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Can we globally optimize cross-validation loss? Quasiconvexity in ridge regression

Neural Information Processing Systems

Models like LASSO and ridge regression are extensively used in practice due to their interpretability, ease of use, and strong theoretical guarantees. Cross-validation (CV) is widely used for hyperparameter tuning in these models, but do practical methods minimize the true out-of-sample loss? A recent line of research promises to show that the optimum of the CV loss matches the optimum of the out-of-sample loss (possibly after simple corrections). It remains to show how tractable it is to minimize the CV loss.In the present paper, we show that, in the case of ridge regression, the CV loss may fail to be quasiconvex and thus may have multiple local optima. We can guarantee that the CV loss is quasiconvex in at least one case: when the spectrum of the covariate matrix is nearly flat and the noise in the observed responses is not too high.


From MAP to Marginals: Variational Inference in Bayesian Submodular Models

Neural Information Processing Systems

Submodular optimization has found many applications in machine learning and beyond. We carry out the first systematic investigation of inference in probabilistic models defined through submodular functions, generalizing regular pairwise MRFs and Determinantal Point Processes.


Export Reviews, Discussions, Author Feedback and Meta-Reviews

Neural Information Processing Systems

We thank the reviewers for their insightful comments, and will address the issues raised and questions asked as much as possible in this author response. Several reviewers made comments about the figures, and in particularly Fig.5. In the final version we will (i) make sure all figures are clear in B/W; (ii) provide separate captions for the left and right figures; (iii) move Fig.5 to the main paper; (iv) clearly explain all models used in the experiment. In his paper Hand set out to relate AUC to expected misclassification loss under varying cost proportions, but the derived relation was model-dependent as it assumed optimal decision thresholds only. It has since been shown that if thresholds are aggregated in a different way the model dependence vanishes and AUC can be translated into expected loss, see citation [7] in the paper.


SPeCtrum: A Grounded Framework for Multidimensional Identity Representation in LLM-Based Agent

arXiv.org Artificial Intelligence

Existing methods for simulating individual identities often oversimplify human complexity, which may lead to incomplete or flattened representations. To address this, we introduce SPeCtrum, a grounded framework for constructing authentic LLM agent personas by incorporating an individual's multidimensional self-concept. SPeCtrum integrates three core components: Social Identity (S), Personal Identity (P), and Personal Life Context (C), each contributing distinct yet interconnected aspects of identity. To evaluate SPeCtrum's effectiveness in identity representation, we conducted automated and human evaluations. Automated evaluations using popular drama characters showed that Personal Life Context (C)-derived from short essays on preferences and daily routines-modeled characters' identities more effectively than Social Identity (S) and Personal Identity (P) alone and performed comparably to the full SPC combination. In contrast, human evaluations involving real-world individuals found that the full SPC combination provided a more comprehensive self-concept representation than C alone. Our findings suggest that while C alone may suffice for basic identity simulation, integrating S, P, and C enhances the authenticity and accuracy of real-world identity representation. Overall, SPeCtrum offers a structured approach for simulating individuals in LLM agents, enabling more personalized human-AI interactions and improving the realism of simulation-based behavioral studies.


Data Sensor Fusion In Digital Twin Technology For Enhanced Capabilities In A Home Environment

arXiv.org Artificial Intelligence

This paper investigates the integration of data sensor fusion in digital twin technology to bolster home environment capabilities, particularly in the context of challenges brought on by the coronavirus pandemic and its economic effects. The study underscores the crucial role of digital transformation in not just adapting to, but also mitigating disruptions during the fourth industrial revolution. Using the Wit Motion sensor, data was collected for activities such as walking, working, sitting, and lying, with sensors measuring accelerometers, gyroscopes, and magnetometers. The research integrates Cyber-physical systems, IoT, AI, and robotics to fortify digital twin capabilities. The paper compares sensor fusion methods, including feature-level fusion, decision-level fusion, and Kalman filter fusion, alongside machine learning models like SVM, GBoost, and Random Forest to assess model effectiveness. Results show that sensor fusion significantly improves the accuracy and reliability of these models, as it compensates for individual sensor weaknesses, particularly with magnetometers. Despite higher accuracy in ideal conditions, integrating data from multiple sensors ensures more consistent and reliable results in real-world settings, thereby establishing a robust system that can be confidently applied in practical scenarios.


SymGPT: Auditing Smart Contracts via Combining Symbolic Execution with Large Language Models

arXiv.org Artificial Intelligence

To govern smart contracts running on Ethereum, multiple Ethereum Request for Comment (ERC) standards have been developed, each having a set of rules to guide the behaviors of smart contracts. Violating the ERC rules could cause serious security issues and financial loss, signifying the importance of verifying smart contracts follow ERCs. Today's practices of such verification are to manually audit each single contract, use expert-developed program-analysis tools, or use large language models (LLMs), all of which are far from effective in identifying ERC rule violations. This paper introduces SymGPT, a tool that combines the natural language understanding of large language models (LLMs) with the formal guarantees of symbolic execution to automatically verify smart contracts' compliance with ERC rules. To develop SymGPT, we conduct an empirical study of 132 ERC rules from three widely used ERC standards, examining their content, security implications, and natural language descriptions. Based on this study, we design SymGPT by first instructing an LLM to translate ERC rules into a defined EBNF grammar. We then synthesize constraints from the formalized rules to represent scenarios where violations may occur and use symbolic execution to detect them. Our evaluation shows that SymGPT identifies 5,783 ERC rule violations in 4,000 real-world contracts, including 1,375 violations with clear attack paths for stealing financial assets, demonstrating its effectiveness. Furthermore, SymGPT outperforms six automated techniques and a security-expert auditing service, underscoring its superiority over current smart contract analysis methods.


A Comprehensive Survey on Imbalanced Data Learning

arXiv.org Artificial Intelligence

With the expansion of data availability, machine learning (ML) has achieved remarkable breakthroughs in both academia and industry. However, imbalanced data distributions are prevalent in various types of raw data and severely hinder the performance of ML by biasing the decision-making processes. To deepen the understanding of imbalanced data and facilitate the related research and applications, this survey systematically analyzing various real-world data formats and concludes existing researches for different data formats into four distinct categories: data re-balancing, feature representation, training strategy, and ensemble learning. This structured analysis help researchers comprehensively understand the pervasive nature of imbalance across diverse data format, thereby paving a clearer path toward achieving specific research goals. we provide an overview of relevant open-source libraries, spotlight current challenges, and offer novel insights aimed at fostering future advancements in this critical area of study.


On the Role of Pre-trained Embeddings in Binary Code Analysis

arXiv.org Artificial Intelligence

Deep learning has enabled remarkable progress in binary code analysis. In particular, pre-trained embeddings of assembly code have become a gold standard for solving analysis tasks, such as measuring code similarity or recognizing functions. These embeddings are capable of learning a vector representation from unlabeled code. In contrast to natural language processing, however, label information is not scarce for many tasks in binary code analysis. For example, labeled training data for function boundaries, optimization levels, and argument types can be easily derived from debug information provided by a compiler. Consequently, the main motivation of embeddings does not transfer directly to binary code analysis. In this paper, we explore the role of pre-trained embeddings from a critical perspective. To this end, we systematically evaluate recent embeddings for assembly code on five downstream tasks using a corpus of 1.2 million functions from the Debian distribution. We observe that several embeddings perform similarly when sufficient labeled data is available, and that differences reported in prior work are hardly noticeable. Surprisingly, we find that end-to-end learning without pre-training performs best on average, which calls into question the need for specialized embeddings. By varying the amount of labeled data, we eventually derive guidelines for when embeddings offer advantages and when end-to-end learning is preferable for binary code analysis.


UniZyme: A Unified Protein Cleavage Site Predictor Enhanced with Enzyme Active-Site Knowledge

arXiv.org Artificial Intelligence

Enzyme-catalyzed protein cleavage is essential for many biological functions. Accurate prediction of cleavage sites can facilitate various applications such as drug development, enzyme design, and a deeper understanding of biological mechanisms. However, most existing models are restricted to an individual enzyme, which neglects shared knowledge of enzymes and fails generalize to novel enzymes. Thus, we introduce a unified protein cleavage site predictor named UniZyme, which can generalize across diverse enzymes. To enhance the enzyme encoding for the protein cleavage site prediction, UniZyme employs a novel biochemically-informed model architecture along with active-site knowledge of proteolytic enzymes. Extensive experiments demonstrate that UniZyme achieves high accuracy in predicting cleavage sites across a range of proteolytic enzymes, including unseen enzymes. The code is available in https://anonymous.4open.science/r/UniZyme-4A67.


CRISP: A Framework for Cryo-EM Image Segmentation and Processing with Conditional Random Field

arXiv.org Artificial Intelligence

Differentiating signals from the background in micrographs is a critical initial step for cryogenic electron microscopy (cryo-EM), yet it remains laborious due to low signal-to-noise ratio (SNR), the presence of contaminants and densely packed particles of varying sizes. Although image segmentation has recently been introduced to distinguish particles at the pixel level, the low SNR complicates the automated generation of accurate annotations for training supervised models. Moreover, platforms for systematically comparing different design choices in pipeline construction are lacking. Thus, a modular framework is essential to understand the advantages and limitations of this approach and drive further development. To address these challenges, we present a pipeline that automatically generates high-quality segmentation maps from cryo-EM data to serve as ground truth labels. Our modular framework enables the selection of various segmentation models and loss functions. We also integrate Conditional Random Fields (CRFs) with different solvers and feature sets to refine coarse predictions, thereby producing fine-grained segmentation. This flexibility facilitates optimal configurations tailored to cryo-EM datasets. When trained on a limited set of micrographs, our approach achieves over 90% accuracy, recall, precision, Intersection over Union (IoU), and F1-score on synthetic data. Furthermore, to demonstrate our framework's efficacy in downstream analyses, we show that the particles extracted by our pipeline produce 3D density maps with higher resolution than those generated by existing particle pickers on real experimental datasets, while achieving performance comparable to that of manually curated datasets from experts.