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 Statistical Learning


FairMT: Fairness for Heterogeneous Multi-Task Learning

arXiv.org Artificial Intelligence

Fairness in machine learning has been extensively studied in single-task settings, while fair multi-task learning (MTL), especially with heterogeneous tasks (classification, detection, regression) and partially missing labels, remains largely unexplored. Existing fairness methods are predominantly classification-oriented and fail to extend to continuous outputs, making a unified fairness objective difficult to formulate. Further, existing MTL optimization is structurally misaligned with fairness: constraining only the shared representation, allowing task heads to absorb bias and leading to uncontrolled task-specific disparities. Finally, most work treats fairness as a zero-sum trade-off with utility, enforcing symmetric constraints that achieve parity by degrading well-served groups. We introduce FairMT, a unified fairness-aware MTL framework that accommodates all three task types under incomplete supervision. At its core is an Asymmetric Heterogeneous Fairness Constraint Aggregation mechanism, which consolidates task-dependent asymmetric violations into a unified fairness constraint. Utility and fairness are jointly optimized via a primal--dual formulation, while a head-aware multi-objective optimization proxy provides a tractable descent geometry that explicitly accounts for head-induced anisotropy. Across three homogeneous and heterogeneous MTL benchmarks encompassing diverse modalities and supervision regimes, FairMT consistently achieves substantial fairness gains while maintaining superior task utility. Code will be released upon paper acceptance.


From Coefficients to Directions: Rethinking Model Merging with Directional Alignment

arXiv.org Artificial Intelligence

Model merging has emerged as a practical paradigm for integrating multiple independently trained models into a single model without joint retraining. Previous studies have demonstrated the effectiveness of combining parameters through strategies such as parameter decomposition, coefficient optimization, and subspace learning, significantly reducing the need for expensive joint training and achieving strong empirical performance across diverse tasks. However, these approaches predominantly treat merging as a problem of parameter space decomposition or fusion coefficient optimization, while overlooking the critical role of directional information in both parameter and feature spaces. In practice, naรฏve merging introduces inconsistencies in dominant parameter directions and disrupts structural coherence across models, which can degrade performance. Moreover, coefficient-based optimization methods implicitly assume compatible feature-space directions across models. However, Neural Collapse indicates that class features follow structured directional patterns, which may differ across independently trained models, making coefficient optimization alone insufficient. In this work, we emphasize the importance of \emph{directional alignment} and introduce a unified geometric framework, \emph{Merging with Directional Alignment} (\method{}), which aligns directional structures consistently in both the parameter and feature spaces. Our analysis shows that directional alignment improves structural coherence, and extensive experiments across benchmarks, model scales, and task configurations further validate the effectiveness of our approach.


EnzyCLIP: A Cross-Attention Dual Encoder Framework with Contrastive Learning for Predicting Enzyme Kinetic Constants

arXiv.org Artificial Intelligence

Accurate prediction of enzyme kinetic parameters is crucial for drug discovery, metabolic engineering, and synthetic biology applications. Current computational approaches face limitations in capturing complex enzyme-substrate interactions and often focus on single parameters while neglecting the joint prediction of catalytic turnover numbers (Kcat) and Michaelis-Menten constants (Km). We present EnzyCLIP, a novel dual-encoder framework that leverages contrastive learning and cross-attention mechanisms to predict enzyme kinetic parameters from protein sequences and substrate molecular structures. Our approach integrates ESM-2 protein language model embeddings with ChemBERTa chemical representations through a CLIP-inspired architecture enhanced with bidirectional cross-attention for dynamic enzyme-substrate interaction modeling. EnzyCLIP combines InfoNCE contrastive loss with Huber regression loss to learn aligned multimodal representations while predicting log10-transformed kinetic parameters. The model is trained on the CatPred-DB database containing 23,151 Kcat and 41,174 Km experimentally validated measurements, and achieved competitive performance with R2 scores of 0.593 for Kcat and 0.607 for Km prediction. XGBoost ensemble methods applied to the learned embeddings further improved Km prediction (R2 = 0.61) while maintaining robust Kcat performance.


Layer Probing Improves Kinase Functional Prediction with Protein Language Models

arXiv.org Artificial Intelligence

Protein language models (PLMs) have transformed sequence-based protein analysis, yet most applications rely only on final-layer embeddings, which may overlook biologically meaningful information encoded in earlier layers. We systematically evaluate all 33 layers of ESM-2 for kinase functional prediction using both unsupervised clustering and supervised classification. We show that mid-to-late transformer layers (layers 20-33) outperform the final layer by 32 percent in unsupervised Adjusted Rand Index and improve homology-aware supervised accuracy to 75.7 percent. Domain-level extraction, calibrated probability estimates, and a reproducible benchmarking pipeline further strengthen reliability. Our results demonstrate that transformer depth contains functionally distinct biological signals and that principled layer selection significantly improves kinase function prediction.


Adaptive prediction theory combining offline and online learning

arXiv.org Artificial Intelligence

Real-world intelligence systems usually operate by combining offline learning and online adaptation with highly correlated and non-stationary system data or signals, which, however, has rarely been investigated theoretically in the literature. This paper initiates a theoretical investigation on the prediction performance of a two-stage learning framework combining offline and online algorithms for a class of nonlinear stochastic dynamical systems. For the offline-learning phase, we establish an upper bound on the generalization error for approximate nonlinear-least-squares estimation under general datasets with strong correlation and distribution shift, leveraging the Kullback-Leibler divergence to quantify the distributional discrepancies. For the online-adaptation phase, we address, on the basis of the offline-trained model, the possible uncertain parameter drift in real-world target systems by proposing a meta-LMS prediction algorithm. This two-stage framework, integrating offline learning with online adaptation, demonstrates superior prediction performances compared with either purely offline or online methods. Both theoretical guarantees and empirical studies are provided.


Introducing AI-Driven IoT Energy Management Framework

arXiv.org Artificial Intelligence

Power consumption has become a critical aspect of modern life due to the consistent reliance on technological advancements. Reducing power consumption or following power usage predictions can lead to lower monthly costs and improved electrical reliability. The proposal of a holistic framework to establish a foundation for IoT systems with a focus on contextual decision making, proactive adaptation, and scalable structure. A structured process for IoT systems with accuracy and interconnected development would support reducing power consumption and support grid stability. This study presents the feasibility of this proposal through the application of each aspect of the framework. This system would have long term forecasting, short term forecasting, anomaly detection, and consideration of qualitative data with any energy management decisions taken. Performance was evaluated on Power Consumption Time Series data to display the direct application of the framework.


Challenges of Heterogeneity in Big Data: A Comparative Study of Classification in Large-Scale Structured and Unstructured Domains

arXiv.org Artificial Intelligence

This study analyzes the impact of heterogeneity ("Variety") in Big Data by comparing classification strategies across structured (Epsilon) and unstructured (Rest-Mex, IMDB) domains. A dual methodology was implemented: evolutionary and Bayesian hyperparameter optimization (Genetic Algorithms, Optuna) in Python for numerical data, and distributed processing in Apache Spark for massive textual corpora. The results reveal a "complexity paradox": in high-dimensional spaces, optimized linear models (SVM, Logistic Regression) outperformed deep architectures and Gradient Boosting. Conversely, in text-based domains, the constraints of distributed fine-tuning led to overfitting in complex models, whereas robust feature engineering -- specifically Transformer-based embeddings (ROBERTa) and Bayesian Target Encoding -- enabled simpler models to generalize effectively. This work provides a unified framework for algorithm selection based on data nature and infrastructure constraints.


RadDiff: Retrieval-Augmented Denoising Diffusion for Protein Inverse Folding

arXiv.org Artificial Intelligence

Protein inverse folding, the design of an amino acid sequence based on a target 3D structure, is a fundamental problem of computational protein engineering. Existing methods either generate sequences without leveraging external knowledge or relying on protein language models (PLMs). The former omits the evolutionary information stored in protein databases, while the latter is parameter-inefficient and inflexible to adapt to ever-growing protein data. To overcome the above drawbacks, in this paper we propose a novel method, called r etrieval-a ugmented d enoising diff usion (RadDiff), for protein inverse folding. Given the target protein backbone, RadDiff uses a hierarchical search strategy to efficiently retrieve structurally similar proteins from large protein databases. The retrieved structures are then aligned residue-by-residue to the target to construct a position-specific amino acid profile, which serves as an evolutionary-informed prior that conditions the denoising process. A lightweight integration module is further designed to incorporate this prior effectively. Experimental results on the CA TH, PDB, and TS50 datasets show that RadDiff consistently outperforms existing methods, improving sequence recovery rate by up to 19%. Experimental results also demonstrate that RadDiff generates highly foldable sequences and scales effectively with database size. Proteins are the molecular machines of life, executing a vast array of biological functions dictated by their three-dimensional (3D) structures (Koehler Leman et al., 2023).


Hyper-GoalNet: Goal-Conditioned Manipulation Policy Learning with HyperNetworks

arXiv.org Artificial Intelligence

Goal-conditioned policy learning for robotic manipulation presents significant challenges in maintaining performance across diverse objectives and environments. We introduce Hyper-GoalNet, a framework that generates task-specific policy network parameters from goal specifications using hypernetworks. Unlike conventional methods that simply condition fixed networks on goal-state pairs, our approach separates goal interpretation from state processing -- the former determines network parameters while the latter applies these parameters to current observations. To enhance representation quality for effective policy generation, we implement two complementary constraints on the latent space: (1) a forward dynamics model that promotes state transition predictability, and (2) a distance-based constraint ensuring monotonic progression toward goal states. We evaluate our method on a comprehensive suite of manipulation tasks with varying environmental randomization. Results demonstrate significant performance improvements over state-of-the-art methods, particularly in high-variability conditions. Real-world robotic experiments further validate our method's robustness to sensor noise and physical uncertainties. Code is available at: https://github.com/wantingyao/hyper-goalnet.


From Topology to Retrieval: Decoding Embedding Spaces with Unified Signatures

arXiv.org Artificial Intelligence

Studying how embeddings are organized in space not only enhances model interpretability but also uncovers factors that drive downstream task performance. In this paper, we present a comprehensive analysis of topological and geometric measures across a wide set of text embedding models and datasets. We find a high degree of redundancy among these measures and observe that individual metrics often fail to sufficiently differentiate embedding spaces. Building on these insights, we introduce Unified Topological Signatures (UTS), a holistic framework for characterizing embedding spaces. We show that UTS can predict model-specific properties and reveal similarities driven by model architecture. Further, we demonstrate the utility of our method by linking topological structure to ranking effectiveness and accurately predicting document retrievability. We find that a holistic, multi-attribute perspective is essential to understanding and leveraging the geometry of text embeddings.