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 Statistical Learning


Model Directions, Not Words: Mechanistic Topic Models Using Sparse Autoencoders

arXiv.org Artificial Intelligence

Traditional topic models are effective at uncovering latent themes in large text collections. However, due to their reliance on bag-of-words representations, they struggle to capture semantically abstract features. While some neural variants use richer representations, they are similarly constrained by expressing topics as word lists, which limits their ability to articulate complex topics. We introduce Mechanistic Topic Models (MTMs), a class of topic models that operate on interpretable features learned by sparse autoencoders (SAEs). By defining topics over this semantically rich space, MTMs can reveal deeper conceptual themes with expressive feature descriptions. Moreover, uniquely among topic models, MTMs enable controllable text generation using topic-based steering vectors. To properly evaluate MTM topics against word-list-based approaches, we propose \textit{topic judge}, an LLM-based pairwise comparison evaluation framework. Across five datasets, MTMs match or exceed traditional and neural baselines on coherence metrics, are consistently preferred by topic judge, and enable effective steering of LLM outputs.


An Information Bottleneck Asset Pricing Model

arXiv.org Artificial Intelligence

Deep neural networks (DNNs) have garnered significant attention in financial asset pricing, due to their strong capacity for modeling complex nonlinear relationships within financial data. However, sophisticated models are prone to over-fitting to the noise information in financial data, resulting in inferior performance. To address this issue, we propose an information bottleneck asset pricing model that compresses data with low signal-to-noise ratios to eliminate redundant information and retain the critical information for asset pricing. Our model imposes constraints of mutual information during the nonlinear mapping process. Specifically, we progressively reduce the mutual information between the input data and the compressed representation while increasing the mutual information between the compressed representation and the output prediction. The design ensures that irrelevant information, which is essentially the noise in the data, is forgotten during the modeling of financial nonlinear relationships without affecting the final asset pricing. By leveraging the constraints of the Information bottleneck, our model not only harnesses the nonlinear modeling capabilities of deep networks to capture the intricate relationships within financial data but also ensures that noise information is filtered out during the information compression process.


On the Complexity of Finding Stationary Points in Nonconvex Simple Bilevel Optimization

arXiv.org Artificial Intelligence

In this paper, we study the problem of solving a simple bilevel optimization problem, where the upper-level objective is minimized over the solution set of the lower-level problem. We focus on the general setting in which both the upper- and lower-level objectives are smooth but potentially nonconvex. Due to the absence of additional structural assumptions for the lower-level objective-such as convexity or the Polyak-ลojasiewicz (PL) condition-guaranteeing global optimality is generally intractable. Instead, we introduce a suitable notion of stationarity for this class of problems and aim to design a first-order algorithm that finds such stationary points in polynomial time. Intuitively, stationarity in this setting means the upper-level objective cannot be substantially improved locally without causing a larger deterioration in the lower-level objective. To this end, we show that a simple and implementable variant of the dynamic barrier gradient descent (DBGD) framework can effectively solve the considered nonconvex simple bilevel problems up to stationarity. Specifically, to reach an $(ฮต_f, ฮต_g)$-stationary point-where $ฮต_f$ and $ฮต_g$ denote the target stationarity accuracies for the upper- and lower-level objectives, respectively-the considered method achieves a complexity of $\mathcal{O}\left(\max\left(ฮต_f^{-\frac{3+p}{1+p}}, ฮต_g^{-\frac{3+p}{2}}\right)\right)$, where $p \geq 0$ is an arbitrary constant balancing the terms. To the best of our knowledge, this is the first complexity result for a discrete-time algorithm that guarantees joint stationarity for both levels in general nonconvex simple bilevel problems.


Observational Multiplicity

arXiv.org Artificial Intelligence

Many prediction tasks can admit multiple models that can perform almost equally well. This phenomenon can can undermine interpretability and safety when competing models assign conflicting predictions to individuals. In this work, we study how arbitrariness can arise in probabilistic classification tasks as a result of an effect that we call \emph{observational multiplicity}. We discuss how this effect arises in a broad class of practical applications where we learn a classifier to predict probabilities $p_i \in [0,1]$ but are given a dataset of observations $y_i \in \{0,1\}$. We propose to evaluate the arbitrariness of individual probability predictions through the lens of \emph{regret}. We introduce a measure of regret for probabilistic classification tasks, which measures how the predictions of a model could change as a result of different training labels change. We present a general-purpose method to estimate the regret in a probabilistic classification task. We use our measure to show that regret is higher for certain groups in the dataset and discuss potential applications of regret. We demonstrate how estimating regret promote safety in real-world applications by abstention and data collection.


Prediction of Significant Creatinine Elevation in First ICU Stays with Vancomycin Use: A retrospective study through Catboost

arXiv.org Artificial Intelligence

Background: Vancomycin, a key antibiotic for severe Gram-positive infections in ICUs, poses a high nephrotoxicity risk. Early prediction of kidney injury in critically ill patients is challenging. This study aimed to develop a machine learning model to predict vancomycin-related creatinine elevation using routine ICU data. Methods: We analyzed 10,288 ICU patients (aged 18-80) from the MIMIC-IV database who received vancomycin. Kidney injury was defined by KDIGO criteria (creatinine rise >=0.3 mg/dL within 48h or >=50% within 7d). Features were selected via SelectKBest (top 30) and Random Forest ranking (final 15). Six algorithms were tested with 5-fold cross-validation. Interpretability was evaluated using SHAP, Accumulated Local Effects (ALE), and Bayesian posterior sampling. Results: Of 10,288 patients, 2,903 (28.2%) developed creatinine elevation. CatBoost performed best (AUROC 0.818 [95% CI: 0.801-0.834], sensitivity 0.800, specificity 0.681, negative predictive value 0.900). Key predictors were phosphate, total bilirubin, magnesium, Charlson index, and APSIII. SHAP confirmed phosphate as a major risk factor. ALE showed dose-response patterns. Bayesian analysis estimated mean risk 60.5% (95% credible interval: 16.8-89.4%) in high-risk cases. Conclusions: This machine learning model predicts vancomycin-associated creatinine elevation from routine ICU data with strong accuracy and interpretability, enabling early risk detection and supporting timely interventions in critical care.


SigBERT: Combining Narrative Medical Reports and Rough Path Signature Theory for Survival Risk Estimation in Oncology

arXiv.org Artificial Intelligence

Electronic medical reports (EHR) contain a vast amount of information that can be leveraged for machine learning applications in healthcare. However, existing survival analysis methods often struggle to effectively handle the complexity of textual data, particularly in its sequential form. Here, we propose SigBERT, an innovative temporal survival analysis framework designed to efficiently process a large number of clinical reports per patient. SigBERT processes timestamped medical reports by extracting and averaging word embeddings into sentence embeddings. To capture temporal dynamics from the time series of sentence embedding coordinates, we apply signature extraction from rough path theory to derive geometric features for each patient, which significantly enhance survival model performance by capturing complex temporal dynamics. These features are then integrated into a LASSO-penalized Cox model to estimate patient-specific risk scores. The model was trained and evaluated on a real-world oncology dataset from the Lรฉon Bรฉrard Center corpus, with a C-index score of 0.75 (sd 0.014) on the independent test cohort. SigBERT integrates sequential medical data to enhance risk estimation, advancing narrative-based survival analysis.


A Language Model-Driven Semi-Supervised Ensemble Framework for Illicit Market Detection Across Deep/Dark Web and Social Platforms

arXiv.org Artificial Intelligence

Illegal marketplaces have increasingly shifted to concealed parts of the internet, including the deep and dark web, as well as platforms such as Telegram, Reddit, and Pastebin. These channels enable the anonymous trade of illicit goods including drugs, weapons, and stolen credentials. Detecting and categorizing such content remains challenging due to limited labeled data, the evolving nature of illicit language, and the structural heterogeneity of online sources. This paper presents a hierarchical classification framework that combines fine-tuned language models with a semi-supervised ensemble learning strategy to detect and classify illicit marketplace content across diverse platforms. We extract semantic representations using ModernBERT, a transformer model for long documents, finetuned on domain-specific data from deep and dark web pages, Telegram channels, Subreddits, and Pastebin pastes to capture specialized jargon and ambiguous linguistic patterns. In addition, we incorporate manually engineered features such as document structure, embedded patterns including Bitcoin addresses, emails, and IPs, and metadata, which complement language model embeddings. The classification pipeline operates in two stages. The first stage uses a semi-supervised ensemble of XGBoost, Random Forest, and SVM with entropy-based weighted voting to detect sales-related documents. The second stage further classifies these into drug, weapon, or credential sales. Experiments on three datasets, including our multi-source corpus, DUTA, and CoDA, show that our model outperforms several baselines, including BERT, ModernBERT, DarkBERT, ALBERT, Longformer, and BigBird. The model achieves an accuracy of 0.96489, an F1-score of 0.93467, and a TMCC of 0.95388, demonstrating strong generalization, robustness under limited supervision, and effectiveness in real-world illicit content detection.


DNN-based Methods of Jointly Sensing Number and Directions of Targets via a Green Massive H2AD MIMO Receiver

arXiv.org Artificial Intelligence

As a green MIMO structure, the heterogeneous hybrid analog-digital H2AD MIMO architecture has been shown to own a great potential to replace the massive or extremely large-scale fully-digital MIMO in the future wireless networks to address the three challenging problems faced by the latter: high energy consumption, high circuit cost, and high complexity. However, how to intelligently sense the number and direction of multi-emitters via such a structure is still an open hard problem. To address this, we propose a two-stage sensing framework that jointly estimates the number and direction values of multiple targets. Specifically, three target number sensing methods are designed: an improved eigen-domain clustering (EDC) framework, an enhanced deep neural network (DNN) based on five key statistical features, and an improved one-dimensional convolutional neural network (1D-CNN) utilizing full eigenvalues. Subsequently, a low-complexity and high-accuracy DOA estimation is achieved via the introduced online micro-clustering (OMC-DOA) method. Furthermore, we derive the Cramรฉr-Rao lower bound (CRLB) for the H2AD under multiple-source conditions as a theoretical performance benchmark. Simulation results show that the developed three methods achieve 100\% number of targets sensing at moderate-to-high SNRs, while the improved 1D-CNN exhibits superior under extremely-low SNR conditions. The introduced OMC-DOA outperforms existing clustering and fusion-based DOA methods in multi-source environments.


MolPIF: A Parameter Interpolation Flow Model for Molecule Generation

arXiv.org Artificial Intelligence

Bayesian Flow Networks (BFNs) have recently shown impressive performance across diverse chemical tasks, with their success often ascribed to the paradigm of modeling in a low-variance parameter space. However, the Bayesian inference-based strategy imposes limitations on designing more flexible distribution transformation pathways, making it challenging to adapt to diverse data distributions and varied task requirements. Furthermore, the potential for simpler, more efficient parameter-space-based models is unexplored. To address this, we propose a novel Parameter Interpolation Flow model (named PIF) with detailed theoretical foundation, training, and inference procedures. We then develop MolPIF for structure-based drug design, demonstrating its superior performance across diverse metrics compared to baselines. This work validates the effectiveness of parameter-space-based generative modeling paradigm for molecules and offers new perspectives for model design.


Recursive Learning-Based Virtual Buffering for Analytical Global Placement

arXiv.org Artificial Intelligence

--With scaling of interconnect versus gate delays in advanced technology nodes, placement with buffer porosity awareness is essential for timing closure in physical synthesis flows. However, existing approaches face two key challenges: (i) traditional van Ginneken-Lillis-style buffering approaches [20], [27] are computationally expensive during global placement; and (ii) machine learning-based approaches, such as BufFormer [18], omit important Electrical Rule Check (ERC) considerations and typically fail to "close the loop" back into the physical design flow. In this work, we propose MLBuf-RePlAce, an open-source learning-driven virtual buffering-aware analytical global placement framework, built on top of the OpenROAD infrastructure [34]. MLBuf-RePlAce adopts an efficient recursive learning-based generative buffering approach to predict buffer types and locations, addressing ERC violations during global placement. We compare MLBuf-RePlAce against the default virtual buffering-based timing-driven global placer in OpenROAD, using open-source testcases from the TILOS MacroPlacement [36] and OpenROAD-flow-scripts [33] repositories. Without degradation of post-route power, MLBuf-RePlAce achieves (maximum, average) improvements of (56%, 31%) in total negative slack (TNS) within the open-source OpenROAD flow. When evaluated by completion in a commercial flow, MLBuf-RePlAce achieves (maximum, average) improvements of (53%, 28%) in TNS with an average of 0.2% improvement in post-route power . Global placement is a critical step in VLSI physical design. State-of-the-art analytical global placers [8] [11] [14] [22] typically adopt the electrostatics-based placement approach [23], formulating global placement as nonlinear programming under density constraints. Additionally, for design implementation in advanced technology nodes, timing closure requires extensive buffer insertion [18] and brings a complex interplay with global placement.