven methods in RAMIS and offers a high-quality resource to support future research in surgical scene understanding.

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Can Large Language Models Identify Implicit Suicidal Ideation? An Empirical Evaluation

We present a comprehensive evaluation framework for assessing Large Language Models' (LLMs) capabilities in suicide prevention, focusing on two critical aspects: the Identification of Implicit Suicidal ideation (IIS) and the Provision of Appropriate Supportive responses (PAS). We introduce \ourdata, a novel dataset of 1,308 test cases built upon psychological frameworks including D/S-IAT and Negative Automatic Thinking, alongside real-world scenarios. Through extensive experiments with 8 widely used LLMs under different contextual settings, we find that current models struggle significantly with detecting implicit suicidal ideation and providing appropriate support, highlighting crucial limitations in applying LLMs to mental health contexts. Our findings underscore the need for more sophisticated approaches in developing and evaluating LLMs for sensitive psychological applications.

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Estimating optimal interpretable individualized treatment regimes from a classification perspective using adaptive LASSO

Real-world data (RWD) gains growing interests to provide a representative sample of the population for selecting the optimal treatment options. However, existing complex black box methods for estimating individualized treatment rules (ITR) from RWD have problems in interpretability and convergence. Providing an interpretable and sparse ITR can be used to overcome the limitation of existing methods. We developed an algorithm using Adaptive LASSO to predict optimal interpretable linear ITR in the RWD. To encourage sparsity, we obtain an ITR by minimizing the risk function with various types of penalties and different methods of contrast estimation. Simulation studies were conducted to select the best configuration and to compare the novel algorithm with the existing state-of-the-art methods. The proposed algorithm was applied to RWD to predict the optimal interpretable ITR. Simulations show that adaptive LASSO had the highest rates of correctly selected variables and augmented inverse probability weighting with Super Learner performed best for estimating treatment contrast. Our method had a better performance than causal forest and R-learning in terms of the value function and variable selection. The proposed algorithm can strike a balance between the interpretability of estimated ITR (by selecting a small set of important variables) and its value.

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Investigating CoT Monitorability in Large Reasoning Models

Large Reasoning Models (LRMs) have demonstrated remarkable performance on complex tasks by engaging in extended reasoning before producing final answers. Beyond improving abilities, these detailed reasoning traces also create a new opportunity for AI safety, CoT Monitorability: monitoring potential model misbehavior, such as the use of shortcuts or sycophancy, through their chain-of-thought (CoT) during decision-making. However, two key fundamental challenges arise when attempting to build more effective monitors through CoT analysis. First, as prior research on CoT faithfulness has pointed out, models do not always truthfully represent their internal decision-making in the generated reasoning. Second, monitors themselves may be either overly sensitive or insufficiently sensitive, and can potentially be deceived by models' long, elaborate reasoning traces. In this paper, we present the first systematic investigation of the challenges and potential of CoT monitorability. Motivated by two fundamental challenges we mentioned before, we structure our study around two central perspectives: (i) verbalization: to what extent do LRMs faithfully verbalize the true factors guiding their decisions in the CoT, and (ii) monitor reliability: to what extent can misbehavior be reliably detected by a CoT-based monitor? Specifically, we provide empirical evidence and correlation analyses between verbalization quality, monitor reliability, and LLM performance across mathematical, scientific, and ethical domains. Then we further investigate how different CoT intervention methods, designed to improve reasoning efficiency or performance, will affect monitoring effectiveness. Finally, we propose MoME, a new paradigm in which LLMs monitor other models' misbehavior through their CoT and provide structured judgments along with supporting evidence.

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Meta-Router: Bridging Gold-standard and Preference-based Evaluations in Large Language Model Routing

In language tasks that require extensive human--model interaction, deploying a single "best" model for every query can be expensive. To reduce inference cost while preserving the quality of the responses, a large language model (LLM) router selects the most appropriate model from a pool of candidates for each query. A central challenge to training a high-quality router is the scarcity of reliable supervision. Gold-standard data (e.g., expert-verified labels or rubric-based scores) provide accurate quality evaluations of LLM responses but are costly and difficult to scale. In contrast, preference-based data, collected via crowdsourcing or LLM-as-a-judge systems, are cheaper and more scalable, yet often biased in reflecting the true quality of responses. We cast the problem of LLM router training with combined gold-standard and preference-based data into a causal inference framework by viewing the response evaluation mechanism as the treatment assignment. This perspective further reveals that the bias in preference-based data corresponds to the well-known causal estimand: the conditional average treatment effect. Based on this new perspective, we develop an integrative causal router training framework that corrects preference-data bias, address imbalances between two data sources, and improve routing robustness and efficiency. Numerical experiments demonstrate that our approach delivers more accurate routing and improves the trade-off between cost and quality.

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MambaMIL+: Modeling Long-Term Contextual Patterns for Gigapixel Whole Slide Image

Whole-slide images (WSIs) are an important data modality in computational pathology, yet their gigapixel resolution and lack of fine-grained annotations challenge conventional deep learning models. Multiple instance learning (MIL) offers a solution by treating each WSI as a bag of patch-level instances, but effectively modeling ultra-long sequences with rich spatial context remains difficult. Recently, Mamba has emerged as a promising alternative for long sequence learning, scaling linearly to thousands of tokens. However, despite its efficiency, it still suffers from limited spatial context modeling and memory decay, constraining its effectiveness to WSI analysis. To address these limitations, we propose MambaMIL+, a new MIL framework that explicitly integrates spatial context while maintaining long-range dependency modeling without memory forgetting. Specifically, MambaMIL+ introduces 1) overlapping scanning, which restructures the patch sequence to embed spatial continuity and instance correlations; 2) a selective stripe position encoder (S2PE) that encodes positional information while mitigating the biases of fixed scanning orders; and 3) a contextual token selection (CTS) mechanism, which leverages supervisory knowledge to dynamically enlarge the contextual memory for stable long-range modeling. Extensive experiments on 20 benchmarks across diagnostic classification, molecular prediction, and survival analysis demonstrate that MambaMIL+ consistently achieves state-of-the-art performance under three feature extractors (ResNet-50, PLIP, and CONCH), highlighting its effectiveness and robustness for large-scale computational pathology

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Designing Efficient Hybrid and Single-Arm Trials: External Control Borrowing and Sample Size Calculation

External controls (ECs) from historical trials or real-world data have gained increasing attention as a way to augment hybrid and single-arm trials, especially when balanced randomization is infeasible. While most existing work has focused on post-trial inference using ECs, their role in prospective trial design remains less explored. We address this gap by focusing on the sample size determination and power analysis for an experimental design problem that encompasses standard randomized controlled trials (RCTs), hybrid trials, and single-arm trials. Building on estimators derived from the efficient influence function, we develop hybrid and single-arm design strategies that leverage comparable EC data to reduce the required sample size of the current study. We derive asymptotic variance expressions for these estimators in terms of interpretable, population-level quantities and introduce a pre-experimental variance estimation procedure to guide sample size calculation, ensuring prespecified type I error and power for the relevant hypothesis test. Simulation studies demonstrate that the proposed hybrid and single-arm designs maintain valid type I error and achieve target power across diverse scenarios while requiring substantially fewer subjects in the current study than RCT designs. A real data application further illustrates the practical utility and advantages of the proposed hybrid and single-arm designs.

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Augmented match weighted estimators for average treatment effects

Propensity score matching (PSM) and augmented inverse propensity weighting (AIPW) are widely used in observational studies to estimate causal effects. The two approaches present complementary features. The AIPW estimator is doubly robust and locally efficient but can be unstable when the propensity scores are close to zero or one due to weighting by the inverse of the propensity score. On the other hand, PSM circumvents the instability of propensity score weighting but it hinges on the correctness of the propensity score model and cannot attain the semiparametric efficiency bound. Besides, the fixed number of matches, K, renders PSM nonsmooth and thus invalidates standard nonparametric bootstrap inference. This article presents novel augmented match weighted (AMW) estimators that combine the advantages of matching and weighting estimators. AMW adheres to the form of AIPW for its double robustness and local efficiency but it mitigates the instability due to weighting. We replace inverse propensity weights with matching weights resulting from PSM with unfixed K. Meanwhile, we propose a new cross-validation procedure to select K that minimizes the mean squared error anchored around an unbiased estimator of the causal estimand. Besides, we derive the limiting distribution for the AMW estimators showing that they enjoy the double robustness property and can achieve the semiparametric efficiency bound if both nuisance models are correct. As a byproduct of unfixed K which smooths the AMW estimators, nonparametric bootstrap can be adopted for variance estimation and inference. Furthermore, simulation studies and real data applications support that the AMW estimators are stable with extreme propensity scores and their variances can be obtained by naive bootstrap.

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Why Reasoning Matters? A Survey of Advancements in Multimodal Reasoning (v1)

Reasoning is central to human intelligence, enabling structured problem-solving across diverse tasks. Recent advances in large language models (LLMs) have greatly enhanced their reasoning abilities in arithmetic, commonsense, and symbolic domains. However, effectively extending these capabilities into multimodal contexts-where models must integrate both visual and textual inputs-continues to be a significant challenge. Multimodal reasoning introduces complexities, such as handling conflicting information across modalities, which require models to adopt advanced interpretative strategies. Addressing these challenges involves not only sophisticated algorithms but also robust methodologies for evaluating reasoning accuracy and coherence. This paper offers a concise yet insightful overview of reasoning techniques in both textual and multimodal LLMs. Through a thorough and up-to-date comparison, we clearly formulate core reasoning challenges and opportunities, highlighting practical methods for post-training optimization and test-time inference. Our work provides valuable insights and guidance, bridging theoretical frameworks and practical implementations, and sets clear directions for future research.

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Heterogeneity-Aware Federated Causal Inference Leveraging Effect-Measure Transportability

Federated learning of causal estimands offers a powerful strategy to improve estimation efficiency by leveraging data from multiple study sites while preserving privacy. Existing literature has primarily focused on the average treatment effect using single data source, whereas our work addresses a broader class of causal measures across multiple sources. We derive and compare semiparametrically efficient estimators under two transportability assumptions, which impose different restrictions on the data likelihood and illustrate the efficiency-robustness tradeoff. This estimator also permits the incorporation of flexible machine learning algorithms for nuisance functions while maintaining parametric convergence rates and nominal coverage. To further handle scenarios where some source sites violate transportability, we propose a Post-Federated Weighting Selection (PFWS) framework, which is a two-step procedure that adaptively identifies compatible sites and achieves the semiparametric efficiency bound asymptotically. This framework mitigates the efficiency loss of weighting methods and the instability and computational burden of direct site selection in finite samples. Through extensive simulations and real-data analysis, we demonstrate that our PFWS framework achieves superior variance efficiency compared with the target-only analyses across diverse transportability scenarios.

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